TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.1271   -4.3729    0.0000 C   0  0
   -6.5954   -4.6799    0.0000 C   0  0
   -7.5954   -3.5619    0.0000 C   0  0
   -7.1272   -2.1369    0.0000 C   0  0
   -5.6590   -1.8298    0.0000 C   0  0
   -9.0636   -3.8690    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248    1.2135    0.0000 N   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
  9 18  1  0
 18 19  2  0
 18 20  1  0
 20  6  1  0
  4 21  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15296

> <plate>
PLATE 001

> <well>
A2

> <supplier_cmpd_name>
RPI-1

> <ctcr_id>
11398

> <supplier_cmpd_id>
T2282

> <smiles>
COc1c(cc2c(c1)/C(=C/c1ccc(cc1)O)/C(=O)N2)OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{PI,RPI-1,RPI1,269730-03-2,269730032,"1,3-Dihydro-3-((4-hydroxyphenyl)methylene)-5,6-dimethoxy-2H-indol-2-one","1,3Dihydro3((4hydroxyphenyl)methylene)5,6dimethoxy2Hindol2one","(3Z)-3-((4-hydroxyphenyl
)methylidene)-5,6-dimethoxy-1H-indol-2-one","(3Z)3((4hydroxyphenyl)methylidene)5,6dimethoxy1Hindol2one",SCHEMBL4100999,AOB5026,BCP08977,EX-A2374,EXA2374,ZINC5958728,MFCD03852474,">=98 (HPL",T2282}

> <pdid>
PD039786

> <targets>
{Met,RET,CTND1,DCDB2,PLC¦Ã}

> <classes>
{Apoptosis,Metabolism,Others,Tyrosine Kinase/Adaptors,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{1749978}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
   12.3047   -1.2593    0.0000 O   0  0
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.3382   -2.9741    0.0000 S   0  0
    6.8047   -3.2855    0.0000 C   0  0
    7.5547   -4.5845    0.0000 C   0  0
    9.0547   -4.5845    0.0000 C   0  0
    9.8047   -3.2855    0.0000 C   0  0
    9.0547   -1.9864    0.0000 C   0  0
    7.5547   -1.9865    0.0000 C   0  0
    6.5517   -0.8722    0.0000 C   0  0
    6.8522    0.5955    0.0000 C   0  0
    7.1530    2.0651    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  2  0
 12 13  1  0
 13  5  2  0
 13 14  1  0
 14 15  3  0
  3 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 16  1  0
 25 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15297

> <plate>
PLATE 001

> <well>
A3

> <supplier_cmpd_name>
SC-202671

> <ctcr_id>
2558

> <supplier_cmpd_id>
T2234

> <smiles>
O.O=C(Nc1sc2CCCCc2c1C#N)c3cccc4ccccc34

> <pd_targets>
{MAPK9,MAPK10,MAPK8}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase MAPK family","CMGC protein kinase JNK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","JNK subfamily"}

> <pathway_reactome>
{"Immune System","Innate Immune System","Toll-like Receptor Cascades","Toll Like Receptor 5 (TLR5) Cascade","MyD88 cascade initiated on plasma membrane","MAP kinase activation","MAPK targets/ Nuclear 
events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HMS3229I22,"N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-1-naphthamide","N(3Cyano4,5,6,7tetrahydro1benzothien2yl)1naphthamide",CCG-206860,CCG206860,T2234,"EMD 420136",SC-202671,420136}

> <pdid>
PD003805

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{16760525}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 S   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4964   -0.7591    0.0000 O   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
  -11.6983    3.7390    0.0000 C   0  0
  -12.9978    2.9898    0.0000 C   0  0
  -11.6978    5.2390    0.0000 C   0  0
  -12.9970    4.4896    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
  8 25  1  0
 25 26  2  0
 26  5  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15298

> <plate>
PLATE 001

> <well>
A4

> <supplier_cmpd_name>
Tenovin-1

> <ctcr_id>
6293

> <supplier_cmpd_id>
T1919

> <smiles>
CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1

> <pd_targets>
{RORC}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{SIRT1}

> <broad_moa>
{"SIRT inhibitor","TP53 activator"}

> <synonyms>
{ENOVIN,Tenovin-1,Tenovin1,380315-80-0,380315800,"Tenovin 1",N-((4-acetamidophenyl)carbamothioyl)-4-tert-butylbenzamide,N((4acetamidophenyl)carbamothioyl)4tertbutylbenzamide,UNII-BIQ6AID2B7,UNIIBIQ6AI
D2B7,BIQ6AID2B7,N-(4-acetamidophenylcarbamothioyl)-4-tert-butylbenzamide,N(4acetamidophenylcarbamothioyl)4tertbutylbenzamide,NCGC00181351-01,NCGC0018135101,C20H23N3O2S,N-((4-acetamidoanilino)-sulfanyl
idenemet,N((4acetamidoanilino)sulfanylidenemet,T1919,S8000}

> <pdid>
PD010272

> <targets>
{"E3 Ligase",p53}

> <classes>
{Apoptosis}

> <pubchem_cids>
{1013376}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 10  8  0  0  0  0            999 V2000
   10.2999    0.3750    0.0000 Cl  0  0
    0.0007    0.0004    0.0000 N   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7992    0.0004    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15299

> <plate>
PLATE 001

> <well>
A5

> <supplier_cmpd_name>
ALA hydrochloride

> <ctcr_id>
4887

> <supplier_cmpd_id>
T1662

> <smiles>
Cl.NCC(=O)CCC(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{ALAD}

> <broad_moa>
{"oxidizing agent"}

> <synonyms>
{AKOS026750168,FT-0601317,FT0601317,5-ALA,5ALA,"5-Aminolaevulinic acid hydrochloride","5Aminolaevulinic acid hydrochloride","5-Aminolevulinic acid hydrochloride","5Aminolevulinic acid hydrochloride",5
451-09-2,5451092,"Aminolevulinic acid hydrochloride","5-Amino-4-oxopentanoic acid hydrochloride","5Amino4oxopentanoic acid hydrochloride",Levulan,"Levulan Kerastick",5-Aminolevulinic,5Aminolevulinic,T
1662,18509,1504184,"NSC 18509","ALA hydrochloride","AMINOLEVULINIC ACID HYDROCHLORIDE"}

> <pdid>
PD003147

> <targets>
{}

> <classes>
{antineoplastic,"Photosensitizing Agents"}

> <pubchem_cids>
{71773380,9815326,123608}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 45 50  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7547    0.0000 C   0  0
    1.2938   -5.2548    0.0000 C   0  0
    2.5923   -6.0056    0.0000 C   0  0
    3.8918   -5.2565    0.0000 C   0  0
    3.8928   -3.7565    0.0000 C   0  0
    2.5943   -3.0056    0.0000 C   0  0
    5.1927   -6.0051    0.0000 O   0  0
    6.4918   -5.2536    0.0000 C   0  0
    7.7930   -5.9999    0.0000 C   0  0
    9.0900   -5.2463    0.0000 C   0  0
    9.0858   -3.7463    0.0000 C   0  0
    7.7846   -2.9999    0.0000 C   0  0
    6.4877   -3.7536    0.0000 C   0  0
    7.7773   -1.4991    0.0000 C   0  0
    6.4744   -0.7542    0.0000 C   0  0  2  0  0  0
    6.4649    0.7458    0.0000 C   0  0
    7.7592    1.5039    0.0000 C   0  0
    7.7498    3.0039    0.0000 C   0  0
    6.4461    3.7457    0.0000 C   0  0
    5.1518    2.9876    0.0000 C   0  0
    5.1612    1.4876    0.0000 C   0  0
    3.8669    0.7295    0.0000 C   0  0
    3.8763   -0.7705    0.0000 C   0  0
    5.1800   -1.5123    0.0000 N   0  0
    5.1894   -3.0123    0.0000 C   0  0
    6.4336    5.2465    0.0000 O   0  0
    5.1289    5.9865    0.0000 C   0  0
    9.0442    3.7620    0.0000 O   0  0
    7.7973   -7.4999    0.0000 O   0  0
   -5.1953   -1.5031    0.0000 O   0  0
   -5.1932   -3.0031    0.0000 C   0  0
   -5.1953    1.5031    0.0000 O   0  0
   -5.1932    3.0031    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11  2  1  0
 11 12  1  6
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 24 26  1  0
 27 26  1  1
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 27  1  0
 36 37  1  0
 31 38  1  0
 38 39  1  0
 30 40  1  0
 21 41  1  0
  8 42  1  0
 42 43  1  0
  7 44  1  0
 44 45  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15300

> <plate>
PLATE 001

> <well>
A6

> <supplier_cmpd_name>
Daurisoline

> <ctcr_id>
10896

> <supplier_cmpd_id>
T3054

> <smiles>
CN1CCc2cc(c(cc2[C@H]1Cc1ccc(cc1)Oc1c(ccc(c1)C[C@@H]1c2cc(c(cc2CCN1C)OC)O)O)OC)OC

> <pd_targets>
{KCNH2,KCNE1}

> <pathway_gtopdb>
{"Ion channel","Auxiliary transport protein","Voltage-gated ion channel","Slow voltage-gated potassium channel accessory protein family","Potassium channels","Voltage-gated potassium channel"}

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Potassium channels","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Muscle contraction","Cardiac conduction","Phase 3 - rapid repolarisation","Phase 2 - plateau phase"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Daurisoline,70553-76-3,70553763,CHEMBL2216904,"O(sup 7)-Demethyldauricine","O(sup 7)Demethyldauricine",Daruisoline,"D 610",DTXSID40220841,HY-N0221,HYN0221,8085AH,BDBM50403104,MFCD00221740,s9150,ZINC8
5492224,AKOS015897168,CCG-270233,CCG270233,CS-8095,CS8095,NCGC00482986-03,NCGC0048298603,553D763,Q-100785,Q100785,T3054}

> <pdid>
PD065436

> <targets>
{Others}

> <classes>
{Autophagy}

> <pubchem_cids>
{51106}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    1.1812   -9.7838    0.0000 Cl  0  0
    0.7130   -8.3588    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 O   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8805   -1.4410    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2449   -5.8157    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
    3.1813   -7.5478    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17  7  1  0
 17 12  1  0
  5 18  1  0
 18 19  2  0
 19  2  1  0
 19 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15301

> <plate>
PLATE 001

> <well>
A7

> <supplier_cmpd_name>
Apoptosis Activator 2

> <ctcr_id>
5018

> <supplier_cmpd_id>
T1772

> <smiles>
Clc1ccc(CN2C(=O)C(=O)c3ccccc23)cc1Cl

> <pd_targets>
{ALOX12,LEF,TDP1,MAPT,RORC,CYP3A4,BCHE,TSHR,ACHE,TP53,CYP1A2,APAF1,ALDH1A1,ALOX15,HSD17B10,F12,CES1,CASP9,FFP,CYP2D6}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Transcription factor","Membrane receptor","Unclassified protein",Protease,Hydrolase,"Nuclear receptor","Cytochrome P450","Family A G protein-coupled receptor",Oxidor
eductase,Transferase,"Metallo protease","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Cysteine protease","Cytochrome P450 family 1","Serine prot
ease","Cytochrome P450 family 2","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Glycohormone receptor","Cysteine protease CA clan","Cytochrome 
P450 family 1A","Serine protease PA clan","Cysteine protease CD clan","Cytochrome P450 family 2D","Metallo protease M34 family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450
 3A4","Cysteine protease C1A family","Cytochrome P450 1A1","Serine protease S1A subfamily","Cysteine protease C14 family","Cytochrome P450 2D6"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","Nuclear hormone receptors","Cytochrome P450","Acetylcholine turnover","G protein-coupled receptors","Peptidases and proteinases",Hydrolases,Lipoxygenases,"1F.
 Retinoic acid-related orphans","CYP3 family","Glycoprotein hormone receptors","CYP1 family","PA: Serine (S) Peptidases","CD: Cysteine (C) Peptidases","CYP2 family: drug metabolising subset","S1: Chym
otrypsin","C14: Caspase"}

> <pathway_reactome>
{Metabolism,Disease,"DNA Repair","Neuronal System","Gene expression (Transcription)","Cell Cycle","Programmed Cell Death","Metabolism of lipids","Infectious disease","DNA Double-Strand Break Repair","
Transmission across Chemical Synapses","RNA Polymerase II Transcription","Cell Cycle Checkpoints","Biological oxidations",Apoptosis,"Metabolism of amino acids and derivatives","Diseases of hemostasis"
,"Biosynthesis of specialized proresolving mediators (SPMs)","Uptake and actions of bacterial toxins","Nonhomologous End-Joining (NHEJ)","Neurotransmitter receptors and postsynaptic signal transmissio
n","Generic Transcription Pathway","Phospholipid metabolism","Leishmania infection","G1/S DNA Damage Checkpoints","Phase I - Functionalization of compounds","Intrinsic Pathway for Apoptosis","Branched
-chain amino acid catabolism","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Biosynthesis of DPA-derived SPMs","Uptake and function of anthrax toxins","Activation of N
MDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Glycerophospholipid biosynthesis","Leishmania parasite growth and survival","p53-Depend
ent G1/S DNA damage checkpoint","Cytochrome P450 - arranged by substrate type","Apoptotic factor-mediated response","Ethanol oxidation","Defective factor XII causes hereditary angioedema","Biosynthesi
s of DPAn-3 SPMs","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Synthesis of PC","Anti-inflammatory response favouring Leishma
nia parasite infection","p53-Dependent G1 DNA Damage Response",Xenobiotics,"Cytochrome c-mediated apoptotic response","Biosynthesis of DPAn-3-derived maresins","Activation of AMPK downstream of NMDARs
","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Stabilization of p53","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Formation of 
apoptosome","Biosynthesis of DPAn-3-derived protectins and resolvins","CYP2E1 reactions","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of the apoptosome activity"}

> <broad_targets>
{BCHE,CES1}

> <broad_moa>
{"carboxylesterase inhibitor"}

> <synonyms>
{"Apoptosis Activator 2",79183-19-0,79183190,"Apoptosis Activator II","1-(3,4-Dichlorobenzyl)-1H-indole-2,3-dione","1(3,4Dichlorobenzyl)1Hindole2,3dione","1-(3,4-dichlorobenzyl)indoline-2,3-dione","1(
3,4dichlorobenzyl)indoline2,3dione","1-((3,4-dichlorophenyl)methyl)indole-2,3-dione","1((3,4dichlorophenyl)methyl)indole2,3dione",MDK83190,1-((3,1((3,4-Dichlorophenyl)methyl)-1H-indole-2,4Dichlorophen
yl)methyl)1Hindole2,T1772,S2927}

> <pdid>
PD010511

> <targets>
{Caspase}

> <classes>
{Apoptosis}

> <pubchem_cids>
{1901244}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
   -3.2259   -8.8591    0.0000 C   0  0
   -1.7581   -9.1683    0.0000 O   0  0
   -0.7552   -8.0517    0.0000 C   0  0
    0.7130   -8.3588    0.0000 C   0  0
    1.1812   -9.7838    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
    1.2449   -5.8157    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -2.6917   -6.3197    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 10  1  0
 20 13  1  0
  8 21  2  0
 21  3  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15302

> <plate>
PLATE 001

> <well>
A8

> <supplier_cmpd_name>
BIIB-021

> <ctcr_id>
3524

> <supplier_cmpd_id>
T2286

> <smiles>
COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc23)c1C

> <pd_targets>
{HSP90AA1,HSP90AB1,TRAP1,HSP90B1,CARM1}

> <pathway_gtopdb>
{"Other cytosolic protein","Other membrane protein","Epigenetic regulator",Writer,"Protein methyltransferase","Protein arginine methyltransferase"}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Heat shock proteins","L-Arginine turnover","2.1.1.- Protein arginine N-methyltransferases"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Immune System","Gene expression (Transcription)",Mitotic,"The citric acid (TCA) cycle and respiratory electron transport","Cytokine Signaling in Immune system","RNA Polymeras
e II Transcription","Mitotic G2-G2/M phases","Respiratory electron transport","ATP synthesis by chemiosmotic coupling","and heat production by uncoupling proteins.","Signaling by Interleukins","Generi
c Transcription Pathway","G2/M Transition","Interleukin-4 and Interleukin-13 signaling","Transcriptional Regulation by TP53","Centrosome maturation","The role of GTSE1 in G2/M progression after G2 che
ckpoint","TP53 Regulates Transcription of Cell Cycle Genes","Loss of proteins required for interphase microtubule organization from the centrosome","TP53 Regulates Transcription of Genes Involved in G
2 Cell Cycle Arrest","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
{HSP90AA1}

> <broad_moa>
{"HSP inhibitor"}

> <synonyms>
{BIIB021,848695-25-0,848695250,"6-chloro-9-((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-9H-purin-2-amine","6chloro9((4methoxy3,5dimethylpyridin2yl)methyl)9Hpurin2amine",BIIB-021,CNF2024,"BIIB 021",UNI
I-851B9FQ7Q0,UNII851B9FQ7Q0,CNF-2024,"6-Chloro-9-((4-Methoxy-3,5-Dimethylpyridin-2-Yl)methyl)-9h-Purin-2-Amine","6Chloro9((4Methoxy3,5Dimethylpyridin2Yl)methyl)9hPurin2Amine",CHEMBL467399,CHEBI:90687,
8,T2286,S1175}

> <pdid>
PD011103

> <targets>
{HSP,HSP (e.g. HSP90),Autophagy}

> <classes>
{Cytoskeletal Signaling,Autophagy,Cell Cycle/DNA Damage,Metabolic Enzyme/Protease}

> <pubchem_cids>
{16736529}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 11  9  0  0  0  0            999 V2000
   10.2999    1.1254    0.0000 Cl  0  5
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 N   0  3
    7.7992    0.0004    0.0000 C   0  0
    7.7989    1.5002    0.0000 C   0  0
    6.5000    2.2500    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
M  CHG  2   1  -1   8   1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15303

> <plate>
PLATE 001

> <well>
A9

> <supplier_cmpd_name>
Acetylcholine chloride

> <ctcr_id>
4120

> <supplier_cmpd_id>
T1221

> <smiles>
[Cl-].CC(=O)OCC[N+](C)(C)C

> <pd_targets>
{POLB,NFO,CHRNA4,BLM}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Hydrolase,"Ligand-gated ion channel","Nicotinic acetylcholine receptor","Nicotinic acetylcholine receptor alpha subunit"}

> <pathway_chembl>
{"Ion channels","Ligand-gated ion channels","Nicotinic acetylcholine receptors"}

> <pathway_reactome>
{"DNA Repair","Neuronal System","Base Excision Repair","Transmission across Chemical Synapses","DNA Double-Strand Break Repair","Resolution of Abasic Sites (AP sites)","Neurotransmitter receptors and 
postsynaptic signal transmission","Homology Directed Repair","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Acetylcholine binding and downstream events","HDR through H
omologous Recombination (HRR) or Single Strand Annealing (SSA)","PCNA-Dependent Long Patch Base Excision Repair","Postsynaptic nicotinic acetylcholine receptors","HDR through Homologous Recombination 
(HRR)","Highly calcium permeable postsynaptic nicotinic acetylcholine receptors","Homologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{ACHE,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,CHRNA2}

> <broad_moa>
{"acetylcholine receptor agonist"}

> <synonyms>
{"ACETYLCHOLINE CHLORIDE",60-31-1,60311,Miochol,Acecoline,"ACH chloride",Chloroacetylcholine,Arterocoline,Acecholin,Ovisot,Azetylcholinchlorid,"Acetylcholine (chloride)","2-(Acetyloxy)-N,N,N-trimethyl
ethanaminium chloride","2(Acetyloxy)N,N,Ntrimethylethanaminium chloride",MIOCHOL-E,MIOCHOLE,Acetylcholinium,T1221,S1805,SAM002548945,1500104,"Acetylcholine chloride","Acetylcholine Chloride",CPD000059
182,ACETYLCHOLINE}

> <pdid>
PD009386

> <targets>
{AChR,Calcium Channel,Endogenous Metabolite,nAChR}

> <classes>
{Neuronal Signaling,vasodilator (peripheral),antiarrhythmic,miotic,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease}

> <pubchem_cids>
{6060}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
   15.6025    1.5193    0.0000 C   0  0
   14.3024    0.7712    0.0000 O   0  0
   14.2993   -0.7296    0.0000 C   0  0
   15.5984   -1.4796    0.0000 C   0  0
   15.5984   -2.9796    0.0000 C   0  0
   14.2994   -3.7296    0.0000 C   0  0
   13.0004   -2.9797    0.0000 C   0  0
   13.0002   -1.4796    0.0000 C   0  0
   11.6990   -0.7319    0.0000 O   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4134   -4.4924    0.0000 C   0  0
   -1.5318   -5.7059    0.0000 C   0  0
   -0.0400   -5.5491    0.0000 C   0  0
    0.5701   -4.1788    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 29 30  1  0
 30 18  1  0
 30 22  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15304

> <plate>
PLATE 001

> <well>
A10

> <supplier_cmpd_name>
Carvedilol

> <ctcr_id>
1656

> <supplier_cmpd_id>
T0447

> <smiles>
COc1ccccc1OCCNCC(O)COc2cccc3[nH]c4ccccc4c23

> <pd_targets>
{ADRA2A,ADRA2B,ADRA2C,ADRB1,KDM4E,MAPT,GAA,HTR1B,KCNH2,ADRA1A,ADRA1B,HTR1A,MAPK1,HTR4,ADRB2,ADRA1D,KMT2A,APP,RORC,RYR2,FFP,MTOR,HTR2B,SLC6A4,ADRB3,DRD3,ABCB1,SLC22A2,SLC22A1,SLC6A2,DRD2,HTR2C,SLC6A3,S
LC47A1,TLR4,KCNK2,KCNK10,UGT1A1,HTR2A,HTR6,CACNA1C,NDUFC2,VEGFA,NPPB,GJA1,VCAM1,SELE,HIF1A,KCNJ4,KCNJ2,HCRTR2,HCRTR1}

> <pathway_gtopdb>
{"Membrane receptor","Epigenetic regulator","Other cytosolic protein",Enzyme,"Ion channel","Transcription factor",Transporter,"Secreted protein",Adhesion,"Family A G protein-coupled receptor",Eraser,H
ydrolase,"Voltage-gated ion channel",Kinase,Reader,"Nuclear receptor","Ligand-gated ion channel",Transferase,"Electrochemical transporter","Primary active transporter","Small molecule receptor (family
 A GPCR)","Lysine demethylase","Potassium channels","Protein Kinase",Bromodomain,"Nuclear hormone receptor subfamily 1","Ryanodine receptor","SLC superfamily of solute carriers","ATP-binding cassette"
,"Voltage-gated calcium channel","Peptide receptor (family A GPCR)","Monoamine receptor","Jumonji domain-containing","Voltage-gated potassium channel","CMGC protein kinase group","Nuclear hormone rece
ptor subfamily 1 group F","Atypical protein kinase group","SLC06 neurotransmitter transporter family","ABCB subfamily","SLC22 family of organic cation and anion transporters","SLC47 family of multidru
g and toxin extrusion transporters","Two-pore domain potassium channel","Inwardly rectifying potassium channel","Short peptide receptor (family A GPCR)","Adrenergic receptor","Serotonin receptor","CMG
C protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase PIKK family","Dopamine receptor","Orexin receptor","CMGC protein kinase ERK1","Atypical p
rotein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"G protein-coupled receptors","Chromatin modifying enzymes","3.2.1.- Glycosidases","Voltage-gated ion channels","Kinases (EC 2.7.x.x)","Nuclear hormone r
eceptors","SLC superfamily of solute carriers","ATP-binding cassette transporter family","Catalytic receptors","UDP glucuronosyltransferases (UGT)","Other ion channels",Adrenoceptors,"1.14.11.- Histon
e demethylases","5-Hydroxytryptamine receptors","Potassium channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","2.1.1.43 Histone methyltransferases (HMTs)","1F. Retinoic acid-related orphans","R
yanodine receptors",Atypical,"SLC6 neurotransmitter transporter family","Dopamine receptors","ABCB subfamily","SLC22 family of organic cation and anion transporters","SLC47 family of multidrug and tox
in extrusion transporters","Pattern recognition receptors","Voltage-gated calcium channels","Connexins and Pannexins","Orexin receptors","Voltage-gated potassium channels","Mitogen-activated protein k
inases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Monoamine transporter subfamily","Organic cation transporters (OCT)","Toll-like receptor family","Two P domain po
tassium channels","Inwardly rectifying potassium channels","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Signal Transduction","Muscle contraction","Immune System","Gene expression (Transcription)",Metabolism,"Transport of small molecules","Developmental Biology","Vesicle-media
ted transport",Hemostasis,"Cellular responses to external stimuli","Infectious disease","Transmission across Chemical Synapses","Diseases of metabolism","Signaling by GPCR","Cardiac conduction","Innat
e Immune System","RNA Polymerase II Transcription","Abacavir transport and metabolism","SLC-mediated transmembrane transport","Disorders of transmembrane transporters","Potassium Channels","Nervous sy
stem development","The citric acid (TCA) cycle and respiratory electron transport","Membrane Trafficking","Cytokine Signaling in Immune system","Cell surface interactions at the vascular wall","Cellul
ar responses to stress","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Diseases of carbohydrate metabolism","GPCR ligand binding","Phase 3 - rapid repolarisa
tion","Toll-like Receptor Cascades","Generic Transcription Pathway","Ion homeostasis","Neurotransmitter clearance","Abacavir transmembrane transport","Transport of bile salts and organic acids","metal
 ions and amine compounds","SLC transporter disorders","Tandem pore domain potassium channels","Metabolic disorders of biological oxidation enzymes","Axon guidance","Respiratory electron transport","A
TP synthesis by chemiosmotic coupling","and heat production by uncoupling proteins.","Gap junction trafficking and regulation","Interferon Signaling","Cellular response to hypoxia","Leishmania parasit
e growth and survival","Activation of NMDA receptors and postsynaptic events","Glycogen storage diseases","Class A/1 (Rhodopsin-like receptors)","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional 
regulation by RUNX1","Transcriptional regulation by RUNX3","Transcriptional Regulation by TP53","Serotonin clearance from the synaptic cleft","Organic cation/anion/zwitterion transport","Defective SLC
6A2 causes orthostatic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Toll Like Receptor 4 (TLR4) Cascade","TWIK related potassium channel (TREK)","Defective UGT1
A1 causes hyperbilirubinemia","NCAM signaling for neurite out-growth","Transcriptional regulation by the AP-2 (TFAP2) family of transcription factors","Gap junction trafficking","Interferon gamma sign
aling","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","GABA receptor activation","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor ac
tivation events","Glycogen storage disease type II (GAA)","Amine ligand-binding receptors","MyD88 cascade initiated on plasma membrane","RUNX1 regulates genes involved in megakaryocyte differentiation
 and platelet function","RUNX3 Regulates Immune Response and Cell Migration","Regulation of TP53 Activity","Organic cation transport","MyD88-independent TLR4 cascade","NCAM1 interactions","Complex I b
iogenesis","TFAP2 (AP-2) family regulates transcription of growth factors and their receptors","Gap junction assembly","GABA B receptor activation","Peptide ligand-binding receptors","ADORA2B mediated
 anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Serotonin receptors",Adrenoceptors,"MAP kinase activation","TAK1 activates NFkB by phosphorylation and activation of
 IKKs complex","Regulation of TP53 Expression and Degradation","Dopamine receptors","TRIF(TICAM1)-mediated TLR4 signaling","Transport of connexons to the plasma membrane","Activation of GABAB receptor
s","Orexin and neuropeptides FF and QRFP bind to their respective receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Activation of IRF3/IRF7 mediated b
y TBK1/IKK epsilon","Microtubule-dependent trafficking of connexons from Golgi to the plasma membrane","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits","ERK/MAPK targets","ERKs ar
e inactivated"}

> <broad_targets>
{ADRB1,ADRB2,ADRB3}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{carvedilol,72956-09-3,72956093,Coreg,Dilatrend,Eucardic,"Carvedilolum (Latin)","BM 14190",Carvedilolum,1-(9H-Carbazol-4-yloxy)-3-((2-(2-methoxyphenoxy)ethyl)amino)-2-propanol,1(9HCarbazol4yloxy)3((2(
2methoxyphenoxy)ethyl)amino)2propanol,BM-14190,BM14190,"SKF 105517",1-((9H-Carbazol-4-yl)oxy)-3-((2-(2-methoxyphenoxy)ethy,1((9HCarbazol4yl)oxy)3((2(2methoxyphenoxy)ethy,T0342,T0447,S1831,SAM001246736
,1504257,Prestw-1262,"Carvedilol phosphate",Carvedilol,CPD000449280,CARVEDILOL}

> <pdid>
PD001210

> <targets>
{Adrenergic Receptor,Autophagy}

> <classes>
{beta-adrenergic blocker,Neuronal Signaling,Autophagy,GPCR/G Protein}

> <pubchem_cids>
{2585}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
    5.1995   -6.0025    0.0000 C   0  0
    3.9005   -5.2525    0.0000 C   0  0
    3.8995   -3.7516    0.0000 C   0  0
    2.5997   -3.0012    0.0000 N   0  0
    1.3018   -3.7547    0.0000 C   0  0
    1.3044   -5.2556    0.0000 C   0  0
    0.0071   -6.0086    0.0000 C   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8982   -2.2498    0.0000 O   0  0
    3.8976   -0.7500    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8983    0.7459    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  4  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
 17 18  1  0
 17 19  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15305

> <plate>
PLATE 001

> <well>
A11

> <supplier_cmpd_name>
Probenecid

> <ctcr_id>
4702

> <supplier_cmpd_id>
T0457

> <smiles>
CCCN(CCC)[S](=O)(=O)c1ccc(cc1)C(O)=O

> <pd_targets>
{SLC22A6,UGT1A7,CA12,CA2,CA9,SLC22A11,ABCC2,TRPV2,SLC22A12,ALD,SLC22A8,SLCO1A1,SLC22A20,SLCO1A4,SLCO1C1,PANX1}

> <pathway_gtopdb>
{Transporter,Enzyme,"Ion channel","Electrochemical transporter",Transferase,Lyase,"Primary active transporter","Voltage-gated ion channel","Other ion channel","SLC superfamily of solute carriers","ATP
-binding cassette","Transient receptor potential channel","SLC22 family of organic cation and anion transporters","ABCC subfamily","SLC21/SLCO family of organic anion transporting polypeptides"}

> <pathway_chembl>
{Transporters,Enzymes,"Ion channels","SLC superfamily of solute carriers","Carbonic anhydrases","ATP-binding cassette transporter family","Voltage-gated ion channels","Other ion channels","SLC22 famil
y of organic cation and anion transporters","ABCC subfamily","Transient Receptor Potential channels","SLCO family of organic anion transporting polypeptides","Connexins and Pannexins","Organic anion t
ransporters (OATs)","Urate transporter","Orphan or poorly characterized SLC22 family members"}

> <pathway_reactome>
{"Transport of small molecules",Metabolism,"Cellular responses to external stimuli",Disease,"Immune System","SLC-mediated transmembrane transport","Biological oxidations","Reversible hydration of carb
on dioxide","O2/CO2 exchange in erythrocytes","Cellular responses to stress","Disorders of transmembrane transporters","Ion channel transport","Innate Immune System","Transport of bile salts and organ
ic acids","metal ions and amine compounds","Phase II - Conjugation of compounds","Erythrocytes take up carbon dioxide and release oxygen","Cellular response to hypoxia","ABC transporter disorders","St
imuli-sensing channels","Transport of vitamins",nucleosides,"and related molecules","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling pathways","Organic cation/anion
/zwitterion transport",Glucuronidation,"Regulation of gene expression by Hypoxia-inducible Factor","Defective ABCC2 causes DJS","TRP channels","Transport of organic anions",Inflammasomes,"Organic anio
n transport","The NLRP3 inflammasome"}

> <broad_targets>
{PANX1,SLC22A11,SLC22A6,SLC22A8,SLCO1C1}

> <broad_moa>
{"uricosuric blocker"}

> <synonyms>
{probenecid,57-66-9,57669,"4-(Dipropylsulfamoyl)benzoic acid","4(Dipropylsulfamoyl)benzoic acid","Probenecid acid",Benemid,Probecid,Benecid,Probenemid,Benuryl,Probalan,Probexin,Prolongine,Tubophan,Uri
cosid,Apurina,Proben,"Synergid R","p-(Dipropylsulfamoyl)benzoic acid","p(Dipropylsulfamoyl)benzoic acid",4-((dipropylami,4((dipropylami,T0457,SAM002554923,1500502,Prestw-542,Probenecid,CPD000058280,PR
OBENECID}

> <pdid>
PD001786

> <targets>
{Bacterial,HIV,TRP Channel}

> <classes>
{uricosuric,Anti-infection,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{4911}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 36 38  0  0  0  0            999 V2000
    9.0983   -0.7689    0.0000 C   0  0
    7.7972   -1.5154    0.0000 O   0  0
    6.4990   -0.7623    0.0000 C   0  0
    5.1972   -1.5092    0.0000 C   0  0
    3.8990   -0.7562    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5937   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.6051   -5.9945    0.0000 N   0  3
    2.6101   -7.4945    0.0000 O   0  5
    3.9019   -5.2406    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -5.1894   -6.0109    0.0000 C   0  0
   -5.1872   -7.5117    0.0000 C   0  0
   -6.4836   -8.2663    0.0000 C   0  0
   -6.4784   -9.7663    0.0000 C   0  0
   -5.1768  -10.5118    0.0000 C   0  0
   -3.8804   -9.7573    0.0000 C   0  0
   -3.8856   -8.2573    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14  8  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
 13 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 12 36  1  0
M  CHG  2  21   1  22  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15306

> <plate>
PLATE 001

> <well>
B2

> <supplier_cmpd_name>
Cilnidipine

> <ctcr_id>
4318

> <supplier_cmpd_id>
T0388

> <smiles>
COCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OC\C=C\c3ccccc3)C

> <pd_targets>
{RORC,CACNA1C,CACNA1D,CACNA1S,HTT,KMT2A,MEN1,CACNA1B,FTL,CACNA1F,CACNA1A,CACNB1,CACNB2,CACNB3,CACNB4}

> <pathway_gtopdb>
{"Transcription factor","Ion channel","Unclassified protein","Epigenetic regulator","Nuclear receptor","Voltage-gated ion channel",Reader,"Nuclear hormone receptor subfamily 1","Voltage-gated calcium 
channel",Bromodomain,"Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Ion channels","Nuclear hormone receptors","Voltage-gated ion channels","1F. Retinoic acid-related orphans","Voltage-gated calcium channels"}

> <pathway_reactome>
{"Gene expression (Transcription)","Neuronal System","Vesicle-mediated transport","Developmental Biology","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Membrane Traffickin
g","Nervous system development","Generic Transcription Pathway","Presynaptic depolarization and calcium channel opening","trans-Golgi Network Vesicle Budding","Axon guidance","Transcriptional regulati
on by RUNX3","Transcriptional Regulation by MECP2","Golgi Associated Vesicle Biogenesis","NCAM signaling for neurite out-growth","RUNX3 Regulates Immune Response and Cell Migration","Regulation of MEC
P2 expression and activity","NCAM1 interactions"}

> <broad_targets>
{CACNA1B}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{cilnidipine,132203-70-4,132203704,Cinalong,FRC-8653,FRC8653,Siscard,Atelec,"FRC 8653",CHEBI:31399,UNII-4LNU2SU262,UNII4LNU2SU262,4LNU2SU262,UNII-S85436ZG85,UNIIS85436ZG85,"Cilnidipine, 99",MFCD008658
53,S85436ZG85,"Cilnidipine (INN)",NCGC00162150-01,NCGC0016215001,Cinaldipine,DSSTox_CID_26309,DSSToxCID26309,DSSTox-CID-26309,"DSSTox CID 26309",DSSTox_RID_81,DSSToxRID81,DSSTox-RID-81,"DSSTox RID 81"
,T0388,Prestw-1376,Cilnidipine}

> <pdid>
PD000109

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5282138}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.6608   -1.8315    0.0000 O   0  0
   -5.1250   -4.3735    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -2.1885    3.7539    0.0000 O   0  0
   -4.6589    2.9478    0.0000 C   0  0
   -5.1272    4.3728    0.0000 C   0  0
   -6.5954    4.6799    0.0000 C   0  0
   -7.5955    3.5619    0.0000 C   0  0
   -9.0637    3.8689    0.0000 Cl  0  0
   -7.1272    2.1368    0.0000 C   0  0
   -5.6590    1.8298    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 10 15  1  0
 15  6  1  0
 15 16  2  0
 16  3  1  0
  7 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15307

> <plate>
PLATE 001

> <well>
B3

> <supplier_cmpd_name>
Indometacin

> <ctcr_id>
5203

> <supplier_cmpd_id>
T0458

> <smiles>
COc1ccc2n(c(C)c(CC(O)=O)c2c1)C(=O)c3ccc(Cl)cc3

> <pd_targets>
{PTGDR2,PPARG,PTGS2,PTGS1,AKR1B1,DHRS9,PTGER2,LMNA,HIF1A,CYP2D6,CYP1A2,AKR1C3,ABCB11,CXCL8,ALB,NOS2,CYP2C9,ABCB1,MT-CO2,MAPT,PMP22,GLO1,ALOX5,TBXAS1,PTGDS,PTGER3,AKR1C2,AKR1C4,KDM4E,ALD,RORC,NPSR1,SLC
O1B1,PON1,SLC22A8,NAPRT,ABCC4,SLC22A6,PTGES,GPR17,ABCC1,AR,SLCO1B3,ABCC3,MTOR,SLC46A1,PLA2G2A,PTGR2,PPARA}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor",Enzyme,"Other nuclear protein",Transporter,"Secreted protein","Other cytosolic protein","Unclassified protein","Epigenetic regulator","Family A G protein-co
upled receptor","Nuclear receptor",Oxidoreductase,"Cytochrome P450","Primary active transporter",Protease,Lyase,Isomerase,Eraser,"Electrochemical transporter",Hydrolase,Ligase,Kinase,"Small molecule r
eceptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 2","Cytochrome P450 family 1","ATP-binding cassette","Cysteine protease","Oxidoreduction-driven transporters","C
ytochrome P450 family 5","Lysine demethylase","Peptide receptor (family A GPCR)","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 3","Protein Kinase","Lipid-like ligand recepto
r (family A GPCR)","Nuclear hormone receptor subfamily 1 group C","Cytochrome P450 family 2D","Cytochrome P450 family 1A","ABCB subfamily","Cysteine protease CA clan","Cytochrome P450 family 2C","Cyto
chrome P450 family 5A","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","SLC21/SLCO family of organic anion transporting polypeptides
","SLC22 family of organic cation and anion transporters","ABCC subfamily","Nuclear hormone receptor subfamily 3 group C","Atypical protein kinase group","SLC46 family of folate transporters","Prostan
oid receptor","Nuclear hormone receptor subfamily 1 group C member 3","Cytochrome P450 2D6","Cytochrome P450 1A1","Cysteine protease C1A family","Cytochrome P450 2C9","Cytochrome P450 5A1","Nuclear ho
rmone receptor subfamily 1 group F member 3","Neuropeptide receptor","Leukotriene receptor","Nuclear hormone receptor subfamily 3 group C member 4","Atypical protein kinase PIKK family","Nuclear hormo
ne receptor subfamily 1 group C member 1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Nuclear hormone receptors","Eicosanoid turnover","1.-.-.- Oxidoreductases","Cytochrome P450","ATP-binding cassette transporter family","L
-Arginine turnover","Chromatin modifying enzymes","SLC superfamily of solute carriers","Paraoxonase (PON) family","Kinases (EC 2.7.x.x)","Glycerophospholipid turnover","Prostanoid receptors","1C. Pero
xisome proliferator-activated receptors",Cyclooxygenase,"CYP2 family: drug metabolising subset","CYP1 family","Prostaglandin synthases","ABCB subfamily","Nitric oxide synthases",Lipoxygenases,CYP5,"CY
P7 and CYP8 families","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","Neuropeptide S receptor","SLCO family of organic anion transporting polypeptides","SLC22 family of organic c
ation and anion transporters","ABCC subfamily","Orphan and other 7TM receptors","Steroid hormone receptors",Atypical,"SLC46 family of folate transporters","Phospholipase A<sub>2</sub>","Organic anion 
transporters (OATs)","Class A Orphans","3C. 3-Ketosteroid receptors","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Metabolism,Disease,"Cell Cycle","Cellular responses to external stimuli","Neuronal System","Developmental Biology","Transport of small molecule
s",Hemostasis,"Signaling by GPCR","RNA Polymerase II Transcription","Metabolism of lipids","Infectious disease",Mitotic,"Cellular responses to stress","Biological oxidations","Abacavir transport and m
etabolism","Transmission across Chemical Synapses","Nervous system development","The citric acid (TCA) cycle and respiratory electron transport","SLC-mediated transmembrane transport","Metabolism of v
itamins and cofactors","Platelet activation","signaling and aggregation","GPCR ligand binding","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Fatty acid m
etabolism","Metabolism of steroids","GPCR downstream signalling","Leishmania infection","M Phase","Cellular response to hypoxia","Phase I - Functionalization of compounds","Infection with Mycobacteriu
m tuberculosis","Abacavir transmembrane transport","Neurotransmitter receptors and postsynaptic signal transmission","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Pyruvate metaboli
sm and Citric Acid (TCA) cycle","Transport of bile salts and organic acids","metal ions and amine compounds","Metabolism of water-soluble vitamins and cofactors","Response to elevated platelet cytosol
ic Ca2+","Phospholipid metabolism","Class A/1 (Rhodopsin-like receptors)","Transcriptional Regulation by MECP2","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Metabolism of steroid 
hormones","G alpha (i) signalling events","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Cytochr
ome P450 - arranged by substrate type","Bile acid and bile salt metabolism","Response of Mtb to phagocytosis","Transcriptional Regulation by TP53","Activation of NMDA receptors and postsynaptic events
","Pyruvate metabolism","Transcriptional regulation by RUNX3","Organic cation/anion/zwitterion transport","Nicotinate metabolism","Platelet degranulation","Transcriptional regulation by RUNX2","Metabo
lism of folate and pterines","Glycerophospholipid biosynthesis","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Eicosanoid ligand-binding receptors","MECP2 regulates transcription factors",
"Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Pregnenolone biosynthesis","Visual phototransduction","Anti-inflammatory response favouring Leishmania parasite 
infection","Mitotic Anaphase",Xenobiotics,"Synthesis of bile acids and bile salts","Peptide ligand-binding receptors","Recycling of bile acids and salts","Suppression of phagosomal maturation","TP53 R
egulates Metabolic Genes","Post NMDA receptor activation events",Eicosanoids,"RUNX3 Regulates Immune Response and Cell Migration","Synthesis of 5-eicosatetraenoic acids","Organic anion transport","Nic
otinamide salvaging","Synthesis of Leukotrienes (LT) and Eoxins (EX)","RUNX2 regulates bone development","Regulation of TP53 Activity","Acyl chain remodelling of PC","Activation of gene expression by 
SREBF (SREBP)","Prostanoid ligand receptors","The canonical retinoid cycle in rods (twilight vision)","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","CYP2
E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","Synthesis of bile acids and bile salts via 7alpha-h
ydroxycholesterol","Chemokine receptors bind chemokines","Inhibition of nitric oxide production","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived 13-series resolvins","Leukotr
iene receptors","RUNX2 regulates osteoblast differentiation","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{GLO1,PLA2G2A,PPARA,PPARG,PTGDR2,PTGR2,PTGS1,PTGS2,SLC46A1}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{RESTW27,indomethacin,53-86-1,53861,indometacin,Indocin,Indometacine,Indomethacine,Indocid,Metindol,Amuno,Indomethazine,Imbrilon,Tannex,Indomethacinum,Artracin,Artrinovo,Artrivia,Confortid,Idomethine,
Indomecol,Indoptic,Indoptol,Inflazon,Infrocin,Metartril,Met,T0458,1500350,Prestw-272,Indometacin,INDOMETHACIN,Indomethacin}

> <pdid>
PD002292

> <targets>
{}

> <classes>
{analgesic,antiinflammatory,antipyretic}

> <pubchem_cids>
{3715}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 12 11  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0992    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15308

> <plate>
PLATE 001

> <well>
B4

> <supplier_cmpd_name>
Glucosamine

> <ctcr_id>
6285

> <supplier_cmpd_id>
T0429

> <smiles>
OCC(O)C(O)C(O)C(O)C=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"Mannose, D-","Mannose, D","2,3,4,5,6-pentahydroxyhexanal","2,3,4,5,6pentahydroxyhexanal",Aldohexose,L-(-)-Glucose,L()Glucose,"Galactose, L- (8CI)","Galactose, L (8CI)",50-99-7,50997,1990-29-0,199029
0,2595-97-3,2595973,CHEBI:33917,"Dextrose (polymer)",NSC406891,15572-79-9,15572799,93780-23-5,93780235,"D-(+) Glucose","D(+) Glucose",D-(-)-GULOSE,D()GULOSE,Sirup,"Glucose liquid",Sugar,gra,T0429,S212
3,Glucosamine,Dextrose}

> <pdid>
PD144372

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{24749}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    2.5532   -4.4223    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.8823   -2.5608    0.0000 C   0  0
    4.4166   -3.9866    0.0000 O   0  0
    6.3501   -2.2517    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1578   -3.7735    0.0000 C   0  0
   -3.1610   -4.8886    0.0000 C   0  0
   -4.6284   -4.5775    0.0000 C   0  0
   -5.0926   -3.1511    0.0000 C   0  0
   -4.0895   -2.0359    0.0000 C   0  0
   -2.6221   -2.3471    0.0000 C   0  0
   -6.5602   -2.8368    0.0000 S   0  0
   -7.5653   -3.9502    0.0000 C   0  0
   -7.0224   -1.4097    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  3  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 14  8  1  0
 14 15  1  0
 15  2  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 20 23  1  0
 23 24  1  0
 23 25  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15309

> <plate>
PLATE 001

> <well>
B5

> <supplier_cmpd_name>
Sulindac

> <ctcr_id>
4819

> <supplier_cmpd_id>
T0459

> <smiles>
CC\1=C(CC(O)=O)c2cc(F)ccc2C1=C\c3ccc(cc3)[S](C)=O

> <pd_targets>
{PMP22,CYP2C19,RORC,GLO1,RXRA,PTGS2,MAPK1,CYP3A4,CYP2C9,PTGS1,KDM4E,MAPT,CYP1A2,LMNA,ALDH1A1,ABCB11,NPSR1,AKR1B1,C5,FFP,PTGES,GLRA1,MAPK3,PPARD,PTGDR2,AKR1B10,KMT2A,TGR}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Transcription factor","Epigenetic regulator","Other cytosolic protein","Other nuclear protein",Transporter,"Membrane receptor","Secreted protein","Ion channel","Cytochr
ome P450","Nuclear receptor",Lyase,Oxidoreductase,Kinase,Eraser,"Primary active transporter","Family A G protein-coupled receptor",Transferase,Isomerase,"Ligand-gated ion channel",Reader,"Cytochrome P
450 family 2","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 2","Protein Kinase","Cytochrome P450 family 3","Lysine demethylase","Cytochrome P450 family 1","ATP-binding cas
sette","Peptide receptor (family A GPCR)","Glycine receptor","Small molecule receptor (family A GPCR)",Bromodomain,"Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group F","Nuclear h
ormone receptor subfamily 2 group B","CMGC protein kinase group","Cytochrome P450 family 3A","Jumonji domain-containing","Cytochrome P450 family 1A","ABCB subfamily","Short peptide receptor (family A 
GPCR)","Nuclear hormone receptor subfamily 1 group C","Lipid-like ligand receptor (family A GPCR)","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone recep
tor subfamily 2 group B member 1","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Cytochrome P450 2C9","Cytochrome P450 1A1","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 grou
p C member 2","Prostanoid receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Cytochrome P450","Nuclear hormone receptors","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","ATP-binding cassette transporte
r family","G protein-coupled receptors","1.-.-.- Oxidoreductases","Ligand-gated ion channels","CYP2 family: drug metabolising subset","1F. Retinoic acid-related orphans","2B. Retinoid X receptors",Cyc
looxygenase,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","1.14.11.- Histone demethylases","CYP1 family","ABCB subfamily","Neuropeptide S receptor","Prostaglandin synthases","Glycine r
eceptors","1C. Peroxisome proliferator-activated receptors","Prostanoid receptors","2.1.1.43 Histone methyltransferases (HMTs)","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Developmental Biology",Metabolism,"Gene expression (Transcription)","Immune System","Neuronal System","Cell Cycle",Disease,"Signal Transduction","Nervous system development","Biological oxidations",
"RNA Polymerase II Transcription","The citric acid (TCA) cycle and respiratory electron transport","Metabolism of lipids","Innate Immune System","Transmission across Chemical Synapses",Mitotic,"Infect
ious disease","Signaling by GPCR","Metabolism of vitamins and cofactors","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Phase I - Functionalization of compounds","Generic Transcript
ion Pathway","Pyruvate metabolism and Citric Acid (TCA) cycle","Metabolism of steroids","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Cascades","Fatty acid metabolism
","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","Leishmania infection","GPCR ligand binding","Metabolism of fat-soluble vitamins","Cytochrome P450 - arranged by substrate
 type","Transcriptional regulation by RUNX3","Pyruvate metabolism","Bile acid and bile salt metabolism","Biosynthesis of DPA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-de
rived SPMs","Arachidonic acid metabolism","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Ethanol oxidation","Leishmania parasite growth and survival","Metabol
ism of steroid hormones","Class A/1 (Rhodopsin-like receptors)","Retinoid metabolism and transport","Transcriptional regulation by RUNX1",Xenobiotics,"RUNX3 Regulates Immune Response and Cell Migratio
n","Synthesis of bile acids and bile salts","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Synthesis of Prostaglandins (PG) and Thromboxanes (TX
)","Post NMDA receptor activation events","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Pregnenolone biosynthesis","Peptide ligand-binding receptors","Regula
tion of pyruvate dehydrogenase (PDH) complex","Eicosanoid ligand-binding receptors","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","CYP2E1 reactions","Synthesi
s of bile acids and bile salts via 27-hydroxycholesterol","MAP kinase activation","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","Aromatic amines can be N-hydroxylated o
r N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","ADORA2B mediated anti-inflammatory cytokines production","Prostano
id ligand receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{AKR1B1}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{J012337,SR-01000075237-2,SR010000752372,sulindac,Clinoril,38194-50-2,38194502,Arthrocine,Sulindaco,Sulindacum,Aflodac,"Sulindac sulfoxide",Sulreuma,Mobilin,"cis-5-Fluoro-2-methyl-1-((p-methylsulfinyl
)benzylidene)indene-3-acetic acid","cis5Fluoro2methyl1((pmethylsulfinyl)benzylidene)indene3acetic acid",CHEBI:9352,"MK 231",Algocetil,A,T0459,SAM002554933,1500556,Prestw-73,Sulindac,CPD000326718,SULIN
DAC}

> <pdid>
PD001740

> <targets>
{}

> <classes>
{antiinflammatory}

> <pubchem_cids>
{1548887}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    4.1718    0.3758    0.0000 N   0  0
    3.1497   -0.7220    0.0000 C   0  0
    3.5898   -2.1560    0.0000 O   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1476   -0.7184    0.0000 O   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19  4  1  0
 19 14  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15310

> <plate>
PLATE 001

> <well>
B6

> <supplier_cmpd_name>
Oxcarbazepine

> <ctcr_id>
249

> <supplier_cmpd_id>
T0440

> <smiles>
NC(=O)N1c2ccccc2CC(=O)c3ccccc13

> <pd_targets>
{KMT2A,ALD,BLM,FFP,CYP3A4,MAPT,KDM4E,NS1,MEN1,ALDH1A1,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,SCN1B,SCN2B,SCN3B,SCN4B}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Other cytosolic protein","Unclassified protein","Ion channel",Reader,Transferase,"Cytochrome P450",Eraser,Oxidoreductase,"Voltage-gated ion channel",Bromodomain,"Cytoch
rome P450 family 3","Lysine demethylase","Voltage-gated sodium channel","Cytochrome P450 family 3A","Jumonji domain-containing","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cytochrome P450","2.1.1.43 Histone methyltransferases (HMTs)","CYP3 family","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Gene expression (Transcription)","DNA Repair",Metabolism,"Neuronal System","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Metabolism of lipids","Transmission across Chemical Syn
apses","Biological oxidations","Generic Transcription Pathway","Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signa
l transmission","Phase I - Functionalization of compounds","Transcriptional regulation by RUNX1","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DHA-deri
ved SPMs","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","HDR through Homologous Rec
ombination (HRR)","Biosynthesis of maresins","Post NMDA receptor activation events","Homologous DNA Pairing and Strand Exchange","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of N
MDARs","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{OXCARBAZEPINE,28721-07-5,28721075,Trileptal,Oxcarbamazepine,Oxcarbazepina,Oxcarbazepinum,"10-Oxo-10,11-dihydro-5H-dibenzo(b,f)azepine-5-carboxamide","10Oxo10,11dihydro5Hdibenzo(b,f)azepine5carboxamid
e","GP 47680",5-oxo-6H-benzo(b)(1)benzazepine-11-carboxamide,5oxo6Hbenzo(b)(1)benzazepine11carboxamide,KIN-493,KIN493,GP-47680,GP47680,10,11-Dihydro-10-oxo-5H-d,11Dihydro10oxo5Hd,T0440,SAM001246754,15
04243,Prestw-1156,Oxcarbazepine,CPD000048684}

> <pdid>
PD001213

> <targets>
{Apoptosis,Sodium Channel}

> <classes>
{antipsychotic,Apoptosis,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{34312}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 48 50  0  0  0  0            999 V2000
   30.8551   -0.9588    0.0000 O   0  0
   -1.8778    2.7573    0.0000 C   0  0
   -1.0947    1.4779    0.0000 N   0  0
    0.0000    0.6568    0.0000 C   0  0
   -0.6568   -0.6386    0.0000 C   0  0
   -1.8063   -1.3319    0.0000 C   0  0
   -0.8393    0.0000    0.0000 C   0  0
    0.9488    0.0000    0.0000 C   0  0
    1.8975   -0.8028    0.0000 C   0  0
    1.6421    0.6933    0.0000 C   0  0
    2.6654   -2.0798    0.0000 O   0  0
    4.1661   -2.0555    0.0000 C   0  0
    4.8945   -0.7443    0.0000 O   0  0
    4.9382   -3.3425    0.0000 C   0  0
    4.2067   -4.6529    0.0000 C   0  0
    2.7069   -4.6756    0.0000 O   0  0
    6.4389   -3.3181    0.0000 C   0  0
    7.2125   -4.6033    0.0000 C   0  0
    8.7123   -4.5759    0.0000 C   0  0
    9.4385   -3.2634    0.0000 C   0  0
    8.6649   -1.9783    0.0000 C   0  0
    7.1652   -2.0056    0.0000 C   0  0
   11.9389    2.7573    0.0000 C   0  0
   12.7219    1.4779    0.0000 N   0  0
   13.8166    0.6568    0.0000 C   0  0
   13.1598   -0.6386    0.0000 C   0  0
   12.0103   -1.3319    0.0000 C   0  0
   12.9773    0.0000    0.0000 C   0  0
   14.7654    0.0000    0.0000 C   0  0
   15.7141   -0.8028    0.0000 C   0  0
   15.4587    0.6933    0.0000 C   0  0
   16.4820   -2.0798    0.0000 O   0  0
   17.9827   -2.0555    0.0000 C   0  0
   18.7111   -0.7443    0.0000 O   0  0
   18.7549   -3.3425    0.0000 C   0  0
   18.0233   -4.6529    0.0000 C   0  0
   16.5235   -4.6756    0.0000 O   0  0
   20.2555   -3.3181    0.0000 C   0  0
   21.0291   -4.6033    0.0000 C   0  0
   22.5289   -4.5759    0.0000 C   0  0
   23.2551   -3.2634    0.0000 C   0  0
   22.4815   -1.9783    0.0000 C   0  0
   20.9818   -2.0056    0.0000 C   0  0
   27.0551    0.5412    0.0000 O   0  0
   27.0551   -0.9588    0.0000 S   0  0
   25.7558   -1.7084    0.0000 O   0  0
   28.3543   -1.7084    0.0000 O   0  0
   27.0551   -2.4588    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  4  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 24  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 25  1  0
 30 32  1  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 35 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 38  1  0
 44 45  1  0
 45 46  2  0
 45 47  2  0
 45 48  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15311

> <plate>
PLATE 001

> <well>
B7

> <supplier_cmpd_name>
Atropine sulfate monohydrate

> <ctcr_id>
660

> <supplier_cmpd_id>
T0375L

> <smiles>
O.CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3.CN4C5CCC4CC(C5)OC(=O)C(CO)c6ccccc6.OS(=O)(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Atropine sulfate monohydrate",CHEMBL4303419,DTXSID3040724,HMS3713B12,5908-99-6,5908996,"5908 99 6",AKOS015895631,CCG-220565,CCG220565,"CCG 220565",Prestw-565}

> <pdid>
PD002296

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{66509063}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  3
   -3.8983    0.7459    0.0000 O   0  0
   -2.6030    2.9977    0.0000 O   0  5
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  3  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  2  1  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
M  CHG  2  12   1  14  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15312

> <plate>
PLATE 001

> <well>
B8

> <supplier_cmpd_name>
Nitroxoline

> <ctcr_id>
10917

> <supplier_cmpd_id>
T0400

> <smiles>
Oc1c2ncccc2c(cc1)[N+](=O)[O-]

> <pd_targets>
{HTT,PTGS2,BRD4,RORC,DNAB,RECA,TGR,ALOX12,ALD,MAPT,ALDH1A1,COMT,METAP2,CASP6,CTSB,KDM4E,HSP90AA1,APE1,LMNA}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Epigenetic regulator","Transcription factor","Other cytosolic protein","Other nuclear protein",Oxidoreductase,Reader,"Nuclear receptor",Transferase,Protease,Eraser,Brom
odomain,"Nuclear hormone receptor subfamily 1","Metallo protease","Cysteine protease","Lysine demethylase","Nuclear hormone receptor subfamily 1 group F","Metallo protease MG clan","Cysteine protease 
CD clan","Cysteine protease CA clan","Jumonji domain-containing","Metallo protease MH clan","Nuclear hormone receptor subfamily 1 group F member 3","Metallo protease M24A subfamily","Cysteine protease
 C14 family","Cysteine protease C1A family","Metallo protease M18 family"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Eicosanoid turnover","Chromatin modifying enzymes","Nuclear hormone receptors","Catecholamine turnover","Peptidases and proteinases","Heat shock proteins",C
yclooxygenase,"Enzymatic bromodomain-containing proteins","1F. Retinoic acid-related orphans",Lipoxygenases,"MG: Metallo (M) Peptidases","CD: Cysteine (C) Peptidases","CA: Cysteine (C) Peptidases","1.
14.11.- Histone demethylases","Bromodomain kinase (BRDK) family","M24: Methionyl aminopeptidase","C14: Caspase","C1: Papain"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,Disease,"Neuronal System","Signal Transduction","Immune System","Cell Cycle","RNA Polymerase II Transcription","Metabolism of lipids","Infectious disease"
,"Transmission across Chemical Synapses","Biological oxidations","Signaling by GPCR","Innate Immune System",Mitotic,"Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators 
(SPMs)","SARS-CoV Infections","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","Neurotransmitter clearance","GPCR downstream signalling","To
ll-like Receptor Cascades","Mitotic G2-G2/M phases","M Phase","Transcriptional Regulation by MECP2","Biosynthesis of DPA-derived SPMs","Potential therapeutics for SARS","Transcriptional regulation by 
RUNX3","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Dopamine clearance from the synaptic cleft","G alpha (i) signalling events","Transcriptional Regulation by TP53","Tra
fficking and processing of endosomal TLR","G2/M Transition","Mitotic Metaphase and Anaphase","Regulation of MECP2 expression and activity","Biosynthesis of DPAn-3 SPMs","RUNX3 Regulates Immune Respons
e and Cell Migration","Post NMDA receptor activation events","Enzymatic degradation of dopamine by COMT","Visual phototransduction","TP53 Regulates Transcription of Cell Death Genes","Centrosome matur
ation","Mitotic Anaphase","Biosynthesis of DPAn-3-derived maresins","Activation of AMPK downstream of NMDARs","The phototransduction cascade","TP53 Regulates Transcription of Caspase Activators and Ca
spases","Loss of proteins required for interphase microtubule organization from the centrosome","Nuclear Envelope (NE) Reassembly",Inactivation,"recovery and regulation of the phototransduction cascad
e","Loss of Nlp from mitotic centrosomes","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{METAP2}

> <broad_moa>
{"cathepsin inhibitor"}

> <synonyms>
{NITROXOLINE,5-nitroquinolin-8-ol,5nitroquinolin8ol,4008-48-4,4008484,8-Hydroxy-5-nitroquinoline,8Hydroxy5nitroquinoline,5-Nitro-8-hydroxyquinoline,5Nitro8hydroxyquinoline,5-Nitro-8-quinolinol,5Nitro8
quinolinol,Nitroxolin,5-Nitrox,5Nitrox,Noxibiol,"8-Quinolinol, 5-nitro-","8Quinolinol, 5nitro",5-Nitroxine,5Nitroxine,5-Nitroks,5Nitroks,5-NOK,5NOK,Nibiol,Noxin,5-Nitro-8-oxyquinoline,5Nitro8oxyquinol
ine,Ni,T0400,Nitroxoline}

> <pdid>
PD000164

> <targets>
{Fe2+/Zn2+ ions,Antibiotic,Autophagy,Bacterial}

> <classes>
{Others,Anti-infection,Autophagy}

> <pubchem_cids>
{19910}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 27  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 N   0  0
  -13.0003    1.4796    0.0000 C   0  0
  -13.0029    2.9796    0.0000 N   0  0
  -14.2982    0.7277    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    7.6982    0.3613    0.0000 C   0  0
    7.6982   -1.1387    0.0000 S   0  0
    7.6982   -2.6387    0.0000 O   0  0
    6.3990   -1.8883    0.0000 O   0  0
    8.9975   -1.8883    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
  9 22  1  0
 22 23  2  0
 23  6  1  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 25 28  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15313

> <plate>
PLATE 001

> <well>
B9

> <supplier_cmpd_name>
Gabexate mesylate

> <ctcr_id>
5364

> <supplier_cmpd_id>
T0372

> <smiles>
CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1.C[S](O)(=O)=O

> <pd_targets>
{KLK7,CYP2D6,CYP1A2,PLAT,AOC3,LEF,TPSAB1,KMT2A,MEN1,F10,PLAU,F2,PLG,KLKB1,SLC47A2,HPN,SLC22A2,SLC47A1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Transporter,Protease,"Cytochrome P450",Oxidoreductase,Reader,"Electrochemical transporter","Serine protease","Cytochrome P450 family 2","Cytochrome P450 family 1","Metal
lo protease",Bromodomain,"SLC superfamily of solute carriers","Serine protease PA clan","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Metallo protease MAE clan","SLC47 family of multidrug a
nd toxin extrusion transporters","SLC22 family of organic cation and anion transporters","Serine protease S1A subfamily","Cytochrome P450 2D6","Cytochrome P450 1A1","Metallo protease M34 family"}

> <pathway_chembl>
{Enzymes,Transporters,"Peptidases and proteinases","Cytochrome P450","1.-.-.- Oxidoreductases","SLC superfamily of solute carriers","PA: Serine (S) Peptidases","CYP2 family: drug metabolising subset",
"CYP1 family","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","S1: Chymotrypsin","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Extracellular matrix organization",Metabolism,"Signal Transduction",Disease,"Immune System",Hemostasis,"Transport of small molecules","Degradation of the extracellular matrix","Biological oxidations
","Signaling by Receptor Tyrosine Kinases","Infectious disease","Diseases of hemostasis","Innate Immune System","Platelet activation","signaling and aggregation","SLC-mediated transmembrane transport"
,"Phase I - Functionalization of compounds","Signaling by PDGF","Uptake and actions of bacterial toxins","Activation of Matrix Metalloproteinases","Defects of contact activation system (CAS) and kalli
krein/kinin system (KKS)","Neutrophil degranulation","Response to elevated platelet cytosolic Ca2+","Transport of bile salts and organic acids","metal ions and amine compounds","Signaling by MET","Cyt
ochrome P450 - arranged by substrate type","Uptake and function of anthrax toxins","Defective factor IX causes hemophilia B","Defective factor VIII causes hemophilia A","Platelet degranulation","Defec
tive factor XII causes hereditary angioedema","MET Receptor Activation","Organic cation/anion/zwitterion transport",Xenobiotics,"Defective F9 variant does not activate FX","Defective F8 cleavage by th
rombin","Organic cation transport","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{PRSS1,TPSAB1}

> <broad_moa>
{"serine protease inhibitor"}

> <synonyms>
{"Gabexate mesylate",56974-61-9,56974619,"Gabexate mesilate","Gabexate (mesylate)","Gabexate monomethanesulfonate",FOY,"Gabexate Methanesulfonate","56974-61-9 (mesylate)","56974619 (mesylate)",CHEMBL1
398351,MFCD00210299,UNII-E3Q07L0649,UNIIE3Q07L0649,NCGC00017121-01,NCGC0001712101,"ethyl 4-((6-guanidino","ethyl 4((6guanidino",T0372,SAM001246730,Prestw-1008,CPD000058918}

> <pdid>
PD013178

> <targets>
{Factor Xa,Proteasome}

> <classes>
{Metabolic Enzyme/Protease}

> <pubchem_cids>
{42080,6604561}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 30  0  0  0  0            999 V2000
    5.1983   -3.0012    0.0000 C   0  0
    5.1988   -1.5012    0.0000 C   0  0
    4.3327   -2.0011    0.0000 O   0  0
    3.8990   -0.7508    0.0000 C   0  0
    2.5988   -1.5004    0.0000 S   0  0
    2.5983   -3.0004    0.0000 O   0  0
    3.4646   -2.0008    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4990   -0.7516    0.0000 C   0  0
    6.4995    0.7484    0.0000 O   0  0
    7.7988   -1.5020    0.0000 N   0  0
    9.0990   -0.7525    0.0000 C   0  0
   10.3991   -1.5006    0.0000 C   0  0
   11.6971   -0.7487    0.0000 C   0  0
   11.6950    0.7512    0.0000 C   0  0
   12.9937    1.5035    0.0000 C   0  0
   14.2917    2.2553    0.0000 N   0  0
   10.3949    1.4994    0.0000 C   0  0
    9.0969    0.7476    0.0000 C   0  0
   10.3928    3.0003    0.0000 C   0  0
   11.6903    3.7529    0.0000 F   0  0
    9.0925    3.7480    0.0000 F   0  0
   10.3900    4.5002    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
  2 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  3  0
 21 24  1  0
 24 25  2  0
 25 18  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15314

> <plate>
PLATE 001

> <well>
B10

> <supplier_cmpd_name>
Bicalutamide

> <ctcr_id>
768

> <supplier_cmpd_id>
T0380

> <smiles>
CC(O)(C[S](=O)(=O)c1ccc(F)cc1)C(=O)Nc2ccc(C#N)c(c2)C(F)(F)F

> <pd_targets>
{ABCB11,RORC,AR,PGR,AMPC,CYP2C19}

> <pathway_gtopdb>
{Transporter,"Transcription factor",Enzyme,"Primary active transporter","Nuclear receptor",Hydrolase,"ATP-binding cassette","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 3
","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfa
mily 3 group C member 4","Nuclear hormone receptor subfamily 3 group C member 3","Cytochrome P450","Cytochrome P450 family 2","Cytochrome P450 family 2C","Cytochrome P450 2C19"}

> <pathway_chembl>
{Transporters,Receptors,"ATP-binding cassette transporter family","Nuclear hormone receptors","ABCB subfamily","1F. Retinoic acid-related orphans","Steroid hormone receptors","3C. 3-Ketosteroid recept
ors",Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Metabolism of proteins","Metabolism of lipids","RNA Polymerase II Transcription","Post-translational protein modification","Metabolism of steroids","Gene
ric Transcription Pathway",SUMOylation,"Bile acid and bile salt metabolism","Transcriptional regulation by RUNX3","Transcriptional regulation by RUNX2","SUMO E3 ligases SUMOylate target proteins","Syn
thesis of bile acids and bile salts","RUNX3 Regulates Immune Response and Cell Migration","RUNX2 regulates bone development","SUMOylation of intracellular receptors","Synthesis of bile acids and bile 
salts via 7alpha-hydroxycholesterol","RUNX2 regulates osteoblast differentiation","Biological oxidations","Phase I - Functionalization of compounds","Cytochrome P450 - arranged by substrate type",Xeno
biotics,"CYP2E1 reactions"}

> <broad_targets>
{AR}

> <broad_moa>
{"androgen receptor antagonist"}

> <synonyms>
{RESTW123,bicalutamide,90357-06-5,90357065,Casodex,Cosudex,"Bicalutamide (CDX)",Calutide,"ICI 176334",ICI-176334,ICI176334,"Bicalutamide (Casodex)",CHEMBL409,"ICI 176,334",MFCD00869971,Raffolutil,Kalu
mid,(R)-(-)Bicalutamide,(R)()Bicalutamide,SMR000466329,"Casodex (TN)",SR-01000759410,SR01000759410,BRN,T0380,SAM001246612,Prestw-1239,Bicalutamide,CPD000466329}

> <pdid>
PD000730

> <targets>
{Androgen Receptor,Autophagy}

> <classes>
{Autophagy,Others}

> <pubchem_cids>
{2375}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -6.4842    5.2598    0.0000 C   0  0
   -6.4790    6.7598    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 O   0  0
   -2.6109   -7.4988    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 18 20  1  0
 20 21  3  0
 12 22  2  0
 22  8  1  0
 22 23  1  0
 23 24  2  0
 24  6  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15315

> <plate>
PLATE 001

> <well>
B11

> <supplier_cmpd_name>
Erlotinib

> <ctcr_id>
2421

> <supplier_cmpd_id>
T0373

> <smiles>
COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC

> <pd_targets>
{PIP4K2C,ERBB2,BRAF,EGFR,JAK2,FLT3,FLT4,FRK,CSNK1D,TUBA1A,MET,AURKC,FLT1,RPS6KA4,ABL1,ABL2,BLK,STK10,GAK,ALK,DMPK,COQ8A,CDC42BPG,PDGFRB,MAP2K5,EPHA7,KIT,EIF2AK4,RET,ULK3,MAP3K2,LTK,TYRO3,JAK3,SYK,EPHA
3,TIE1,MAPK4,PDGFRA,CIT,FGR,LYN,TNNI3K,LCK,MYLK2,RIPK2,BMP2K,COQ8B,ERBB4,KDR,EPHA6,PKN2,SRC,AAK1,MAP3K3,SBK1,YES1,CSNK1E,CAMK2D,ERBB3,EPHB6,STK17B,CSK,EPHB4,MKNK2,MAPK9,SRPK3,MAP3K19,SLK,AURKA,AURKB,A
XL,HIPK4,GRK4,DDR1,STK17A,LRRK2,CYP3A4,MKNK1,MAPK10,STK36,EPHA8,TNK1,HCK,PLK4,MERTK,TNIK,TXK,TTK,LMNA,MINK1,SLCO2B1,DAPK3,TYK2,TBK1,DYRK2,PTK2,ABCG2,EIF2AK2,SIK2,RIPK4,EPHB1,EPHA5,ABCC2,ABCB1,RAF1,FGF
R2,PRKD2,SLC22A1,SLCO1B3,SLCO1B1,NR1I2}

> <pathway_gtopdb>
{Enzyme,"Structural protein","Unclassified protein","Other nuclear protein",Transporter,"Transcription factor",Transferase,Kinase,"Cytochrome P450","Electrochemical transporter","Primary active transp
orter","Nuclear receptor","Protein Kinase","Cytochrome P450 family 3","SLC superfamily of solute carriers","ATP-binding cassette","Nuclear hormone receptor subfamily 1","TK protein kinase group","TKL 
protein kinase group","CK1 protein kinase group","Other protein kinase group","AGC protein kinase group","STE protein kinase group","Atypical protein kinase group","CMGC protein kinase group","CAMK pr
otein kinase group","Cytochrome P450 family 3A","SLC21/SLCO family of organic anion transporting polypeptides","ABCG subfamily","ABCC subfamily","ABCB subfamily","SLC22 family of organic cation and an
ion transporters","Nuclear hormone receptor subfamily 1 group I","Tyrosine protein kinase EGFR family","TKL protein kinase RAF family","Tyrosine protein kinase JakA family","Tyrosine protein kinase PD
GFR family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Src family","CK1 protein kinase CK1 family","Tyrosine protein kinase Met family","Other protein kinase AUR family","AGC prot
ein kinase RSK family","Tyrosine protein kinase Abl family","STE protein kinase STE20 family","Other protein kinase NAK family","TKL protein kinase STKR family","AGC protein kinase DMPK family","STE p
rotein kinase STE7 family","Tyrosine protein kinase Eph family","Other protein kinase PEK family","Tyrosine protein kinase Ret family","Other protein kinase ULK family","STE protein kinase STE11 famil
y","Tyrosine protein kinase Alk family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Syk family","Tyrosine protein kinase Tie family","CMGC protein kinase MAPK family","TKL protein ki
nase MLK family","CAMK protein kinase MLCK family","TKL protein kinase RIPK family","Atypical protein kinase ABC1 family","AGC protein kinase PKN family","Other protein kinase NKF1 family","CAMK prote
in kinase CAMK2 family","CAMK protein kinase DAPK family","Tyrosine protein kinase Csk family","CAMK protein kinase MAPKAPK family","CMGC protein kinase SRPK family","CMGC protein kinase DYRK family",
"AGC protein kinase GRK family","Tyrosine protein kinase DDR family","TKL protein kinase LRRK family","Cytochrome P450 3A4","Tyrosine protein kinase Ack family","Other protein kinase PLK family","Tyro
sine protein kinase Tec family","Other protein kinase TTK family","Other protein kinase IKK family","Tyrosine protein kinase Fak family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase FGF
R family","CAMK protein kinase PKD family","Nuclear hormone receptor subfamily 1 group I member 2","AGC protein kinase MSK subfamily","STE protein kinase SLK subfamily","TKL protein kinase STKR Type 1
 subfamily","AGC protein kinase GEK subfamily","Other protein kinase GCN2 subfamily","STE protein kinase MEKK2","CMGC protein kinase ERK3","AGC protein kinase CRIK subfamily","TKL protein kinase HH498
 subfamily","Atypical protein kinase ABC1-A subfamily","CAMK protein kinase MNK subfamily","CMGC protein kinase JNK subfamily","CMGC protein kinase HIPK subfamily","AGC protein kinase GRK subfamily","
STE protein kinase MSN subfamily","CMGC protein kinase Dyrk2 subfamily","Other protein kinase PKR","CAMK protein kinase QIK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Kinases (EC 2.7.x.x)","Catalytic receptors",Tubulins,"Cytochrome P450","SLC superfamily of solute carriers","ATP-binding cassette transporter f
amily","Nuclear hormone receptors","Lipid modifying kinases","Receptor kinases","CK1: Casein kinase 1","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile
 20 kinases",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","CYP3 family","SLCO family of organic anion transporting polypeptides","ABCG 
subfamily","ABCC subfamily","ABCB subfamily","SLC22 family of organic cation and anion transporters","1I. Vitamin D receptor-like receptors","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-
kinase family)","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","Casein kinase 1 (CK1) family","Other protein kinases","RSK family","STE20 family","DMPK family","ABC1 family","STE7 family","STE11 fa
mily","Mitogen-activated protein kinases (MAP kinases)","Myosin Light Chain Kinase (MLCK) family","Protein kinase N (PKN) family","CAMK2 family","Death-associated kinase (DAPK) family","MAPK-Activated
 Protein Kinase (MAPKAPK) family","SRPK family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","G protein-coupled receptor kinases (GRKs)","CAMK-like (CAMKL) family","P
rotein kinase D (PKD) family","Organic cation transporters (OCT)","Receptor tyrosine kinases (RTKs)","RAF family","Non-receptor tyrosine kinases (nRTKs)","Aurora kinase (Aur) family","MSK subfamily","
SLK subfamily","Numb-associated kinase (NAK) family","GEK subfamily","ABC1-B subfamily","PEK family","Unc-51-like kinase (ULK) family","ERK subfamily","Other DMPK family kinases","Mixed Lineage Kinase
 (MLK) family","Receptor interacting protein kinase (RIPK) family","NAK family","NKF1 family","MKN subfamily","JNK subfamily","STE20 subfamily","HIPK subfamily","GRK4 subfamily","Leucine-rich repeat k
inase (LRRK) family","Polo-like kinase (PLK) family","MSN subfamily","TTK family","IKK family","Dyrk2 subfamily","QIK subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Janus ki
nase (JakA) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Src family","Type X RTKs: HGF (hepatocyte growth f
actor) receptor family","Abl family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XIII RTKs: Ephrin receptor family","GCN2 subfamily","Type XIV RTKs: RET","Type XI RTKs: TAM 
(TYRO3-","AXL- and MER-TK) receptor family","Syk family","Type XII RTKs: TIE family of angiopoietin receptors","HH498 subfamily","Csk family","Type XVI RTKs: DDR (collagen receptor) family","Ack famil
y","Tec family","Fak family","Other PEK family kinases","Type V RTKs: FGF (fibroblast growth factor) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Developmental Biology","Signal Transduction","Cell Cycle",Disease,"Immune System","Vesicle-mediated transport","Muscle contraction","Cellular responses to external 
stimuli","Neuronal System","Extracellular matrix organization",Metabolism,Hemostasis,"Transport of small molecules","Programmed Cell Death","Metabolism of proteins","RNA Polymerase II Transcription","
Nervous system development","Signaling by Receptor Tyrosine Kinases","Signaling by GPCR",Mitotic,"Intracellular signaling by second messengers","Infectious disease","Innate Immune System","Membrane Tr
afficking","Cardiac conduction","Diseases of signal transduction by growth factor receptors and second messengers","Cellular responses to stress","Signaling by Hedgehog","Cytokine Signaling in Immune 
system","MAPK family signaling cascades","Signaling by Rho GTPases","Transmission across Chemical Synapses","Non-integrin membrane-ECM interactions","Signaling by Non-Receptor Tyrosine Kinases","Metab
olism of lipids","Cell surface interactions at the vascular wall","SLC-mediated transmembrane transport",Apoptosis,"Abacavir transport and metabolism","Disorders of transmembrane transporters","Post-t
ranslational protein modification","Generic Transcription Pathway","Axon guidance","Signaling by NTRKs","GPCR downstream signalling","Mitotic G1 phase and G1/S transition","Signaling by Insulin recept
or","Signaling by VEGF","PIP3 activates AKT signaling","Mitotic G2-G2/M phases","Leishmania infection","Neutrophil degranulation","trans-Golgi Network Vesicle Budding","Ion homeostasis","Signaling by 
KIT in disease","Response of EIF2AK4 (GCN2) to amino acid deficiency","Hedgehog 'on' state","Signaling by Interleukins","MAPK6/MAPK4 signaling","Signaling by PDGFR in disease","RHO GTPase Effectors","
HIV Infection","Toll-like Receptor Cascades","Neurotransmitter receptors and postsynaptic signal transmission","Clathrin-mediated endocytosis","Oncogenic MAPK signaling","M Phase","Signaling by PTK6",
"Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by FGFR","Cellular Senescence","Fc epsilon receptor (FCERI) signaling","Transport of vitamins",nucleosides,"and related molecules
","Caspase activation via extrinsic apoptotic signalling pathway","Interferon Signaling","Abacavir transmembrane transport","Influenza Infection","ABC transporter disorders","MAPK1/MAPK3 signaling","S
ignaling by FGFR in disease","Sphingolipid metabolism","Transport of bile salts and organic acids","metal ions and amine compounds","Metabolism of steroids",SUMOylation,"Transcriptional Regulation by 
TP53","Semaphorin interactions","Signaling by NTRK1 (TRKA)","G alpha (q) signalling events","G1 Phase","Insulin receptor signalling cascade","VEGF ligand-receptor interactions","PTEN Regulation","G2/M
 Transition","L1CAM interactions","Parasite infection","Signaling by ROBO receptors","Transcriptional regulation by RUNX1","Golgi Associated Vesicle Biogenesis","Negative regulation of the PI3K/AKT ne
twork","EPH-Ephrin signaling","Drug resistance of KIT mutants","RET signaling","Interleukin-2 family signaling","Leishmania parasite growth and survival","Drug resistance of PDGFR mutants","RHO GTPase
s activate CIT","Host Interactions of HIV factors","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic events","VEGFA-VEGFR2 Pathway","RHO GTPases activate PKNs","Carg
o recognition for clathrin-mediated endocytosis","Interleukin-1 family signaling","Signaling by RAS mutants","Mitotic Metaphase and Anaphase","G alpha (i) signalling events","PTK6 promotes HIF1A stabi
lization","Biosynthesis of DHA-derived SPMs","Signaling by FGFR4","Oxidative Stress Induced Senescence","FCERI mediated Ca+2 mobilization","Transport of organic anions","Caspase activation via Depende
nce Receptors in the absence of ligand","Interferon alpha/beta signaling","Toll Like Receptor 4 (TLR4) Cascade","NS1 Mediated Effects on Host Pathways","Defective ABCC2 causes DJS","RAF/MAP kinase cas
cade","Signaling by FGFR2 in disease","Sphingolipid de novo biosynthesis","Organic cation/anion/zwitterion transport","Bile acid and bile salt metabolism","SUMO E3 ligases SUMOylate target proteins","
Regulation of TP53 Activity","Sema4D in semaphorin signaling","Signalling to ERKs","Gastrin-CREB signalling pathway via PKC and MAPK","Cyclin D associated events in G1","IRS-mediated signalling","VEGF
 binds to VEGFR leading to receptor dimerization","Regulation of PTEN stability and activity","Centrosome maturation","Recycling pathway of L1","Leishmania phagocytosis","Role of ABL in ROBO-SLIT sign
aling","RUNX1 regulates transcription of genes involved in BCR signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Signalling to ERK5","EPHA-mediated growth cone collapse","Dasatinib-resistan
t KIT mutants","Interleukin-15 signaling","Anti-inflammatory response favouring Leishmania parasite infection","Imatinib-resistant PDGFR mutants","The role of Nef in HIV-1 replication and disease path
ogenesis","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","VEGFR2 mediated cell proliferation","Interleukin-1 signaling","EPHB-mediated forward signaling","Signalin
g downstream of RAS mutants","Mitotic Anaphase","Visual phototransduction","Biosynthesis of maresins","Negative regulation of FGFR4 signaling","Regulation of IFNA signaling","MyD88-independent TLR4 ca
scade","Inhibition of PKR","Negative regulation of MAPK pathway","FGFR2 mutant receptor activation","Organic cation transport","Recycling of bile acids and salts","SUMOylation of intracellular recepto
rs","Regulation of TP53 Activity through Acetylation","Sema4D induced cell migration and growth-cone collapse","Prolonged ERK activation events","EGFR Transactivation by Gastrin","PI3K Cascade","Loss 
of proteins required for interphase microtubule organization from the centrosome","Sema4D mediated inhibition of cell attachment and migration","FCGR3A-mediated phagocytosis","FCGR3A-mediated IL10 syn
thesis","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","MAP kinase activation","Long-term potentiation","Signalling to RAS","CREB1 phosphorylation thr
ough NMDA receptor-mediated activation of RAS signaling","Regulation of TP53 Activity through Phosphorylation","Separation of Sister Chromatids","The phototransduction cascade","Biosynthesis of maresi
n-like SPMs","Spry regulation of FGF signaling","Nef and signal transduction","Nuclear Envelope (NE) Reassembly","TRIF(TICAM1)-mediated TLR4 signaling","Negative feedback regulation of MAPK pathway","
Activated point mutants of FGFR2","PI5P Regulates TP53 Acetylation","ARMS-mediated activation","Loss of Nlp from mitotic centrosomes","Nef Mediated CD4 Down-regulation","activated TAK1 mediates p38 MA
PK activation","p38MAPK events","Ras activation upon Ca2+ influx through NMDA receptor","MAPK targets/ Nuclear events mediated by MAP kinases",Inactivation,"recovery and regulation of the phototransdu
ction cascade","Initiation of Nuclear Envelope (NE) Reformation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{EGFR,NR1I2}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{HMS3244N19,Erlotinib,183321-74-6,183321746,"N-(3-Ethynylphenyl)-6,7-bis(2-methoxyethoxy)quinazolin-4-amine","N(3Ethynylphenyl)6,7bis(2methoxyethoxy)quinazolin4amine","Erlotinib free base","4-((3-Ethy
nylphenyl)amino)-6,7-bis(2-methoxyethoxy)quinazoline","4((3Ethynylphenyl)amino)6,7bis(2methoxyethoxy)quinazoline",OSI-774,OSI774,4-Quinazolinamine,4Quinazolinamine,N-(3-ethynylphenyl)-6,N(3ethynylphen
yl)6,7-bis(2-me,7bis(2me,T0373,S1023,Prestw-1242,"Erlotinib Hydrochloride",ERLOTINIB}

> <pdid>
PD003356

> <targets>
{EGFR(HER),EGFR}

> <classes>
{}

> <pubchem_cids>
{176870}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 28  0  0  0  0            999 V2000
    7.5973   -3.3752    0.0000 H   0  3
    5.0973   -3.3752    0.0000 Cl  0  5
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 S   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5950   -3.0008    0.0000 C   0  0
   -1.2942   -3.7494    0.0000 C   0  0
   -1.2911   -5.2502    0.0000 C   0  0
   -2.5901   -6.0004    0.0000 C   0  0
   -2.5900   -7.5004    0.0000 C   0  0
   -1.2910   -8.2503    0.0000 C   0  0
    0.0080   -7.5003    0.0000 C   0  0
    0.0080   -6.0003    0.0000 N   0  0
    1.3070   -5.2503    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 24 25  1  0
 16 26  1  0
 26  8  1  0
 26 27  2  0
 27  5  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15316

> <plate>
PLATE 001

> <well>
C2

> <supplier_cmpd_name>
Thioridazine hydrochloride

> <ctcr_id>
103

> <supplier_cmpd_id>
T0365

> <smiles>
[H+].[Cl-].CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1

> <pd_targets>
{GMNN,ALDH1A1,STAT6,MAPT,LMNA,KMT2A,PIM1,MEN1,NPSR1,CYP3A4,RORC,KDM4E,PMP22,NFO,FFP,MAPK1,TP53,RAD52,ADRA1A,HTR2A,DRD5,HTR7,DRD2,PDR5,KCNH2,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,HTT,ALB,CHRM2,SCN1A,SCN2A
,SCN3A,CHRM5,HTR2C,DRD4,REP,CHRM4,CACNA1C,HRH1,CHRM1,DRD3,HTR6,KCNJ6,HTR1A,CHRM3,HTR2B,ABCB11,HTR1B,HTR1D,HTR1F,SIGMAR1,DRD1,PSMA6,EGFR,CYP2C19,SLC6A3,HRH2,OPRK1,SLC6A2,CYP1A2,CYP2D6,SLC6A4,SCN5A,MTOR
,FYN,CACNA1D,CACNA1F,CACNA1S}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Transcription factor","Other cytosolic protein","Other nuclear protein","Epigenetic regulator","Membrane receptor",Transporter,"Ion channel","Secreted protein",Oxidored
uctase,Reader,Kinase,"Family A G protein-coupled receptor","Cytochrome P450","Nuclear receptor",Eraser,Hydrolase,Transferase,"Voltage-gated ion channel","Primary active transporter","Electrochemical t
ransporter",Bromodomain,"Protein Kinase","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Lysine demethylase","Small molecule receptor (family A GP
CR)","Potassium channels","Voltage-gated sodium channel","Voltage-gated calcium channel","ATP-binding cassette","Cytochrome P450 family 2","SLC superfamily of solute carriers","Cytochrome P450 family 
1","CAMK protein kinase group","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","Jumonji domain-containing","CMGC protein kinase grou
p","Monoamine receptor","Voltage-gated potassium channel","Inwardly rectifying potassium channel","ABCB subfamily","TK protein kinase group","Cytochrome P450 family 2C","SLC06 neurotransmitter transpo
rter family","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Atypical protein kinase group","CAMK protein kinase PIM family","Neuropeptide receptor","Cytochrome P450 3A4","Nuclear hormone rec
eptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Adrenergic receptor","Dopamine receptor","Serotonin receptor","Acetylcholine receptor","Histamine receptor","Tyrosine protein kin
ase EGFR family","Cytochrome P450 2C19","Opioid receptor","Cytochrome P450 1A1","Cytochrome P450 2D6","Atypical protein kinase PIKK family","Tyrosine protein kinase Src family","CMGC protein kinase ER
K1","Atypical protein kinase FRAP subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,"Ion channels",Transporters,"Transcription factors","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Cytochrome P450","Nuc
lear hormone receptors","Voltage-gated ion channels","Anti-infective targets","ATP-binding cassette transporter family","Sigma receptors","Catalytic receptors","SLC superfamily of solute carriers","ST
AT transcription factors","2.1.1.43 Histone methyltransferases (HMTs)","CAMK: Calcium/calmodulin-dependent protein kinases","Neuropeptide S receptor","CYP3 family","1F. Retinoic acid-related orphans",
"1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Adrenoceptors,"Dopamine receptors","5-Hydroxytryptamine receptors","Potassium channels","Acetylcholine receptors (musca
rinic)","Viral protein targets","Voltage-gated calcium channels","Histamine receptors","ABCB subfamily","Receptor kinases","CYP2 family: drug metabolising subset","SLC6 neurotransmitter transporter fa
mily","Opioid receptors","CYP1 family","Voltage-gated sodium channels",Atypical,"PIM family","Mitogen-activated protein kinases (MAP kinases)","Voltage-gated potassium channels","Coronavirus (CoV) pro
teins","Inwardly rectifying potassium channels","TK: Tyrosine kinase","Monoamine transporter subfamily","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","Receptor tyrosi
ne kinases (RTKs)","FRAP subfamily","Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Immune System","Neuronal System","Gene expression (Transcription)",Disease,"Developmental Biology","DNA Repair","Signal Transduction","Muscle contraction",Mitotic,"Biological
 oxidations","Innate Immune System","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Infect
ious disease","Metabolism of lipids","Nervous system development","Cell Cycle Checkpoints","DNA Double-Strand Break Repair","Signaling by GPCR","Cardiac conduction","Disorders of transmembrane transpo
rters","Mitotic G1 phase and G1/S transition","Phase I - Functionalization of compounds","Cytosolic sensors of pathogen-associated DNA","Neurotransmitter receptors and postsynaptic signal transmission
","M Phase","Generic Transcription Pathway","FLT3 signaling in disease","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","EGR2 and SOX10-mediated initiation of Schwan
n cell myelination","Toll-like Receptor Cascades","G1/S DNA Damage Checkpoints","Homology Directed Repair","GPCR ligand binding","Phase 3 - rapid repolarisation","Metabolism of steroids","SARS-CoV Inf
ections","Axon guidance","Regulation of mitotic cell cycle","GPCR downstream signalling","SLC transporter disorders","Neurotransmitter clearance","HIV Infection","G1/S Transition","Ethanol oxidation",
"STING mediated induction of host immune responses","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX1","Signaling by FLT3 ITD
 and TKD mutants","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Transcriptional regulation by RUNX3","Toll Like Receptor 5 (TLR5) Cascade","p53-Dependent G1/S DNA damag
e checkpoint","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Class A/1 (Rhodopsin-like receptors)","Transcriptional Regulation by MECP2","Bile acid and bile salt metabo
lism","SARS-CoV-2 Infection","NCAM signaling for neurite out-growth","GABA receptor activation","Potential therapeutics for SARS","APC/C-mediated degradation of cell cycle proteins","G alpha (q) signa
lling events","Cytochrome P450 - arranged by substrate type","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Defective SLC6A2 causes orthostatic intolerance (OI)","Serotonin clearan
ce from the synaptic cleft","L1CAM interactions","Transcriptional Regulation by TP53","Host Interactions of HIV factors","Activation of the pre-replicative complex","STAT6-mediated induction of chemok
ines","Post NMDA receptor activation events","Mitotic Anaphase","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","STAT5 activation downstream of FLT3 ITD mutants
","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresins","RUNX3 Regulates Immune Response and Cell Migration","MyD88 cascade initiated on plasma membrane","p53
-Dependent G1 DNA Damage Response","HDR through Single Strand Annealing (SSA)","Amine ligand-binding receptors","Regulation of MECP2 expression and activity","Recycling of bile acids and salts","SARS-
CoV-2 Genome Replication and Transcription","NCAM1 interactions","GABA B receptor activation","Synthesis of bile acids and bile salts","Activation of APC/C and APC/C:Cdc20 mediated degradation of mito
tic proteins","Gastrin-CREB signalling pathway via PKC and MAPK",Xenobiotics,"MECP2 regulates neuronal receptors and channels","Interaction between L1 and Ankyrins","Regulation of TP53 Activity","The 
role of Nef in HIV-1 replication and disease pathogenesis","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Biosy
nthesis of maresin-like SPMs","MAP kinase activation","Stabilization of p53",Adrenoceptors,"Serotonin receptors","Dopamine receptors","Muscarinic acetylcholine receptors","Replication of the SARS-CoV-
2 genome","Histamine receptors","Activation of GABAB receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","APC/C:Cdc20 mediated degradation of mitotic proteins","EGFR Tran
sactivation by Gastrin","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Regulation of TP53 Expression and Degradation","Nef and signal transduction","Initiation 
of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","Inhibition  of voltage gated Ca2+ channels via Gbeta/gam
ma subunits","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Regulation of TP53 Degradation","ERK/MAPK targets","Cdc20:Phospho-APC/C mediated
 degradation of Cyclin A","ERKs are inactivated"}

> <broad_targets>
{DRD1,DRD2,DRD3,DRD4,DRD5,HRH1,HTR1A,HTR2A,HTR2C,HTR6,HTR7}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{RESTW7,"Thioridazine hydrochloride",130-61-0,130610,"Thioridazine Hcl","Sonapax hydrochloride","Thioridazine chloride","Mellaril hydrochloride",Thioridazine.HCl,Aldazine,"USAF SZ-B","USAF SZB","USAF 
SZ-3","USAF SZ3","Thioridazine (hydrochloride)","Thioridazine-d3 Hydrochloride","Thioridazined3 Hydrochloride",ML,T0365,SAM002564240,1500575,Prestw-78,CPD000058380,"THIORIDAZINE HYDROCHLORIDE"}

> <pdid>
PD009853

> <targets>
{5-HT Receptor,Apoptosis,Autophagy,Bacterial,Dopamine Receptor}

> <classes>
{antipsychotic,Anti-infection,Apoptosis,Autophagy,GPCR/G Protein,Neuronal Signaling}

> <pubchem_cids>
{66062,657213}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1984    1.4977    0.0000 O   0  0
   -6.4971    0.7454    0.0000 C   0  0
   -7.7984    1.4932    0.0000 C   0  0
   -9.0971    0.7409    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -11.6971    0.7364    0.0000 C   0  0
  -11.8298   -0.7450    0.0000 N   0  0
  -13.2959   -1.0620    0.0000 N   0  0
  -14.0504    0.2345    0.0000 N   0  0
  -13.0506    1.3527    0.0000 N   0  0
  -13.3590    2.8214    0.0000 C   0  0
  -12.3278    3.9034    0.0000 C   0  0
  -12.7516    5.3423    0.0000 C   0  0
  -14.2097    5.6947    0.0000 C   0  0
  -15.2438    4.6082    0.0000 C   0  0
  -14.8200    3.1693    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 13  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
  7 24  2  0
 24 25  1  0
 25 26  2  0
 26  5  1  0
 26 27  1  0
 27  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15317

> <plate>
PLATE 001

> <well>
C3

> <supplier_cmpd_name>
Cilostazol

> <ctcr_id>
882

> <supplier_cmpd_id>
T0462

> <smiles>
O=C1CCc2cc(OCCCCc3nnnn3C4CCCCC4)ccc2N1

> <pd_targets>
{LMNA,TSHR,MAPK1,THPO,CYP3A4,PMP22,NPSR1,PDE3A,NFO,CYP2C9,CYP1A2,PDE3B,KMT2A,MEN1,RORC,ALDH1A1,BLM,CACNA1C,CACNA1D,CACNA1F,CACNA1S,ABCC4}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor",Enzyme,"Unclassified protein","Epigenetic regulator","Transcription factor","Ion channel",Transporter,"Family A G protein-coupled receptor",Kinase,"Cytochr
ome P450",Phosphodiesterase,Hydrolase,Reader,"Nuclear receptor",Oxidoreductase,"Voltage-gated ion channel","Primary active transporter","Peptide receptor (family A GPCR)","Protein Kinase","Cytochrome 
P450 family 3","Phosphodiesterase 3","Cytochrome P450 family 2","Cytochrome P450 family 1",Bromodomain,"Nuclear hormone receptor subfamily 1","Voltage-gated calcium channel","ATP-binding cassette","Gl
ycohormone receptor","CMGC protein kinase group","Cytochrome P450 family 3A","Short peptide receptor (family A GPCR)","Phosphodiesterase 3A","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Nu
clear hormone receptor subfamily 1 group F","Phosphodiesterase 3B","ABCC subfamily","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Neuropeptide receptor","Cytochrome P450 2C9","Cytochrome P4
50 1A1","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Cyclic nucleotide turnover/signalling","Nuclear hormone receptors","ATP-binding cassette transpo
rter family","Glycoprotein hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","Neuropeptide S receptor",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","CYP2 family: 
drug metabolising subset","CYP1 family","1F. Retinoic acid-related orphans","ABCC subfamily","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Cell Cycle",Disease,"Immune System",Hemostasis,Metabolism,"Developmental Biology","Signal Transduction","Gene expression (Transcription)","DNA Repair",Mitotic,"Infectious disease","Innate Immune Sys
tem","Platelet activation","signaling and aggregation","Metabolism of lipids","Nervous system development","Signaling by GPCR","Biological oxidations","RNA Polymerase II Transcription","Signaling by R
eceptor Tyrosine Kinases","DNA Double-Strand Break Repair","M Phase","Leishmania infection","Toll-like Receptor Cascades","Platelet Aggregation (Plug Formation)","Biosynthesis of specialized proresolv
ing mediators (SPMs)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR downstream signalling","Phase I - Functionalization of compounds","Generic Transcription Pathway","Signalin
g by Insulin receptor","Homology Directed Repair","Response to elevated platelet cytosolic Ca2+","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Toll Like Receptor 5 (TLR5)
 Cascade","Biosynthesis of DHA-derived SPMs","G alpha (s) signalling events","Cytochrome P450 - arranged by substrate type","Transcriptional regulation by RUNX3","Insulin receptor signalling cascade",
"Ethanol oxidation","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Platelet degranulation","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite 
infection","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins",Xenobiotics,"RUNX3 Regulates Immune Response and Cell Migration","IRS-mediated signalling","HDR through Homologous Re
combination (HRR)","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","MAP kinase activation","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Aromatic
 amines can be N-hydroxylated or N-dealkylated by CYP1A2","PI3K Cascade","Homologous DNA Pairing and Strand Exchange","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events me
diated by MAP kinases","PKB-mediated events","Presynaptic phase of homologous DNA pairing and strand exchange","ERK/MAPK targets","PDE3B signalling","ERKs are inactivated"}

> <broad_targets>
{PDE3A,PDE3B}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{cilostazol,73963-72-1,73963721,Pletal,Cilostazole,Pletaal,OPC-13013,OPC13013,Cilostazolum,"Cilostazolum (INN-Latin)","Cilostazolum (INNLatin)","OPC 13013","OPC 21",OPC-21,OPC21,"6-(4-(1-cyclohexyltet
razol-5-yl)butoxy)-3,4-dihydro-1H-quinolin-2-one","6(4(1cyclohexyltetrazol5yl)butoxy)3,4dihydro1Hquinolin2one",C20H27N5O2,6-(4-(1-Cyclohexyl-1H-tetrazol-5-,6(4(1Cyclohexyl1Htetrazol5,T0462,1505230,Pre
stw-587,Cilostazol,CILOSTAZOL}

> <pdid>
PD000554

> <targets>
{Autophagy,Phosphodiesterase (PDE)}

> <classes>
{phosphodiesterase inhibitor,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{2754}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

  5  3  0  0  0  0            999 V2000
    5.1000    1.1254    0.0000 Cl  0  0
    0.0007    0.0004    0.0000 N   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 N   0  0
    2.5993    0.0004    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15318

> <plate>
PLATE 001

> <well>
C4

> <supplier_cmpd_name>
Guanidine hydrochloride

> <ctcr_id>
6539

> <supplier_cmpd_id>
T0415

> <smiles>
Cl.NC(N)=N

> <pd_targets>
{ALDH2,KCNA1,KCNA10,KCNA2,KCNA3,KCNA4,KCNA5,KCNA6,KCNA7,KCNB1,KCNB2,KCNC1,KCNC2,KCNC3,KCNC4,KCND1,KCND2,KCND3,KCNF1,KCNG1,KCNG2,KCNG3,KCNG4,KCNH1,KCNH2,KCNH3,KCNH4,KCNH5,KCNH6,KCNH7,KCNH8,KCNQ1,KCNQ2,
KCNQ3,KCNQ4,KCNQ5,KCNS1,KCNS2,KCNS3,KCNV1,KCNV2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Oxidoreductase,"Voltage-gated ion channel","Potassium channels","Voltage-gated potassium channel"}

> <pathway_chembl>
{Enzymes,"1.-.-.- Oxidoreductases"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter clearance","Serotonin clearance from the synaptic cleft","Metabolism of serotonin"}

> <broad_targets>
{ALDH2,DLG4,GAMT,RNASE1}

> <broad_moa>
{"HSP inhibitor"}

> <synonyms>
{AKOS026749889,"Guanidine hydrochloride",50-01-1,50011,"Guanidinium chloride","guanidine HCl","Guanidine, monohydrochloride","GUANIDINE MONOHYDROCHLORIDE","Aminoformamidine hydrochloride","Aminomethan
amidine hydrochloride","Guanidine (hydrochloride)",guani,T0415,S4070,"Guanidine HCl"}

> <pdid>
PD009973

> <targets>
{Others,Endogenous Metabolite}

> <classes>
{Others,Metabolic Enzyme/Protease}

> <pubchem_cids>
{22280438,5742,5460839,10855382}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 10 11  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10  2  1  0
 10  6  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15319

> <plate>
PLATE 001

> <well>
C5

> <supplier_cmpd_name>
Mercaptopurine

> <ctcr_id>
3739

> <supplier_cmpd_id>
T0010

> <smiles>
S=C1NC=Nc2nc[nH]c12

> <pd_targets>
{ALDH1A1,FFP,ALD,PNP}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase,Transferase}

> <pathway_chembl>
{Enzymes,"2.4.2.1 Purine-nucleoside phosphorylase"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Metabolism of nucleotides","Phase I - Functionalization of compounds","Nucleobase catabolism","Ethanol oxidation","Purine catabolism"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW146,6-Mercaptopurine,6Mercaptopurine,mercaptopurine,50-44-2,50442,Purinethol,Mercapurin,6-Thiopurine,6Thiopurine,Leukerin,Leupurin,Mercaleukin,7H-purine-6-thiol,7Hpurine6thiol,6-Thioxopurine,6Th
ioxopurine,Puri-Nethol,PuriNethol,Ismipur,Mern,6-Thiohypoxanthine,6Thiohypoxanthine,6-Mercaptopurin,6Mercaptopurin,6-Purinethiol,6Purinethiol,Purimethol,Purinethiol,6-MP,6MP,1,755,NSC755,SAM002589937,
1500387,Prestw-1469,"NSC 755
NSC 755",Mercaptopurine,CPD000544948,MERCAPTOPURINE}

> <pdid>
PD001959

> <targets>
{}

> <classes>
{antineoplastic,Anti-metabolite,"purine antimetabolite"}

> <pubchem_cids>
{667490}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.1996   -1.4928    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15320

> <plate>
PLATE 001

> <well>
C6

> <supplier_cmpd_name>
Aspirin

> <ctcr_id>
6711

> <supplier_cmpd_id>
T0005

> <smiles>
CC(=O)Oc1ccccc1C(O)=O

> <pd_targets>
{GGT1,PTGS2,PTGS1,TSHR,HPGD,HSD17B10,CDC42,RAB7A,ASIC3,NAPRT,KDM4E,LEF,CHRM1,RAB2A,BLM,ALDH1A1,RAC1,ITGA2B,ITGB3,AKR1C1,PRKAA1,PRKAA2,PRKAB1,PRKAB2,PRKAG1,PRKAG2,PRKAG3,EDNRA,TP53,HSPA5,RPS6KA3,NFKBIA
,TNFAIP6,CASP1,CASP3,CCND1,MYC,PCNA}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Ion channel","Epigenetic regulator","Transcription factor","Unclassified protein","Other cytosolic protein","Other nuclear protein",Oxidoreductase,"Family A G protein-coup
led receptor",Hydrolase,"Ligand-gated ion channel",Ligase,Eraser,Protease,Kinase,"Peptide receptor (family A GPCR)","Acid-sensing ion channel","Lysine demethylase","Metallo protease","Small molecule r
eceptor (family A GPCR)","Protein Kinase","Cysteine protease","Glycohormone receptor","Jumonji domain-containing","Metallo protease MAE clan","Monoamine receptor","CAMK protein kinase group","Short pe
ptide receptor (family A GPCR)","AGC protein kinase group","Cysteine protease CD clan","Metallo protease M34 family","Acetylcholine receptor","CAMK protein kinase CAMK1 family","Endothelin receptor","
AGC protein kinase RSK family","Cysteine protease C14 family","CAMK protein kinase AMPK subfamily","AGC protein kinase RSK subfamily","Cysteine protease C14A subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Eicosanoid turnover","G protein-coupled receptors","Ligand-gated ion channels","Chromatin modifying enzymes","Catalytic receptors","Kinases (EC 2.7.x.x)","Peptidases
 and proteinases",Cyclooxygenase,"Glycoprotein hormone receptors","Prostaglandin synthases","Acid-sensing (proton-gated) ion channels (ASICs)","1.14.11.- Histone demethylases","Acetylcholine receptors
 (muscarinic)",Integrins,"Endothelin receptors","AGC: Containing PKA",PKG,"PKC families","CD: Cysteine (C) Peptidases","RSK family","C14: Caspase","RSK subfamily"}

> <pathway_reactome>
{Disease,Metabolism,"Transport of small molecules","Signal Transduction","Cell Cycle","DNA Repair","Developmental Biology","Cellular responses to external stimuli","Immune System","Gene expression (Tr
anscription)","Programmed Cell Death","Infectious disease","Metabolism of lipids","Metabolism of amino acids and derivatives","Ion channel transport","Metabolism of vitamins and cofactors","Signaling 
by GPCR",Mitotic,"DNA Double-Strand Break Repair","Biological oxidations","Nervous system development","Cell Cycle Checkpoints","Cellular responses to stress","Innate Immune System","RNA Polymerase II
 Transcription",Apoptosis,"Chromosome Maintenance","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Fatty acid metabolism","Branched-chain amino acid catabolism","In
fection with Mycobacterium tuberculosis","Stimuli-sensing channels","Metabolism of water-soluble vitamins and cofactors","Uptake and actions of bacterial toxins","GPCR ligand binding","M Phase","Homol
ogy Directed Repair","Phase I - Functionalization of compounds","Axon guidance","Metabolism of steroids","G1/S DNA Damage Checkpoints","Cellular response to heat stress","Toll-like Receptor Cascades",
"Neutrophil degranulation","Generic Transcription Pathway","Intrinsic Pathway for Apoptosis","Mitotic G1 phase and G1/S transition","Telomere Maintenance","Leishmania parasite growth and survival","Bi
osynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Biosynthesis of DHA-derived SPMs","Parasite infection","Response of Mtb to phagocytosis","Nicotinate metabolism","Uptake and function of 
anthrax toxins","Class A/1 (Rhodopsin-like receptors)","Mitotic Prophase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Ethanol oxidation","Semaphorin interactions","B
ile acid and bile salt metabolism","p53-Dependent G1/S DNA damage checkpoint","Regulation of HSF1-mediated heat shock response","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional Regulation by TP5
3","Apoptotic factor-mediated response","G1 Phase","G0 and Early G1","Extension of Telomeres","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3 SPMs","Synthe
sis of Prostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of D-series resolvins","Leishmania phagocytosis","Suppression of phagosomal maturation","Nicotinamide salvaging","Amine ligand-binding r
eceptors","Golgi Cisternae Pericentriolar Stack Reorganization","HDR through Homologous Recombination (HRR)","Sema4D in semaphorin signaling","Synthesis of bile acids and bile salts","Peptide ligand-b
inding receptors","p53-Dependent G1 DNA Damage Response","MyD88 cascade initiated on plasma membrane","TP53 Regulates Transcription of Cell Death Genes","Cytochrome c-mediated apoptotic response","Cyc
lin D associated events in G1","Transcription of E2F targets under negative control by DREAM complex","Telomere C-strand (Lagging Strand) Synthesis","LTC4-CYSLTR mediated IL4 production","ADORA2B medi
ated anti-inflammatory cytokines production","FCGR3A-mediated phagocytosis","Prevention of phagosomal-lysosomal fusion","Muscarinic acetylcholine receptors","Homologous DNA Pairing and Strand Exchange
","Sema4D mediated inhibition of cell attachment and migration","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","Stabilization of p53","MAP kinase activation","TAK1 activates NFkB b
y phosphorylation and activation of IKKs complex","TP53 Regulates Transcription of Caspase Activators and Caspases","Activation of caspases through apoptosome-mediated cleavage","Processive synthesis 
on the C-strand of the telomere","Presynaptic phase of homologous DNA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinas
es","Removal of the Flap Intermediate from the C-strand","CREB phosphorylation"}

> <broad_targets>
{AKR1C1,ASIC3,EDNRA,HSPA5,IKBKB,NFKB1,NFKB2,NFKBIA,PRKAA1,PRKAA2,PRKAB1,PRKAB2,PRKAG1,PRKAG2,PRKAG3,PTGS1,PTGS2,RPS6KA3,TP53}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{Aspergum,Aspirdrops,Benaspir,Micristin,aspirin,"ACETYLSALICYLIC ACID",50-78-2,50782,"2-Acetoxybenzoic acid","2Acetoxybenzoic acid","2-(Acetyloxy)benzoic acid","2(Acetyloxy)benzoic acid","O-Acetylsali
cylic acid","OAcetylsalicylic acid","o-Acetoxybenzoic acid","oAcetoxybenzoic acid",Acylpyrin,Easprin,Ecotrin,Acenterine,Acetophen,Polopiryna,A,T0005,1500130,Prestw-1207,Aspirin,ASPIRIN,"Acetylsalicyli
c acid"}

> <pdid>
PD002467

> <targets>
{Autophagy,COX,Mitophagy,Virus Protease}

> <classes>
{analgesic,antiinflammatory,antipyretic,Anti-infection,Autophagy,Immunology/Inflammation}

> <pubchem_cids>
{2244}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -7.8029    2.9887    0.0000 C   0  0
   -9.0983    0.7368    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 10 18  1  0
 18 19  2  0
 18 20  1  0
 20  2  1  0
 20  5  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15321

> <plate>
PLATE 001

> <well>
C7

> <supplier_cmpd_name>
Pentoxifylline

> <ctcr_id>
2338

> <supplier_cmpd_id>
T0070

> <smiles>
Cn1cnc2N(C)C(=O)N(CCCCC(C)=O)C(=O)c12

> <pd_targets>
{CHRM1,ACHE,LMNA,CHIT1,TSHR,IMPA1,CYP1A2,ADORA2B,PMP22,RXFP1,PDE4A,PDE4B,PDE4C,PDE4D,NFO,TNF,NFKB1,CHIB1,PDE10A,PDE1A,PDE1B,PDE1C,PDE2A,PDE3A,PDE3B,PDE5A,PDE6A,PDE6B,PDE6C,PDE6D,PDE6G,PDE6H,PDE7A,PDE7
B,PDE8A,PDE8B,PDE9A,ADORA2A,ADORA1,NT5E}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other nuclear protein","Unclassified protein","Secreted protein","Other cytosolic protein","Family A G protein-coupled receptor",Hydrolase,"Cytochrome P450",Phosphodiester
ase,Phosphatase,"Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Cytochrome P450 family 1","Phosphodiesterase 4","Phosphodiesterase 1","Monoamine receptor","Glycohormone r
eceptor","Cytochrome P450 family 1A","Nucleotide-like receptor (family A GPCR)","Relaxin-like peptide receptor (family A GPCR)","Phosphodiesterase 4A","Phosphodiesterase 1A","Acetylcholine receptor","
Cytochrome P450 1A1","Adenosine receptor","Relaxin receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Acetylcholine turnover","Inositol phosphate turnover","Cytochrome P450","Adenosine turnover","Acetylcholine receptors (muscarinic)","Glycoprotein horm
one receptors","Inositol monophosphatase","CYP1 family","Adenosine receptors","Relaxin family peptide receptors"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Cell Cycle","Digestion and absorption",Disease,"Developmental Biology","Immune System","Signaling by GPCR","Metabolism of lipids",Mitotic,Digestion,"Infectious disea
se","Inositol phosphate metabolism","Biological oxidations","Nervous system development","Cytokine Signaling in Immune system","GPCR ligand binding","Phospholipid metabolism","M Phase","Digestion of d
ietary carbohydrate","Leishmania infection","Synthesis of IP2",IP,"and Ins in the cytosol","Phase I - Functionalization of compounds","EGR2 and SOX10-mediated initiation of Schwann cell myelination","
Signaling by Interleukins","Class A/1 (Rhodopsin-like receptors)","Glycerophospholipid biosynthesis","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Cytochrome P450 - arran
ged by substrate type","Interleukin-10 signaling","Interleukin-1 family signaling","Cell recruitment (pro-inflammatory response)","Amine ligand-binding receptors","Synthesis of PC","Mitotic Anaphase",
"Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Interleukin-1 signaling","Nucleotide-like (purinergic) receptors","Purinergic signaling in leishmaniasis infection","M
uscarinic acetylcholine receptors","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP3
K8 (TPL2)-dependent MAPK1/3 activation","Adenosine P1 receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADORA1,ADORA2A,ADORA2B,ADRA2B,NT5E,PDE10A,PDE1A,PDE1B,PDE1C,PDE2A,PDE3A,PDE3B,PDE4A,PDE4B,PDE4C,PDE4D,PDE5A,PDE6A,PDE6B,PDE6C,PDE6D,PDE6G,PDE6H,PDE7A,PDE7B,PDE8A,PDE8B,PDE9A,TNF}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{pentoxifylline,Trental,6493-05-6,6493056,Oxpentifylline,Pentoxifyllin,Torental,Pentoxyphylline,Dimethyloxohexylxanthine,Pentoxiphyllium,Vazofirin,Pentoxiphylline,Rentylin,"3,7-Dimethyl-1-(5-oxohexyl)
xanthine","3,7Dimethyl1(5oxohexyl)xanthine","BL 191",Pentoxyphyllin,3,7-Dihydro-3,7Dihydro3,T0070,NSC637086,SAM001247011,1503611,Prestw-196,"NSC 637086",Pentoxifylline,CPD000035998,PENTOXIFYLLINE}

> <pdid>
PD000975

> <targets>
{Autophagy,HIV,Phosphodiesterase (PDE)}

> <classes>
{bronchodilator,PDE inhibitor,vasodilator,Anti-infection,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{4740}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 S   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3015   -2.2494    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0095   -6.0029    0.0000 C   0  0
   -0.0126   -7.5029    0.0000 C   0  0
   -1.3132   -8.2502    0.0000 C   0  0
   -1.3162   -9.7502    0.0000 N   0  0
   -2.6106   -7.4975    0.0000 C   0  0
   -2.6076   -5.9975    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15322

> <plate>
PLATE 001

> <well>
C8

> <supplier_cmpd_name>
Sulfalen

> <ctcr_id>
10941

> <supplier_cmpd_id>
T0026

> <smiles>
COc1nccnc1NS(=O)(=O)c1ccc(N)cc1

> <pd_targets>
{KMT2A,MEN1,FOLP}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Transferase,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"PABA antagonist"}

> <synonyms>
{SULFALENE,152-47-6,152476,Sulfametopyrazine,Sulfamethoxypyrazine,Sulfalen,Sulfamethopyrazine,4-amino-N-(3-methoxypyrazin-2-yl)benzenesulfonamide,4aminoN(3methoxypyrazin2yl)benzenesulfonamide,Kelfizin
e,Longum,Sulfapyrazinemethoxine,Sulfapyrazinemethoxyne,Kelfizin,Kelfizina,Polycidal,Dalysep,Sulfapyr,T0026}

> <pdid>
PD009861

> <targets>
{DHPS}

> <classes>
{Autophagy}

> <pubchem_cids>
{9047}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
    8.9990   -3.3752    0.0000 Cl  0  5
    6.4983   -0.7414    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  3
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -3.9051   -5.2503    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
    1.2911   -5.2504    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 15  1  0
 21 22  1  0
M  CHG  2   1  -1  14   1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15323

> <plate>
PLATE 001

> <well>
C9

> <supplier_cmpd_name>
Bupivacaine hydrochloride

> <ctcr_id>
3392

> <supplier_cmpd_id>
T0030

> <smiles>
[Cl-].CCCCN1CCCCC1C(=O)[NH2+]c2c(C)cccc2C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Bupivacaine HCL",18010-40-7,14252-80-3,Vivacaine,"Bupivacaine (hydrochloride)","1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride",Marcain,AH-2250,"Win 11,318",CHEBI:31322,"1-Buty
l-N-(2,6-dimethylphenyl)-2-piperidinecarboxamide monohydrochloride",Bloqueina,LAC-43,"(S)-Bupivacaine hydrochloride",Bicain,"Marcaine Spinal","1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide;hy
drochloride",SMR000058218,"(+-)-Bupivacaine hydrochloride","Bupivacaine hydrochloride (JAN)",WIN-11318,"MNarcaine hydrochloride","EINECS 241-917-8","14252-80-3 (HCl)","73360-54-0 (HCl.H2O)","Bupivacai
ne hydrochloride kit","LAC 43",SR-05000001874,"Bupivacaine hydrochloride anhydrous","levobupivacaine hydrochloride (anhydrous)","2',6'-Pipecoloxylidide, 1-butyl-, hydrochloride","SKY 0302",Prestwick_8
94,"2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-, monohydrochloride","2',6'-Pipecoloxylidide, 1-butyl-, monohydrochloride","AH 2250","Marcaine hydrochloride preservation free","(S)-Bupivac
aine HCl","bupivacain hydrochloride","Bupivacaine hydrochloride preservation free","Bupivacaine hydrochloride rs","bupivacaine monohydrochloride","Win 11318 HCl",SCHEMBL34374,MLS001361336,MLS002154259
,SPECTRUM1503818,"Bupivacaine-(d9) Hydrochloride",CHEMBL1200396,DTXSID0030877,CHEBI:77441,HY-B0405A,AOB6341,HMS1568N12,HMS1922I12,Pharmakon1600-01503818,"Bupivacaine hydrochloride (Marcain)",ACT04725,
BCP22697,BCP22708,"bupivacaine hydrochloride (anhydrous)",CCG-39367,MFCD00078956,NSC119660,NSC758631,s2454,AKOS015889322,BCP9000461,FD-0235,MCULE-5414144502,NSC-119660,NSC-758631,NCGC00095072-01,NCGC0
0095072-02,H875,ST013772,B3925,FT-0607564,FT-0623287,FT-0658830,FT-0663897,FT-0663899,SW197015-3,52B803,K-4565,J-011502,Q-100158,SR-05000001874-3,Q27888209,"1-butyl-2-piperidylformo-2',6'-xylidide hyd
rochloride","2',6'-Pipecoloxylidide, 1-butyl-, hydrochloride, (+-)-","2-Piperidinecarboxamide,6-dimethylphenyl)-, hydrochloride","1-butyl-2-((2,6-dimethylphenyl)carbamoyl)piperidinium chloride","N-(2,
6-dimethylphenyl)(1-butyl(2-piperidyl))carboxamide, chloride","rac-1-butyl-2-((2,6-dimethylphenyl)carbamoyl)piperidinium chloride","2-Piperidinecarboxamide, 1-butyl-N-(2,6-dimethylphenyl)-,monohydroch
loride","rac-1-butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochloride",15233-43-9,AKOS026749767,FT-0651247,S2454,1503818,Prestw-305,"Bupivacaine HCl","BUPIVACAINE HYDROCHLORIDE","Bupivacai
ne HCl","Bupivacaine hydrochloride"}

> <pdid>

> <targets>
{Others}

> <classes>
{"anesthetic (local)","GPCR & G Protein"}

> <pubchem_cids>
{49852290,43834309,64737,68509175}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 17  0  0  0  0            999 V2000
    8.9894   -3.3822    0.0000 Cl  0  5
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    6.4889   -5.2601    0.0000 C   0  0
    6.4894   -3.7601    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  3
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 12  1  0
M  CHG  2   1  -1  16   1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15324

> <plate>
PLATE 001

> <well>
C10

> <supplier_cmpd_name>
Procainamide hydrochloride

> <ctcr_id>
787

> <supplier_cmpd_id>
T0018

> <smiles>
[Cl-].CCN(CC)CCNC(=O)c1ccc([NH3+])cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"procainamide hydrochloride","Procainamide Hcl",614-39-1,614391,"614 39 1",Pronestyl,Procanbid,Procapan,Procan,"Procainamide (hydrochloride)","4-amino-N-(2-(diethylamino)ethyl)benzamide hydrochloride
","4aminoN(2(diethylamino)ethyl)benzamide hydrochloride","4aminoN(2(diethylamino)ethyl)benzamide hydr",SAM002554928,1500503,Prestw-337,CPD000059079,"PROCAINAMIDE HYDROCHLORIDE","Procainamide hydrochlo
ride"}

> <pdid>

> <targets>
{}

> <classes>
{antiarrhythmic}

> <pubchem_cids>
{43833392,66068,44272299,657275}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    3.8919   -4.7570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.6051   -5.9945    0.0000 N   0  3
    2.6101   -7.4945    0.0000 O   0  5
    3.4696   -5.4919    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8926   -3.7566    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12  6  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 17 19  1  0
 19 20  1  0
 19 21  2  0
 11 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 10 26  1  0
M  CHG  2  19   1  20  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15325

> <plate>
PLATE 001

> <well>
C11

> <supplier_cmpd_name>
Nitrendipine

> <ctcr_id>
2333

> <supplier_cmpd_id>
T0119

> <smiles>
CCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OC)C

> <pd_targets>
{BLM,CACNA1C,CACNA1D,CACNA1F,CACNA1S,PTAFR,LMNA,MAPT,ABCB11,KCNN4,SCN1A,SCN2A,SCN3A,FTL,ADORA2A,KCNH2,ADORA1,PMP22,SCN10A,SCN11A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A,GMNN,ADORA3,ABCB1,CYP2C19,MTOR,TRPA1,CYP2
C9,CACNA2D1,CACNB2,CACNA2D2,CACNA1H,CYP1A2,NFKB1,THPO,KMT2A,MEN1,TSHR,CYP3A4,HIF1A,CYP2D6,LEF}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Membrane receptor","Other nuclear protein","Other cytosolic protein",Transporter,"Unclassified protein","Auxiliary transport protein","Voltage-gated ion channel","Family A G pro
tein-coupled receptor","Primary active transporter","Cytochrome P450",Kinase,"Calcium channel auxiliary subunit alpha2delta family","Calcium channel auxiliary subunit beta family","Voltage-gated calci
um channel","Small molecule receptor (family A GPCR)","ATP-binding cassette","Potassium channels","Voltage-gated sodium channel","Cytochrome P450 family 2","Protein Kinase","Transient receptor potenti
al channel","Lipid-like ligand receptor (family A GPCR)","ABCB subfamily","Calcium-activated potassium channel","Nucleotide-like receptor (family A GPCR)","Voltage-gated potassium channel","Cytochrome
 P450 family 2C","Atypical protein kinase group","PAF receptor","Adenosine receptor","Cytochrome P450 2C19","Atypical protein kinase PIKK family","Cytochrome P450 2C9","Atypical protein kinase FRAP su
bfamily","Epigenetic regulator","Transcription factor",Reader,"Cytochrome P450 family 1",Bromodomain,"Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 1A","Glycohor
mone receptor","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Cytochrome P450 1A1","Cytochrome P450 3A4","Cytochrome P450 2D6",Protease,"Metallo protease","Metallo protease MAE clan","Metall
o protease M34 family"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels",Enzymes,"G protein-coupled receptors","ATP-binding cassette transporter family","Voltage-gated ion channels","Cytochrome P450","Kinases (EC 2.7.x.x)","Platelet-a
ctivating factor receptor","ABCB subfamily","Potassium channels","Voltage-gated calcium channels","Adenosine receptors","CYP2 family: drug metabolising subset",Atypical,"Transient Receptor Potential c
hannels","Calcium- and sodium-activated potassium channels","Voltage-gated potassium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily","CYP1 family","Glycoprot
ein hormone receptors","CYP3 family"}

> <pathway_reactome>
{"DNA Repair","Immune System","Cell Cycle","Neuronal System",Metabolism,"Vesicle-mediated transport","Developmental Biology",Disease,"Muscle contraction","Signal Transduction","Gene expression (Transc
ription)","Transport of small molecules","DNA Double-Strand Break Repair","Cytokine Signaling in Immune system",Mitotic,"Transmission across Chemical Synapses","Metabolism of lipids","Potassium Channe
ls","Membrane Trafficking","Nervous system development","Infectious disease","Cardiac conduction","Signaling by GPCR","Abacavir transport and metabolism","Biological oxidations","RNA Polymerase II Tra
nscription","Ion channel transport","Integration of energy metabolism","Homology Directed Repair","Interferon Signaling","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Me
tabolism of steroids","Ca2+ activated K+ channels","trans-Golgi Network Vesicle Budding","Axon guidance","Leishmania infection","Phase 3 - rapid repolarisation","GPCR ligand binding","EGR2 and SOX10-m
ediated initiation of Schwann cell myelination","Mitotic G1 phase and G1/S transition","Abacavir transmembrane transport","Phase I - Functionalization of compounds","Generic Transcription Pathway","St
imuli-sensing channels","Regulation of insulin secretion","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Interferon gamma signaling","Mitotic Metaphase and Anaphase","A
ctivation of NMDA receptors and postsynaptic events","Bile acid and bile salt metabolism","Golgi Associated Vesicle Biogenesis","NCAM signaling for neurite out-growth","Leishmania parasite growth and 
survival","Class A/1 (Rhodopsin-like receptors)","G1/S Transition","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by TP53","TRP channels",Adrenaline,"noradrenaline inhibits
 insulin secretion","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Post NMDA receptor activation events","Synthesis of bile acids and bile salts","NCAM1 interactions","Anti-inflammat
ory response favouring Leishmania parasite infection","Nucleotide-like (purinergic) receptors","Activation of the pre-replicative complex",Xenobiotics,"Regulation of TP53 Activity","Homologous DNA Pai
ring and Strand Exchange","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","ADORA2B mediated anti-inf
lammatory cytokines production","Adenosine P1 receptors","CYP2E1 reactions","Regulation of TP53 Expression and Degradation","Presynaptic phase of homologous DNA pairing and strand exchange","Initiatio
n of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation",Hemostasis,"Cellular responses to external stimuli","Platelet activation","signaling and aggregation","Cellular responses to st
ress","Signaling by Interleukins","Platelet Aggregation (Plug Formation)","Biosynthesis of specialized proresolving mediators (SPMs)","Cellular response to hypoxia","Interleukin-1 family signaling","B
iosynthesis of DHA-derived SPMs","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Interleukin-1 signaling","Biosynthesis of maresins","Aromatic amines can be N-hydroxylated 
or N-dealkylated by CYP1A2","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Uptake and actions of bacterial toxins","Uptake and function of anthrax toxins"}

> <broad_targets>
{CACNA1D,CACNA2D1,KCNN4}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{nitrendipine,39562-70-4,39562704,Baypress,Bayotensin,Nidrel,Nitrendipin,Nitrendipinum,Bay-e-5009,Baye5009,Nitrendipino,Bylotensin,Deiten,"BAY e 5009","Nitrendipinum (INN-Latin)","Nitrendipinum (INNLa
tin)","Nitrendipino (INN-Spanish)","Nitrendipino (INNSpanish)",CHEBI:7582,MFCD00082255,MLS000069349,NCGC00015713-07,NCGC0001571307,T0119,Prestw-916,Nitrendipine}

> <pdid>
PD002662

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4507}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 43 47  0  0  0  0            999 V2000
    3.8919   -4.7570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.6051   -5.9945    0.0000 N   0  3
    2.6101   -7.4945    0.0000 O   0  5
    3.4696   -5.4919    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -4.2368   -5.1800    0.0000 C   0  0
   -5.6857   -4.7918    0.0000 N   0  0
   -5.2974   -3.3429    0.0000 C   0  0
   -6.9811   -5.5374    0.0000 C   0  0
   -8.2796   -4.7848    0.0000 C   0  0
   -8.2803   -3.2848    0.0000 C   0  0
   -9.5796   -2.5353    0.0000 C   0  0
  -10.8784   -3.2858    0.0000 C   0  0
  -10.8778   -4.7858    0.0000 C   0  0
   -9.5785   -5.5353    0.0000 C   0  0
   -6.9827   -7.0382    0.0000 C   0  0
   -5.6859   -7.7923    0.0000 C   0  0
   -5.6905   -9.2923    0.0000 C   0  0
   -6.9919  -10.0383    0.0000 C   0  0
   -8.2886   -9.2843    0.0000 C   0  0
   -8.2840   -7.7843    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13  7  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 12 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 26  1  0
 28 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
 30 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 37  1  0
 11 43  1  0
M  CHG  2  20   1  21  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15326

> <plate>
PLATE 001

> <well>
D2

> <supplier_cmpd_name>
Azelnidipine

> <ctcr_id>
4451

> <supplier_cmpd_id>
T0121

> <smiles>
CC(C)OC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OC3CN(C3)C(c4ccccc4)c5ccccc5)N

> <pd_targets>
{KMT2A,MEN1,RORC,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNB1}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor","Ion channel",Reader,"Nuclear receptor","Voltage-gated ion channel",Bromodomain,"Nuclear hormone receptor subfamily 1","Voltage-gated calcium channel","N
uclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","Developmental Biology","RNA Polymerase II Transcription","Nervous system development","Generic Transcription Pathway","Axon guidance","Transcriptional regulation by
 RUNX3","NCAM signaling for neurite out-growth","RUNX3 Regulates Immune Response and Cell Migration","NCAM1 interactions"}

> <broad_targets>
{CACNA1C}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{Azelnidipine,123524-52-7,123524527,CS-905,CS905,RS-9054,RS9054,MFCD00865803,NCGC00167436-01,NCGC0016743601,NCGC00167436-02,NCGC0016743602,Calblock,DSSTox_CID_120,DSSToxCID120,DSSTox-CID-120,"DSSTox C
ID 120",DSSTox_RID_75382,DSSToxRID75382,DSSTox-RID-75382,"DSSTox RID 75382",DSSTox_GSID_20120,DSSToxGSID20120,DSSTox-GSID-20120,"DSSTox GSID 20120","Azelnidipine (INN)","CS 905",CAS-123524-52-7,CAS123
524527,"CCRIS 8650",C33H34N4O6,"Calblock (TN)",ACMC-20a64r,ACMC20a64r,T0121,S3053}

> <pdid>
PD008993

> <targets>
{"Calcium Channel"}

> <classes>
{"Transmembrane Transporters"}

> <pubchem_cids>
{65948}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 30  0  0  0  0            999 V2000
   10.0036    0.3134    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  3
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    3.8971    0.7500    0.0000 C   0  0
    5.1962    1.5000    0.0000 C   0  0
    5.1961    3.0000    0.0000 C   0  0
    6.6219    3.4636    0.0000 O   0  0
    7.5036    2.2501    0.0000 C   0  0
    6.6219    1.0365    0.0000 O   0  0
    3.8971    3.7500    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.9095   -2.9665    0.0000 O   0  0
   -4.4013   -3.1233    0.0000 C   0  0
   -5.0114   -1.7530    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  7  1  0
  8 12  1  0
 12 13  2  0
 13  5  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16  4  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
 21 25  1  0
 25 17  1  0
 25 26  2  0
 26  3  1  0
M  CHG  2   1  -1   3   1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15327

> <plate>
PLATE 001

> <well>
D3

> <supplier_cmpd_name>
Sanguinarine chloride

> <ctcr_id>
10950

> <supplier_cmpd_id>
T0129

> <smiles>
[Cl-].C[n+]1c2c3cc4c(OCO4)cc3ccc2c2ccc3c(OCO3)c2c1

> <pd_targets>
{HSD17B10,BCL2L1,RGS17,NFKB1,KDM4E,USP2,HPGD,CYP3A4,CYP2C9,STAT6,CYP2C19,RORC,ALOX15,ALOX12,CYP2D6,LMNA,MAPT,HIF1A,ALDH1A1,CHRM1,THPO,TP53,PKM,MAPK1,LEF,GNAI1,RGS12,CYP1A2,CDC42,BAD,HTT,TSHR,RAC1,PYK,
ALD,FFP,NFO,NPSR1,GMNN,BLM,KMT2A,MEN1,PMP22,POLB,NFKB2,RELA,MTOR}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Unclassified protein","Other cytosolic protein","Epigenetic regulator","Transcription factor","Other nuclear protein","Membrane receptor",Oxidoreductase,"Other ion channel",Eras
er,Protease,"Cytochrome P450","Nuclear receptor","Family A G protein-coupled receptor",Kinase,Hydrolase,Transferase,Reader,"Miscellaneous ion channel","Lysine demethylase","Cysteine protease","Cytochr
ome P450 family 3","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","Protein Kinase","Metallo protease","Cytochrome P450 family 1","Peptide r
eceptor (family A GPCR)",Bromodomain,"Bcl-2 family","Jumonji domain-containing","Cysteine protease CA clan","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 
1 group F","Cytochrome P450 family 2D","Monoamine receptor","CMGC protein kinase group","Metallo protease MAE clan","Cytochrome P450 family 1A","Glycohormone receptor","Short peptide receptor (family 
A GPCR)","Atypical protein kinase group","Cysteine protease C19 family","Cytochrome P450 3A4","Cytochrome P450 2C9","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group F member 3","Cyto
chrome P450 2D6","Acetylcholine receptor","CMGC protein kinase MAPK family","Metallo protease M34 family","Cytochrome P450 1A1","Neuropeptide receptor","Cysteine protease C1A family","Atypical protein
 kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,"B-cell lymphoma 2 (Bcl-2) protein family","Regulators of G protein Signaling (RGS) proteins","Chromatin modifying enzymes","Peptidases and proteinases","Eic
osanoid turnover","Cytochrome P450","Transcription factors","Nuclear hormone receptors","G protein-coupled receptors","2.7.1.40 Pyruvate kinases","Kinases (EC 2.7.x.x)","RZ family","1.14.11.- Histone 
demethylases","CA: Cysteine (C) Peptidases","Prostaglandin synthases","CYP3 family","CYP2 family: drug metabolising subset","STAT transcription factors","1F. Retinoic acid-related orphans",Lipoxygenas
es,"Acetylcholine receptors (muscarinic)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP1 family","R12 family","Glycoprotein hormone receptors","Neuropeptide S receptor","2.1.1.43 Histone methyl
transferases (HMTs)",Atypical,"C19: Ubiquitin-specific protease","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP
 subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Immune System","Gene expression (Transcription)","Cell Cycle","Neuronal System","Cellular responses to external stimuli",Hemostasis,"Programmed Cell Death","
Developmental Biology","DNA Repair","Metabolism of amino acids and derivatives","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by GPCR","Cytokine Signali
ng in Immune system","RNA Polymerase II Transcription","Metabolism of lipids","Biological oxidations","Innate Immune System",Mitotic,"Transmission across Chemical Synapses","Cellular responses to stre
ss","Platelet activation","signaling and aggregation","Cell Cycle Checkpoints","Metabolism of carbohydrates","Infectious disease",Apoptosis,"Nervous system development","DNA Double-Strand Break Repair
","Base Excision Repair","Branched-chain amino acid catabolism","FLT3 signaling in disease","GPCR downstream signalling","Signaling by Interleukins","Generic Transcription Pathway","Biosynthesis of sp
ecialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Cytosolic sensors of pathogen-associated DNA","M Phase","Neurotransmitter receptors and postsynaptic signal transmi
ssion","Cellular response to hypoxia","GPCR ligand binding","Platelet Aggregation (Plug Formation)","G1/S DNA Damage Checkpoints","Glucose metabolism","Toll-like Receptor Cascades","Uptake and actions
 of bacterial toxins","Leishmania infection","Intrinsic Pathway for Apoptosis","Axon guidance","Mitotic G1 phase and G1/S transition","Homology Directed Repair","EGR2 and SOX10-mediated initiation of 
Schwann cell myelination","Resolution of Abasic Sites (AP sites)","Signaling by FLT3 ITD and TKD mutants","G alpha (i) signalling events","Interleukin-1 family signaling","Transcriptional Regulation b
y TP53","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","STING mediated induction of host immune responses","Transcriptional regulation by RUNX3","Biosynthesis of DPA
-derived SPMs","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Ethanol oxidation","C
lass A/1 (Rhodopsin-like receptors)","p53-Dependent G1/S DNA damage checkpoint",Glycolysis,"Toll Like Receptor 5 (TLR5) Cascade","Uptake and function of anthrax toxins","Parasite infection","Activatio
n of BH3-only proteins","Transcriptional Regulation by MECP2","Leishmania parasite growth and survival","Semaphorin interactions","G1/S Transition","HDR through Homologous Recombination (HRR) or Singl
e Strand Annealing (SSA)","Transcriptional regulation by RUNX1","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","STAT5 activation downstream of FLT3 ITD mutants","Interl
eukin-1 signaling","Regulation of TP53 Activity","Biosynthesis of D-series resolvins","Biosynthesis of maresins",Xenobiotics,"STAT6-mediated induction of chemokines","RUNX3 Regulates Immune Response a
nd Cell Migration","Biosynthesis of DPAn-3 SPMs","Mitotic Anaphase","Post NMDA receptor activation events","Amine ligand-binding receptors","p53-Dependent G1 DNA Damage Response","MyD88 cascade initia
ted on plasma membrane","Leishmania phagocytosis","Activation of BAD and translocation to mitochondria","Regulation of MECP2 expression and activity","Anti-inflammatory response favouring Leishmania p
arasite infection","Sema4D in semaphorin signaling","Activation of the pre-replicative complex","HDR through Homologous Recombination (HRR)","RUNX1 regulates genes involved in megakaryocyte differenti
ation and platelet function","PCNA-Dependent Long Patch Base Excision Repair","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Regulation of TP53 Expression and Degradation","Biosynthesis of maresin-like
 SPMs","CYP2E1 reactions","Biosynthesis of DPAn-3-derived protectins and resolvins","Biosynthesis of DPAn-3-derived maresins","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDAR
s","Muscarinic acetylcholine receptors","Stabilization of p53","MAP kinase activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","FCGR3A-mediated phagocytosis","ADORA2B mediat
ed anti-inflammatory cytokines production","Sema4D mediated inhibition of cell attachment and migration","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Degradation","Initiation of Nu
clear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchan
ge","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CASP3}

> <broad_moa>
{"apoptosis stimulant"}

> <synonyms>
{"SANGUINARINE CHLORIDE",5578-73-4,5578734,"Sanguinarium Chloride","Sanguinarine chloride hydrate",Viadent,"Sanguinarine (chloride)","Sanguinarine hydrochloride",UNII-B8Z8J4400H,UNIIB8Z8J4400H,CHEMBL4
90129,"5578-73-4 (chloride)","5578734 (chloride)",B8Z8J4400H,Pseudocheleryt,T0129,"Sanguinarine chloride"}

> <pdid>
PD014367

> <targets>
{Egr-1,VEGFR}

> <classes>
{Angiogenesis,"JAK/STAT signaling","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{68635}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.5133   -2.9102    0.0000 C   0  0
    1.9910   -3.1685    0.0000 C   0  0
    2.5062   -4.5772    0.0000 C   0  0
    1.5439   -5.7278    0.0000 C   0  0
    0.0662   -5.4697    0.0000 C   0  0
   -0.8961   -6.6203    0.0000 Cl  0  0
   -0.4490   -4.0609    0.0000 C   0  0
   -1.9267   -3.8029    0.0000 Cl  0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8926   -3.7566    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12  6  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 13  1  0
 19 20  1  0
 11 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 10 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15328

> <plate>
PLATE 001

> <well>
D4

> <supplier_cmpd_name>
Felodipine

> <ctcr_id>
5436

> <supplier_cmpd_id>
T0145

> <smiles>
CCOC(=O)C1=C(C)NC(=C(C1c2cccc(Cl)c2Cl)C(=O)OC)C

> <pd_targets>
{SCN1A,SCN2A,SCN3A,AURKB,LMNA,NPSR1,NS1,BLM,GMNN,NR1H4,CFTR,NFO,NR1I2,PMP22,KDM4E,MAPT,ABCB1,ADORA3,ABCB11,CYP2C9,MTOR,CACNA1C,CACNA1D,CACNA1F,CACNA1S,NR3C2,CACNA2D1,CACNB2,CACNA1H,CACNA2D2,CALM1,PDE1
B,PDE1A,TNNC2,TNNC1,HSD17B10,CYP2C19,ALDH1A1,LEF,CYP1A2,HIF1A,CYP3A4,HPGD}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Other nuclear protein","Membrane receptor","Unclassified protein","Transcription factor","Epigenetic regulator","Other cytosolic protein",Transporter,"Auxiliary transport protei
n","Voltage-gated ion channel",Protease,Kinase,"Family A G protein-coupled receptor","Nuclear receptor","Other ion channel",Hydrolase,Eraser,"Primary active transporter","Cytochrome P450","Calcium cha
nnel auxiliary subunit alpha2delta family","Calcium channel auxiliary subunit beta family",Phosphodiesterase,Oxidoreductase,"Voltage-gated sodium channel","Cysteine protease","Protein Kinase","Peptide
 receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Chloride channel","Lysine demethylase","ATP-binding cassette","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","V
oltage-gated calcium channel","Nuclear hormone receptor subfamily 3","Phosphodiesterase 1","Metallo protease","Cytochrome P450 family 1","Cytochrome P450 family 3","Cysteine protease CA clan","Other p
rotein kinase group","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group H","Cystic fibrosis transmembrane conductance regulator","Nuclear hormone receptor subfamily 1
 group I","Jumonji domain-containing","ABCB subfamily","Nucleotide-like receptor (family A GPCR)","Cytochrome P450 family 2C","Atypical protein kinase group","Nuclear hormone receptor subfamily 3 grou
p C","Phosphodiesterase 1B","Phosphodiesterase 1A","Metallo protease MAE clan","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Cysteine protease C1A family","Other protein kinase AUR family",
"Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group H member 4","Nuclear hormone receptor subfamily 1 group I member 2","Adenosine receptor","Cytochrome P450 2C9","Atypical protein kin
ase PIKK family","Nuclear hormone receptor subfamily 3 group C member 2","Cytochrome P450 2C19","Metallo protease M34 family","Cytochrome P450 1A1","Cytochrome P450 3A4","Atypical protein kinase FRAP 
subfamily"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,Transporters,"Catalytic receptors","G protein-coupled receptors","Nuclear hormone receptors","Other ion channels","Chromatin modifying enzymes","ATP-binding cassette 
transporter family","Cytochrome P450","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Cyclic nucleotide turnover/signalling","Eicosanoid turnover","Receptor kinases","Neuropeptide S receptor","1H
. Liver X receptor-like receptors","Chloride channels","1I. Vitamin D receptor-like receptors","1.14.11.- Histone demethylases","ABCB subfamily","Adenosine receptors","CYP2 family: drug metabolising s
ubset",Atypical,"Steroid hormone receptors","Voltage-gated calcium channels",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","CYP1 family","CYP3 family","Prostaglandin synthases","Other protein ki
nases",CFTR,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","3C. 3-Ketosteroid receptors","Aurora kinase (Aur) family","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle",Disease,"DNA Repair",Metabolism,Autophagy,"Metabolism of proteins","Developmental Biology","Neuronal System","Signal Transduction","Gene expression (Transcription)","Muscle contraction",
"Cellular responses to external stimuli",Mitotic,"Infectious disease","DNA Double-Strand Break Repair","Metabolism of lipids",Macroautophagy,"Post-translational protein modification","Nervous system d
evelopment","Transmission across Chemical Synapses","Abacavir transport and metabolism","Signaling by GPCR","Biological oxidations","RNA Polymerase II Transcription","Integration of energy metabolism"
,"Intracellular signaling by second messengers","Striated Muscle Contraction","Metabolism of amino acids and derivatives","Cellular responses to stress","M Phase","Leishmania infection","Homology Dire
cted Repair","Mitotic G1 phase and G1/S transition","Metabolism of steroids","Selective autophagy",SUMOylation,"EGR2 and SOX10-mediated initiation of Schwann cell myelination","Neurotransmitter recept
ors and postsynaptic signal transmission","Abacavir transmembrane transport","GPCR ligand binding","Phase I - Functionalization of compounds","Generic Transcription Pathway","Axon guidance","Regulatio
n of insulin secretion","DAG and IP3 signaling","Branched-chain amino acid catabolism","Uptake and actions of bacterial toxins","Cellular response to hypoxia","Biosynthesis of specialized proresolving
 mediators (SPMs)","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","G1/S Transition","Bile acid
 and bile salt metabolism",Aggrephagy,"SUMO E3 ligases SUMOylate target proteins","Activation of NMDA receptors and postsynaptic events","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arran
ged by substrate type","Transcriptional Regulation by TP53","NCAM signaling for neurite out-growth",Adrenaline,"noradrenaline inhibits insulin secretion","CaM pathway","Ethanol oxidation","Uptake and 
function of anthrax toxins","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Mitotic Anaphase","Anti-inflammatory response favouring Leish
mania parasite infection","HDR through Homologous Recombination (HRR)","Activation of the pre-replicative complex","Synthesis of bile acids and bile salts","SUMOylation of intracellular receptors","Po
st NMDA receptor activation events","Nucleotide-like (purinergic) receptors",Xenobiotics,"Regulation of TP53 Activity","NCAM1 interactions","Calmodulin induced events","Biosynthesis of maresins","Bios
ynthesis of D-series resolvins","Separation of Sister Chromatids","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Homologous DNA Pairing and Strand Exchan
ge","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Activation of AMPK downstream of NMDARs","Adenosine P1 receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxychol
esterol","CYP2E1 reactions","Regulation of TP53 Expression and Degradation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Cam-PDE 1 activation","Aromatic amines c
an be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"
,"Regulation of TP53 Degradation","Ras activation upon Ca2+ influx through NMDA receptor"}

> <broad_targets>
{CFTR}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{felodipine,72509-76-3,72509763,Plendil,Flodil,Renedil,Feloday,Munobal,Splendil,dl-Felodipine,dlFelodipine,Perfudal,Prevex,Hydac,Modip,Agon,Felodipina,Felodipinum,"Felodipinum (INN-Latin)","Felodipinu
m (INNLatin)","Felodipina (INN-Spanish)","Felodipina (INNSpanish)",C18H19Cl2NO4,86189-69-7,86189697,"Felodipine (Plendil)","H 1",T0145,Prestw-478,Felodipine}

> <pdid>
PD000685

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3333}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 33  0  0  1  0            999 V2000
    6.6910   -7.0166    0.0000 C   0  0
    7.4003   -5.6949    0.0000 N   0  3
    8.8853   -5.4831    0.0000 C   0  0
    9.1427   -4.0053    0.0000 C   0  0
    7.8169   -3.3038    0.0000 C   0  0
    6.7615   -4.3518    0.0000 C   0  0  2  0  0  0
    5.2835   -4.0912    0.0000 C   0  0
    4.7693   -2.6812    0.0000 C   0  0
    3.2913   -2.4206    0.0000 O   0  0
    2.7771   -1.0106    0.0000 C   0  0  2  0  0  0
    3.7409    0.1388    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.8128   -2.1606    0.0000 C   0  0
    2.3262   -3.5699    0.0000 C   0  0
    1.3624   -4.7193    0.0000 C   0  0
   -0.1149   -4.4593    0.0000 C   0  0
   -1.0787   -5.6087    0.0000 Cl  0  0
   -0.6283   -3.0499    0.0000 C   0  0
    0.3355   -1.9006    0.0000 C   0  0
   11.3563   -1.6166    0.0000 O   0  0
   11.3563   -3.1166    0.0000 C   0  0
   10.0570   -3.8662    0.0000 O   0  0
   12.6563   -3.8666    0.0000 C   0  0
   13.9563   -3.1166    0.0000 C   0  0
   15.2563   -3.8666    0.0000 C   0  0
   15.2563   -5.3666    0.0000 O   0  5
   16.5556   -3.1171    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  6  7  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 10 18  1  6
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 18  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
M  CHG  2   2   1  31  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15329

> <plate>
PLATE 001

> <well>
D5

> <supplier_cmpd_name>
Clemastine fumarate

> <ctcr_id>
2907

> <supplier_cmpd_id>
T0147

> <smiles>
C[NH+]1CCC[C@@H]1CCO[C@](C)(c2ccccc2)c3ccc(Cl)cc3.OC(=O)/C=C/C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW30,"CLEMASTINE FUMARATE",14976-57-9,14976579,Tavist,Agasten,"Clemastine hydrogen fumarate","Meclastine fumarate",Tavegil,"Clemastine (fumarate)",UNII-19259EGQ3D,UNII19259EGQ3D,CHEBI:3739,Meclopr
odine,Aloginan,Xolamin,19259EGQ3D,"14976-57-9 (FUMARATE)","14976579 (FUMARATE)",Alphamin,Anhistan,C,S1847,1500191,Prestw-306,"Clemastine Fumarate",CLEMASTINE,"Clemastine fumarate"}

> <pdid>

> <targets>
{Histamine Receptor,Autophagy}

> <classes>
{antihistaminic,Neuronal Signaling,Autophagy,GPCR/G Protein,Immunology/Inflammation}

> <pubchem_cids>
{5281069,6426695}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 36 39  0  0  0  0            999 V2000
    3.8794    3.7535    0.0000 C   0  0
    5.1821    3.0099    0.0000 O   0  0
    5.1903    1.5091    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8994   -3.7478    0.0000 O   0  0
   -5.1981   -2.9955    0.0000 C   0  0
   -6.4993   -3.7433    0.0000 C   0  0
   -7.7980   -2.9910    0.0000 C   0  0
   -9.0993   -3.7387    0.0000 N   0  0
  -10.3984   -2.9888    0.0000 C   0  0
  -11.6975   -3.7388    0.0000 C   0  0
  -11.6975   -5.2388    0.0000 N   0  0
  -12.9965   -5.9887    0.0000 C   0  0
  -10.3985   -5.9888    0.0000 C   0  0
   -9.0994   -5.2388    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 O   0  0
    0.0042   -5.9990    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5988    1.5004    0.0000 C   0  0
    3.8978    2.2504    0.0000 N   0  0
    5.2007   -1.4909    0.0000 C   0  0
    5.2059   -2.9909    0.0000 Cl  0  0
    6.4972   -0.7364    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    7.7884    1.5180    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 18  1  0
 13 25  2  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  2  0
 29  7  1  0
 29 11  1  0
  8 30  1  0
 30 31  3  0
  5 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  2  0
 35  3  1  0
 35 36  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15330

> <plate>
PLATE 001

> <well>
D6

> <supplier_cmpd_name>
Bosutinib

> <ctcr_id>
570

> <supplier_cmpd_id>
T0152

> <smiles>
COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl

> <pd_targets>
{EPHA4,JAK2,MAP3K12,CDK14,SLK,SRC,FYN,ABL1,PAK1,CLK2,FLT3,ALK,MINK1,EGFR,MET,ROCK2,LRRK2,MAP3K19,MAP2K2,RIOK1,KIT,LCK,TAOK3,MYO3A,CIT,STK36,BMP2K,MAP4K4,TNK2,BMX,MAP2K1,BTK,FGR,PTK2B,STK4,ERBB4,STK32A
,RIOK3,WEE1,CDK7,DDR2,DDR1,PAK3,MAP2K3,TIE1,STK3,STK25,MAP3K2,SRPK3,ULK2,AXL,FES,IRAK4,SYK,MAP4K2,TEC,STK24,MERTK,NEK2,ERBB3,PAK2,RPS6KB1,MAP3K13,PKMYT1,CAMK1D,ABL2,LYN,PDGFRA,RIPK2,STK33,DCLK3,GRK7,H
IPK4,NIM1K,STK10,SIK1,YES1,HCK,TXK,NTRK3,TLK2,CHEK2,MAP2K5,DSTYK,PIP5K1A,CHEK1,MAP3K3,MST1R,CLK4,SRMS,STK35,MAP3K1,EIF2AK1,ANKK1,NEK11,HIPK1,WEE2,PLK1,MYO3B,BMPR2,MAP4K3,TNNI3K,EPHA6,MAPK7,TAOK2,PTK2,
LTK,DMPK,EPHA1,EPHA3,PRKCD,TYRO3,TLK1,IKBKE,RET,ERBB2,TEK,CLK3,CASK,PRKAA1,EPHB6,EPHB3,HIPK3,VRK2,STK39,NUAK1,TNIK,STK26,MAP3K4,EPHB2,EPHB4,JAK3,FRK,RPS6KA3,MAP4K5,PKNB,TSSK1B,TBK1,BLK,NTRK1,SIK3,TAOK
1,CAMK2G,CLK1,HIPK2,MAP3K7,CSNK1A1,ULK1,MYLK,NUAK2,GAK,PKN2,PRKD3,EPHA8,EPHA5,PKN1,CSK,EPHA2,EPHB1,CSF1R,PRKCE,ITK,CAMKK2,EIF2AK4,ULK3,MATK,TYK2,FER,NTRK2,AAK1,NLK,MAST1,SIK2,MAP2K7,GRK4,ROCK1,PHKG1,P
LK2,RPS6KA2,RPS6KA6,MAP4K1,PDGFRB,BCR,CSNK1E,MAP3K11,MAP2K6,MAP2K4,MAP3K20,HUNK,CDK16,PHKG2,MAP3K9,CSNK1A1L,ZAP70,CDK15,CAMK2A,IRAK1,PRKCQ,CSNK1D,NPM1,CDK2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","TK protein kinase group","STE protein kinase group","CMGC protein kinase group","TKL protein kinase group","AGC protein kinase group","Atypical 
protein kinase group","Other protein kinase group","CAMK protein kinase group","CK1 protein kinase group","Tyrosine protein kinase Eph family","Tyrosine protein kinase JakA family","CMGC protein kinas
e CDK family","STE protein kinase STE20 family","Tyrosine protein kinase Src family","Tyrosine protein kinase Abl family","CMGC protein kinase CLK family","Tyrosine protein kinase PDGFR family","TKL p
rotein kinase STKR family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Met family","AGC protein kinase DMPK family","TKL protein kinase LRRK family","STE protein kinase STE11 family
","STE protein kinase STE7 family","Atypical protein kinase RIO family","Other protein kinase ULK family","Other protein kinase NAK family","Tyrosine protein kinase Ack family","Tyrosine protein kinas
e Tec family","Tyrosine protein kinase Fak family","AGC protein kinase YANK family","Other protein kinase WEE family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Tie family","CMGC pr
otein kinase SRPK family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Fer family","TKL protein kinase IRAK family","Tyrosine protein kinase Syk family","Other protein kinase NEK fami
ly","AGC protein kinase RSK family","TKL protein kinase MLK family","CAMK protein kinase CAMK1 family","TKL protein kinase RIPK family","CAMK protein kinase unique family","CAMK protein kinase DCAMK1 
family","AGC protein kinase GRK family","CMGC protein kinase DYRK family","Tyrosine protein kinase Trk family","Other protein kinase TLK family","CAMK protein kinase RAD53 family","Other protein kinas
e NKF4 family","Other protein kinase PEK family","Other protein kinase PLK family","CMGC protein kinase MAPK family","Tyrosine protein kinase Alk family","AGC protein kinase PKC family","Tyrosine prot
ein kinase Ret family","CAMK protein kinase TSSK family","Other protein kinase IKK family","CAMK protein kinase CAMK2 family","CK1 protein kinase CK1 family","CAMK protein kinase MLCK family","AGC pro
tein kinase PKN family","CAMK protein kinase PKD family","Tyrosine protein kinase Csk family","Other protein kinase CAMKK family","AGC protein kinase MAST family","CAMK protein kinase PHk family","Aty
pical protein kinase BCR family","CMGC protein kinase PFTAIRE","STE protein kinase SLK subfamily","Tyrosine protein kinase SrcA","STE protein kinase PAKA subfamily","TKL protein kinase STKR Type 1 sub
family","STE protein kinase MSN subfamily","AGC protein kinase ROCK subfamily","Atypical protein kinase RIO1 subfamily","STE protein kinase TAO subfamily","STE protein kinase NinaC subfamily","AGC pro
tein kinase CRIK subfamily","STE protein kinase MST subfamily","Atypical protein kinase RIO3 subfamily","CMGC protein kinase CDK7 subfamily","STE protein kinase YSK subfamily","STE protein kinase MEKK
2","STE protein kinase KHS subfamily","AGC protein kinase p70 subfamily","TKL protein kinase LZK subfamily","AGC protein kinase GRK subfamily","CMGC protein kinase HIPK subfamily","CAMK protein kinase
 NIM1 subfamily","CAMK protein kinase QIK subfamily","CAMK protein kinase CHK1 subfamily","Tyrosine protein kinase Srm","Other protein kinase HRI","Other protein kinase Nek11","Other protein kinase WE
E1","TKL protein kinase STKR Type 2 subfamily","TKL protein kinase HH498 subfamily","CMGC protein kinase ERK5","AGC protein kinase GEK subfamily","AGC protein kinase PKC delta subfamily","CAMK protein
 kinase AMPK subfamily","STE protein kinase FRAY subfamily","CAMK protein kinase NuaK subfamily","AGC protein kinase RSK subfamily","TKL protein kinase TAK1 subfamily","AGC protein kinase PKC eta subf
amily","Other protein kinase Meta subfamily","Other protein kinase GCN2 subfamily","CMGC protein kinase nmo subfamily","Other protein kinase PLK2","TKL protein kinase MLK subfamily","CMGC protein kina
se TAIRE subfamily","CK1 protein kinase CK1-a","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",
"AGC: Containing PKA",PKG,"PKC families",Atypical,"CAMK: Calcium/calmodulin-dependent protein kinases","Lipid modifying kinases","CK1: Casein kinase 1","TK: Tyrosine kinase","TKL: Tyrosine kinase-like
","Cyclin-dependent kinase (CDK) family","STE20 family","CLK family","DMPK family","STE7 family","RIO family","Other protein kinases","YANK family","STE11 family","SRPK family","RSK family","CAMK1 fam
ily","CAMK-unique family","DCAMKL family","G protein-coupled receptor kinases (GRKs)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CAMK-like (CAMKL) family","Type I 
PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","Mitogen-activated protein kinases (MAP kinases)","Protein kinase C (PKC) family","CASK family","Vaccina related kinase (VRK) family",
"Testis specific kinase (TSSK) family","CAMK2 family","Casein kinase 1 (CK1) family","Myosin Light Chain Kinase (MLCK) family","Protein kinase N (PKN) family","Protein kinase D (PKD) family","MAST fam
ily","Phosphorylase kinase (PHK) family","BCR family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Mixed Lineage Kinase (MLK) family","TAIRE subfamily","SLK subfamily","
PAKA subfamily","MSN subfamily","Rho kinase","Leucine-rich repeat kinase (LRRK) family","STE20 subfamily","RIO1 subfamily","TAO subfamily","NinaC subfamily","Other DMPK family kinases","Unc-51-like ki
nase (ULK) family","Numb-associated kinase (NAK) family","MST subfamily","RIO3 subfamily","WEE family","CDK7 subfamily","YSK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","KHS su
bfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","p70 subfamily","Receptor interacting protein kinase (RIPK) family","Opsin/rhodopsin kinases","HIPK subfamily","NIM1 subfamily","
QIK subfamily","Tousled-like kinase (TLK) family","CHK1 subfamily","Other-unique family","NKF4 family","PEK family","Polo-like kinase (PLK) family","Receptor serine/threonine kinase (RSTK) family","ER
K subfamily","GEK subfamily","Delta subfamily","IKK family","AMPK subfamily","FRAY subfamily","NuaK subfamily","RSK subfamily","Eta subfamily","CAMKK family","NAK family","nmo subfamily","GRK4 subfami
ly","HUNK subfamily","CDK1 subfamily","Type XIII RTKs: Ephrin receptor family","Janus kinase (JakA) family","LZK subfamily","Src family","Abl family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor fam
ily","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Ack f
amily","Tec family","Fak family","Type XVI RTKs: DDR (collagen receptor) family","Type XII RTKs: TIE family of angiopoietin receptors","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","F
er family","Syk family","Type VII RTKs: Neurotrophin receptor/Trk family","Other PEK family kinases","Type II receptor serine/threonine kinases","HH498 subfamily","Type XIV RTKs: RET","TAK1 subfamily"
,"Csk family","Meta subfamily","GCN2 subfamily","MLK subfamily"}

> <pathway_reactome>
{"Developmental Biology","Cell Cycle","Signal Transduction",Disease,"Cellular responses to external stimuli","Metabolism of RNA",Metabolism,"Immune System","Neuronal System","Extracellular matrix orga
nization","Programmed Cell Death",Hemostasis,"Circadian Clock","Gene expression (Transcription)","DNA Repair","Muscle contraction",Autophagy,"Vesicle-mediated transport","Nervous system development",M
itotic,"Signaling by Receptor Tyrosine Kinases","Infectious disease","Cellular responses to stress","Signaling by GPCR","Signaling by Non-Receptor Tyrosine Kinases","rRNA processing","Diseases of sign
al transduction by growth factor receptors and second messengers","Signaling by Rho GTPases","Metabolism of lipids","Cytokine Signaling in Immune system","Signaling by Hippo","Transmission across Chem
ical Synapses","Cell Cycle Checkpoints","Non-integrin membrane-ECM interactions","Innate Immune System",Apoptosis,"Cell surface interactions at the vascular wall","Intracellular signaling by second me
ssengers","MTOR signalling","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Signaling by TGFB family members","Cardiac conduction","MAPK family signaling cascades",Macroautophagy,"
Membrane Trafficking","Adaptive Immune System","Signaling by Hedgehog","Signaling by WNT","Metabolism of carbohydrates","Axon guidance","Mitotic G1 phase and G1/S transition","Signaling by NTRKs","HIV
 Infection","Leishmania infection","Signaling by Insulin receptor","Cellular Senescence","GPCR downstream signalling","Signaling by PTK6","rRNA processing in the nucleus and cytosol","Signaling by KIT
 in disease","RHO GTPase Effectors","Phospholipid metabolism","Signaling by Interleukins","Neurotransmitter receptors and postsynaptic signal transmission","G2/M Checkpoints","Toll-like Receptor Casca
des","Signaling by VEGF","Apoptotic execution phase","Regulation of mitotic cell cycle","PIP3 activates AKT signaling","mTORC1-mediated signalling","Mitotic G2-G2/M phases","Signaling by PDGFR in dise
ase","Neutrophil degranulation","Fc epsilon receptor (FCERI) signaling","Generic Transcription Pathway","Homology Directed Repair","Signaling by MST1","Response of EIF2AK1 (HRI) to heme deficiency","S
ignaling by BMP","Ion homeostasis","DAG and IP3 signaling","MAPK1/MAPK3 signaling","M Phase","Signaling by WNT in cancer","Selective autophagy","trans-Golgi Network Vesicle Budding","Sphingolipid meta
bolism","Oncogenic MAPK signaling","Fcgamma receptor (FCGR) dependent phagocytosis","TCR signaling","Response of EIF2AK4 (GCN2) to amino acid deficiency","Hedgehog 'on' state","Signaling by ERBB2","In
terferon Signaling","Signaling by SCF-KIT","Clathrin-mediated endocytosis","Beta-catenin independent WNT signaling","Glycogen metabolism","Signaling by FGFR in disease","EPH-Ephrin signaling","G1 Phas
e","Signaling by NTRK1 (TRKA)","Host Interactions of HIV factors","Parasite infection","Insulin receptor signalling cascade","Oxidative Stress Induced Senescence","G alpha (q) signalling events","Sema
phorin interactions","PTK6 promotes HIF1A stabilization","Major pathway of rRNA processing in the nucleolus and cytosol","Drug resistance of KIT mutants","RHO GTPases activate CIT","PI Metabolism","Le
ishmania parasite growth and survival","Interleukin-2 family signaling","Activation of NMDA receptors and postsynaptic events","G2/M DNA damage checkpoint","HIV Life Cycle","Toll Like Receptor 5 (TLR5
) Cascade","VEGFA-VEGFR2 Pathway","Toll Like Receptor 2 (TLR2) Cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Apoptotic cleavage of cellular proteins","APC/C-mediated degradation of cell
 cycle proteins","Negative regulation of the PI3K/AKT network","G2/M Transition","Signaling by ROBO receptors","Drug resistance of PDGFR mutants","G alpha (i) signalling events","FCERI mediated Ca+2 m
obilization","Signaling by NTRK3 (TRKC)","Transcriptional Regulation by TP53","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Interleukin-1 family signaling","PTK6 Down-
Regulation","CaM pathway","Toll Like Receptor 4 (TLR4) Cascade","RET signaling","RAF/MAP kinase cascade","Mitotic Metaphase and Anaphase","PTEN Regulation","Transcriptional regulation by RUNX1","Signa
ling by AMER1 mutants",Mitophagy,"RHO GTPases activate PAKs","Golgi Associated Vesicle Biogenesis","RHO GTPases activate PKNs","Sphingolipid de novo biosynthesis","Signaling by RAS mutants","Transcrip
tional Regulation by VENTX","Role of phospholipids in phagocytosis","Generation of second messenger molecules","Downregulation of ERBB2 signaling","Interferon alpha/beta signaling","Cargo recognition 
for clathrin-mediated endocytosis","Ca2+ pathway","Glycogen breakdown (glycogenolysis)","Signaling by FGFR1 in disease","EPHA-mediated growth cone collapse","Cyclin D associated events in G1","Signall
ing to ERKs","The role of Nef in HIV-1 replication and disease pathogenesis","Leishmania phagocytosis","EPHB-mediated forward signaling","IRS-mediated signalling","Gastrin-CREB signalling pathway via 
PKC and MAPK","Sema4D in semaphorin signaling","Dasatinib-resistant KIT mutants","Synthesis of PIPs at the plasma membrane","Anti-inflammatory response favouring Leishmania parasite infection","Interl
eukin-2 signaling","Post NMDA receptor activation events","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","Late Phase of HIV Life Cycle","Ephrin signaling","MyD88 cascade initiated on
 plasma membrane","CRMPs in Sema3A signaling","Toll Like Receptor TLR6:TLR2 Cascade","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins",PI5P,"PP2A and IER3 Regulate PI3K/AK
T Signaling","Cyclin A/B1/B2 associated events during G2/M transition","Role of ABL in ROBO-SLIT signaling","Imatinib-resistant PDGFR mutants","Visual phototransduction","Activated NTRK3 signals throu
gh PI3K","Regulation of TP53 Activity","Signalling to ERK5","HDR through Homologous Recombination (HRR)","Interleukin-1 signaling","Centrosome maturation","Calmodulin induced events","MyD88-independen
t TLR4 cascade","Assembly and cell surface presentation of NMDA receptors","Mitotic Anaphase","Interleukin-15 signaling","Regulation of PTEN stability and activity","RUNX1 regulates transcription of g
enes involved in BCR signaling","Truncations of AMER1 destabilize the destruction complex","Receptor Mediated Mitophagy","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated ge
nes KLK2 and KLK3","Signaling downstream of RAS mutants","Regulation of IFNA signaling","Activation of TRKA receptors","FGFR1 mutant receptor activation","Signalling to RAS","Nef and signal transducti
on","FCGR3A-mediated phagocytosis","PI3K Cascade","EGFR Transactivation by Gastrin","Sema4D mediated inhibition of cell attachment and migration","Sema4D induced cell migration and growth-cone collaps
e","Prolonged ERK activation events","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated IL10 synthesis","Long-term potentiation","Transcr
iption of the HIV genome","MAP kinase activation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","APC/C:Cdc20 mediated degradation of mitotic proteins","The phototransduction cascade","Regula
tion of TP53 Expression and Degradation","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Activity through Phosphorylation","Loss of proteins required for interphase microtubule organi
zation from the centrosome","TRIF(TICAM1)-mediated TLR4 signaling","Nuclear Envelope (NE) Reassembly","Separation of Sister Chromatids","CREB1 phosphorylation through NMDA receptor-mediated activation
 of RAS signaling","Activation of AMPK downstream of NMDARs","NGF-independant TRKA activation","CD163 mediating an anti-inflammatory response","Regulation of TP53 Activity through Acetylation","Signal
ing by cytosolic FGFR1 fusion mutants","p38MAPK events","Frs2-mediated activation","Nef Mediated CD4 Down-regulation","HIV Transcription Elongation","activated TAK1 mediates p38 MAPK activation","APC:
Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint",Inactivation,"recovery and regulation of the phototransduction cascade","Regulation of TP53 Degrada
tion","Presynaptic phase of homologous DNA pairing and strand exchange","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of IRF3/IRF7 mediated 
by TBK1/IKK epsilon","Initiation of Nuclear Envelope (NE) Reformation","ARMS-mediated activation","Ras activation upon Ca2+ influx through NMDA receptor","TRAF6-mediated induction of TAK1 complex with
in TLR4 complex","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","RSK activation","PI5P Regulates TP53 Acetylation","Tat-mediated elongation of the HIV-1 transcr
ipt","APC-Cdc20 mediated degradation of Nek2A","ERK/MAPK targets","CREB phosphorylation","Formation of HIV-1 elongation complex containing HIV-1 Tat","ERKs are inactivated"}

> <broad_targets>
{ABL1,BCR,CAMK1D,CAMK2G,CDK2,FRK,FYN,HCK,LYN,MAP2K1,MAP2K2,MAP3K2,MAP4K5,SRC,STK10,STK24,STK4,TNK2,TXK}

> <broad_moa>
{"Abl kinase inhibitor","Bcr-Abl kinase inhibitor","SRC inhibitor"}

> <synonyms>
{FT-0656231,FT0656231,S1014,Bosutinib,380843-75-4,380843754,SKI-606,SKI606,"Bosutinib (SKI-606)","Bosutinib (SKI606)","SKI 606",BOSULIF,UNII-5018V4AEZ0,UNII5018V4AEZ0,"BOSUTINIB ISOMER 1",CHEMBL288441
,CHEBI:39112,5018V4AEZ0,SKI-606),SKI606),MFCD07367846,SK-606,SK606,"Bosutinib (USAN)","Bosutinib (USAN:INN)",NCGC002,T0152,B1709,SY-Bosutinib,bosutinib,BOSUTINIB}

> <pdid>
PD004099

> <targets>
{Multi Kinase Inhibitors (Abl,Src),ABL,SRC,Autophagy,Bcr-Abl,Src}

> <classes>
{Bcr-Abl inhibitor,Autophagy,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{5328940}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    8.6400   -1.0822    0.0000 H   0  3
    6.1400   -1.0822    0.0000 Cl  0  5
   -2.9790   -5.5336    0.0000 C   0  0
   -2.9537   -4.0338    0.0000 N   0  0
   -1.6420   -3.3046    0.0000 C   0  0
   -1.6167   -1.8039    0.0000 C   0  0
   -0.3049   -1.0747    0.0000 C   0  0
   -0.2800    0.4200    0.0000 C   0  0
    0.0000    2.2500    0.0000 C   0  0
   -0.4900    3.3700    0.0000 C   0  0
   -0.5500    1.7600    0.0000 C   0  0
   -2.0000    1.1200    0.0000 C   0  0
   -3.4200    1.7700    0.0000 C   0  0
   -4.6300    0.8200    0.0000 C   0  0
   -4.4000   -0.6700    0.0000 C   0  0
   -2.9800   -1.2400    0.0000 C   0  0
   -1.7900   -0.2300    0.0000 C   0  0
    0.7800    1.1200    0.0000 C   0  0
    1.8800    2.2400    0.0000 C   0  0
    3.3200    1.7500    0.0000 C   0  0
    3.6400    0.2500    0.0000 C   0  0
    2.5000   -0.7300    0.0000 C   0  0
    1.0400   -0.2000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17  8  1  0
 17 12  1  0
 11 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23  8  1  0
 23 18  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15331

> <plate>
PLATE 001

> <well>
D7

> <supplier_cmpd_name>
Maprotiline hydrochloride

> <ctcr_id>
3721

> <supplier_cmpd_id>
T0172

> <smiles>
[H+].[Cl-].CNCCCC12CCC(c3ccccc13)c4ccccc24

> <pd_targets>
{CYP2D6,RORC,PMP22,AMPC,KMT2A,MEN1,CYP3A4,LMNA,GAA,CYP2C19,SMN1,FFP,TP53,HTT,MAPK1,SLC6A2,HTR2C,SLC6A3,KDM4E,TSHR,LEF,ADRA1A,HTR2A,SLC6A4,CHRM1,THPO,CYP1A2,ADRA1B,TRPM3,IMPA1,HRH1,KCNJ6,GRIN1,GRIN2A,G
RIN2B,GRIN2C,GRIN2D,GRIN3A,GRIN3B,ADRA2C,HTR2B,DRD3,MTOR,ADRA2B,CHRM4,CHRM5,HTR6,CACNA1C,DRD2,CHRM2,ADRA1D,DRD5,ADRA2A,HRH2,CHRM3,KCNJ5,HTR7,MBTD1,L3MBTL3,L3MBTL1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein","Epigenetic regulator","Other nuclear protein",Transporter,"Membrane receptor","Ion channel","Cytochrome P450","Nuclear receptor",Hydrolase,Reader
,Transferase,Kinase,"Electrochemical transporter","Family A G protein-coupled receptor",Eraser,Protease,"Voltage-gated ion channel","Ligand-gated ion channel","Cytochrome P450 family 2","Nuclear hormo
ne receptor subfamily 1",Bromodomain,"Cytochrome P450 family 3","Methyl-lysine/arginine binding protein","Protein Kinase","SLC superfamily of solute carriers","Small molecule receptor (family A GPCR)"
,"Lysine demethylase","Peptide receptor (family A GPCR)","Metallo protease","Cytochrome P450 family 1","Potassium channels","Ionotropic glutamate receptor","Voltage-gated calcium channel","Cytochrome 
P450 family 2D","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Tudor domain","CMGC protein kinase group","SLC06 neurotransmitter transporter fa
mily","Monoamine receptor","Jumonji domain-containing","Glycohormone receptor","Metallo protease MAE clan","Cytochrome P450 family 1A","Inwardly rectifying potassium channel","NMDA receptor","Atypical
 protein kinase group","MBT domain","Cytochrome P450 2D6","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cytochrome P450 2C19","CMGC protein kinase MAPK family","Seroto
nin receptor","Metallo protease M34 family","Adrenergic receptor","Acetylcholine receptor","Cytochrome P450 1A1","Histamine receptor","Dopamine receptor","Atypical protein kinase PIKK family","CMGC pr
otein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Other protein targets","Cytochrome P450","Nuclear hormone receptors","3.2.1.- Glycosidases","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers",
"G protein-coupled receptors","Chromatin modifying enzymes","Voltage-gated ion channels","Inositol phosphate turnover","Chromatin-interacting transcriptional repressors","CYP2 family: drug metabolisin
g subset","1F. Retinoic acid-related orphans","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLC6 neurotransmitter transporter family","5-Hydroxytryptamine receptors","1.14.11.- Histon
e demethylases","Glycoprotein hormone receptors",Adrenoceptors,"Acetylcholine receptors (muscarinic)","CYP1 family","Transient Receptor Potential channels","Inositol monophosphatase","Histamine recept
ors","Potassium channels","Dopamine receptors",Atypical,"Voltage-gated calcium channels","Methyllysine reader proteins","Mitogen-activated protein kinases (MAP kinases)","Monoamine transporter subfami
ly","Inwardly rectifying potassium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Developmental Biology","Cell Cycle",Disease,"Metabolism of RNA","Immune System","Signal Transduction","Neuronal System",Hemostasis,"Transport of small mo
lecules","Biological oxidations","RNA Polymerase II Transcription","Nervous system development","Metabolism of lipids",Mitotic,"Diseases of metabolism","Metabolism of non-coding RNA","Cell Cycle Check
points","Innate Immune System","Disorders of transmembrane transporters","Signaling by GPCR","Infectious disease","Transmission across Chemical Synapses","Platelet activation","signaling and aggregati
on","Ion channel transport","Inositol phosphate metabolism","Phase I - Functionalization of compounds","Generic Transcription Pathway","EGR2 and SOX10-mediated initiation of Schwann cell myelination",
"Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Diseases of carbohydrate metabolism","snRNP Assembly","G1/S DNA Damage Checkpoints","Toll-like Receptor Cascades","SLC transporte
r disorders","GPCR ligand binding","Leishmania infection","Uptake and actions of bacterial toxins","Neurotransmitter clearance","Platelet Aggregation (Plug Formation)","Stimuli-sensing channels","Synt
hesis of IP2",IP,"and Ins in the cytosol","Neurotransmitter receptors and postsynaptic signal transmission","Axon guidance","Cytochrome P450 - arranged by substrate type","Transcriptional regulation b
y RUNX3","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Glycogen storage diseases","p53-Dependent G1/S DNA damage checkpoint","Transcriptional Regulation by MECP2","Toll Like Rec
eptor 5 (TLR5) Cascade","Defective SLC6A2 causes orthostatic intolerance (OI)","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Leishmania para
site growth and survival","Uptake and function of anthrax toxins","Serotonin clearance from the synaptic cleft","TRP channels","GABA receptor activation","Transcriptional Regulation by TP53","NCAM sig
naling for neurite out-growth",Xenobiotics,"RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Mitotic Anaphase","Glycogen storage disease type II (GAA)","p53-Dependent G1
 DNA Damage Response","Regulation of MECP2 expression and activity","MyD88 cascade initiated on plasma membrane","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania paras
ite infection","GABA B receptor activation","Regulation of TP53 Activity","NCAM1 interactions","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Stabilization 
of p53","MAP kinase activation","Serotonin receptors","ADORA2B mediated anti-inflammatory cytokines production",Adrenoceptors,"Muscarinic acetylcholine receptors","Aromatic amines can be N-hydroxylate
d or N-dealkylated by CYP1A2","Histamine receptors","Activation of GABAB receptors","Dopamine receptors","Regulation of TP53 Expression and Degradation","Regulation of TP53 Activity through Methylatio
n","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Inhibition  of voltage gated Ca2+ channel
s via Gbeta/gamma subunits","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{SLC6A2}

> <broad_moa>
{"norepinephrine reputake inhibitor","tricyclic antidepressant"}

> <synonyms>
{"Maprotiline hydrochloride",10347-81-6,10347816,"Maprotiline Hcl",Ludiomil,Psymion,"Maprotilline HCl",UNII-7C8J54PVFI,UNII7C8J54PVFI,"Maprotiline (hydrochloride)","Maprotiline Hydrochlorine",7C8J54PV
FI,MLS000069552,MLS000557000,Deprilept,N-Methyl-9,NMethyl9,10-ethanoanthrac,10ethanoanthrac,S2517,SAM001246989,1500373,"Maprotiline HCl",CPD000148117,"MAPROTILINE HYDROCHLORIDE"}

> <pdid>
PD009633

> <targets>
{"Reuptake inhibitor"}

> <classes>
{antidepressant,"Neuronal Signaling"}

> <pubchem_cids>
{71478,657219}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 58 63  0  0  1  0            999 V2000
    2.2495    2.6548    0.0000 C   0  0
    3.6576    2.1380    0.0000 C   0  0
    4.8089    3.0995    0.0000 O   0  0
    3.9139    0.6592    0.0000 O   0  0
    2.7600   -0.3100    0.0000 C   0  0  1  0  0  0
    3.4900    0.9500    0.0000 C   0  0
    4.7600    0.2300    0.0000 O   0  0
    4.0400   -1.0400    0.0000 C   0  0  2  0  0  0
    4.0400   -2.4900    0.0000 C   0  0
    2.7600   -3.2200    0.0000 C   0  0  2  0  0  0
    2.7575   -4.7200    0.0000 O   0  0
    1.4900   -2.4900    0.0000 C   0  0  2  0  0  0
    1.4875   -3.9900    0.0000 C   0  0
    1.4900   -1.0400    0.0000 C   0  0  2  0  0  0
    0.2100   -0.3100    0.0000 C   0  0  2  0  0  0
    0.2081    1.1912    0.0000 O   0  0
    1.5064    1.9441    0.0000 C   0  0
    2.8067    1.1962    0.0000 O   0  0
    1.5045    3.4449    0.0000 C   0  0
    2.8011    4.1993    0.0000 C   0  0
    2.7961    5.6993    0.0000 C   0  0
    1.4946    6.4450    0.0000 C   0  0
    0.1980    5.6907    0.0000 C   0  0
    0.2030    4.1907    0.0000 C   0  0
   -1.0600   -1.0400    0.0000 C   0  0  1  0  0  0
   -1.0600    0.4600    0.0000 O   0  0
   -2.3300   -0.3100    0.0000 C   0  0
   -3.6100   -1.0400    0.0000 C   0  0  2  0  0  0
   -4.9097   -0.2889    0.0000 O   0  0
   -6.2103   -1.0379    0.0000 C   0  0
   -6.2111   -2.0379    0.0000 O   0  0
   -7.5097   -0.2869    0.0000 C   0  0  2  0  0  0
   -7.5086    1.2131    0.0000 O   0  0
   -8.8103   -1.0359    0.0000 C   0  0  1  0  0  0
   -8.8084   -2.5367    0.0000 N   0  0
   -7.5082   -3.2863    0.0000 C   0  0
   -6.6426   -2.7855    0.0000 O   0  0
   -7.5062   -4.7871    0.0000 O   0  0
   -6.2060   -5.5367    0.0000 C   0  0
   -6.2047   -6.5367    0.0000 C   0  0
   -4.9077   -4.7855    0.0000 C   0  0
   -4.9061   -6.2852    0.0000 C   0  0
  -10.1097   -0.2849    0.0000 C   0  0
  -11.4107   -1.0316    0.0000 C   0  0
  -12.7078   -0.2783    0.0000 C   0  0
  -12.7041    1.2217    0.0000 C   0  0
  -11.4032    1.9684    0.0000 C   0  0
  -10.1060    1.2152    0.0000 C   0  0
   -3.6100   -2.4900    0.0000 C   0  0
   -2.3300   -3.2200    0.0000 C   0  0
   -1.0600   -2.4900    0.0000 C   0  0  1  0  0  0
   -1.0600   -1.4900    0.0000 O   0  0
    0.2100   -3.2200    0.0000 C   0  0
    0.2075   -4.7200    0.0000 O   0  0
   -2.0200    0.2800    0.0000 C   0  0
   -0.9882    1.3687    0.0000 C   0  0
   -3.4648    0.6831    0.0000 C   0  0
   -4.9070   -3.2434    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8  5  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  6
 14 12  1  6
 14  5  1  0
 14 15  1  0
 15 16  1  1
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 15 25  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  0
 28 29  1  1
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  1
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 39 42  1  0
 34 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 43  1  0
 28 49  1  0
 49 50  2  3
 50 51  1  0
 51 52  1  1
 51 53  1  0
 53 12  1  0
 53 54  2  0
 50 55  1  0
 55 25  1  0
 55 56  1  0
 55 57  1  0
 49 58  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15332

> <plate>
PLATE 001

> <well>
D8

> <supplier_cmpd_name>
Docetaxel trihydrate

> <ctcr_id>
4639

> <supplier_cmpd_id>
T0186

> <smiles>
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C

> <pd_targets>
{MAPK1,FFP,FTL,KMT2A,MEN1,RORC,KIF11,EGFR,GHRHR,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,NOD2,ABCB11,CYP3A4,TACR2,TUBB5,NR1I2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Epigenetic regulator","Transcription factor","Other cytosolic protein","Membrane receptor","Structural protein",Transporter,Kinase,Transferase,Reader,"Nuclear receptor"
,"Family B G protein-coupled receptor","Primary active transporter","Cytochrome P450","Family A G protein-coupled receptor","Protein Kinase",Bromodomain,"Nuclear hormone receptor subfamily 1","Peptide
 receptor (family B GPCR)","ATP-binding cassette","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","TK protein k
inase group","Glucagon-like receptor","ABCB subfamily","Cytochrome P450 family 3A","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group I","CMGC protein kinase MAPK fam
ily","Nuclear hormone receptor subfamily 1 group F member 3","Tyrosine protein kinase EGFR family","Growth hormone-releasing hormone receptor","Cytochrome P450 3A4","Neurokinin receptor","Nuclear horm
one receptor subfamily 1 group I member 2","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors",Kinesins,"Catalytic receptors","G protein-coupled receptors","ATP-binding cassette transporte
r family","Cytochrome P450",Tubulins,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphans","Receptor kinases","Glucagon receptor family","Pattern recognition receptors","
ABCB subfamily","CYP3 family","Tachykinin receptors","1I. Vitamin D receptor-like receptors","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","NOD-like receptor family","ERK sub
family","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Immune System","Vesicle-mediated transport","Gene expression (Transcription)","Signal Transduction",Disease,Metabolism,"Cell Cycle","Metabolism of proteins","Innate Immune System","Membrane Traffick
ing","RNA Polymerase II Transcription","Signaling by GPCR","Infectious disease","Metabolism of lipids",Mitotic,"Post-translational protein modification","Toll-like Receptor Cascades","trans-Golgi Netw
ork Vesicle Budding","Generic Transcription Pathway","Intra-Golgi and retrograde Golgi-to-ER traffic","GPCR downstream signalling","Leishmania infection","Metabolism of steroids","Biosynthesis of spec
ialized proresolving mediators (SPMs)","GPCR ligand binding","Mitotic G2-G2/M phases",SUMOylation,"Toll Like Receptor 5 (TLR5) Cascade","Golgi Associated Vesicle Biogenesis","Transcriptional regulatio
n by RUNX3","Golgi-to-ER retrograde transport","G alpha (q) signalling events","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","Biosynthesis of DHA-derived SPMs","Class 
A/1 (Rhodopsin-like receptors)","G2/M Transition","SUMO E3 ligases SUMOylate target proteins","MyD88 cascade initiated on plasma membrane","RUNX3 Regulates Immune Response and Cell Migration","COPI-de
pendent Golgi-to-ER retrograde traffic","Gastrin-CREB signalling pathway via PKC and MAPK","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of bile acids and bile salts"
,"Biosynthesis of maresins","Peptide ligand-binding receptors","Centrosome maturation","SUMOylation of intracellular receptors","MAP kinase activation","EGFR Transactivation by Gastrin","ADORA2B media
ted anti-inflammatory cytokines production","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Biosynthesis of maresin-like SPMs","Tachykinin receptors bind tachykinins","Loss of 
proteins required for interphase microtubule organization from the centrosome","MAPK targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","Loss of Nlp from mi
totic centrosomes","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{BCL2,MAP2,MAP4,MAPT,NR1I2,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3D,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{RESTW118,"Docetaxel (Taxotere)",SMR000059010,Docetaxel/,MLS000069455,MLS000759480,MLS001423968,SCHEMBL5553029,CHEMBL1510899,MolPort-006-823-826,MolPort006823826,HMS2051A12,HMS3715N15,"Docetaxel(Taxot
ere)/UK 427857",ABP000473,ABP000761,BBL102375,STL556176,ZINC95546207,A,T0186,T1034,SAM001246689,Prestw-1180,"Docetaxel trihydrate",Docetaxel,CPD000059010}

> <pdid>
PD003020

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{11970251}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 35 39  0  0  0  0            999 V2000
   -4.3141   -9.2735    0.0000 C   0  0
   -3.3079   -8.1610    0.0000 C   0  0
   -2.3012   -7.0479    0.0000 C   0  0
   -1.2945   -5.9348    0.0000 C   0  0
    0.1705   -6.2486    0.0000 N   0  0
    0.7759   -7.6210    0.0000 C   0  0
    2.2682   -7.4694    0.0000 N   0  0
    2.5847   -6.0040    0.0000 C   0  0
    3.8864   -5.2585    0.0000 N   0  0
    5.1828   -6.0130    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    5.1932   -3.0130    0.0000 O   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.2935   -3.7495    0.0000 C   0  0
   -0.0030   -2.9951    0.0000 O   0  0
    1.2883   -5.2495    0.0000 C   0  0
    0.0210   -8.9181    0.0000 N   0  0
   -1.4702   -9.0246    0.0000 C   0  0
   -2.1250  -10.3741    0.0000 C   0  0
   -1.2837  -11.6159    0.0000 C   0  0
    0.2125  -11.5082    0.0000 C   0  0
    1.0538  -12.7501    0.0000 N   0  0
    0.8673  -10.1587    0.0000 C   0  0
  1  2  1  0
  2  3  3  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 19  1  0
 24 25  2  0
 25 15  1  0
 13 26  1  0
 26 27  2  0
 26 28  1  0
 28  5  1  0
 28  8  2  0
  6 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 29  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15333

> <plate>
PLATE 001

> <well>
D9

> <supplier_cmpd_name>
Linagliptin

> <ctcr_id>
2030

> <supplier_cmpd_id>
T0191

> <smiles>
CC#CCn1c(nc2N(C)C(=O)N(Cc3nc(C)c4ccccc4n3)C(=O)c12)N5CCCC(N)C5

> <pd_targets>
{DPP4,FAP,CHRM1,DPP9,"DPP IV",LYPLA1,POU2F1,POU2F2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein","Transcription factor",Protease,"Family A G protein-coupled receptor",Hydrolase,"Serine protease","Small molecule receptor (family A GPCR)","Serine p
rotease SC clan","Monoamine receptor","Serine protease S9B subfamily","Serine protease S9A subfamily","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Peptidases and proteinases","G protein-coupled receptors","SC: Serine (S) Peptidases","Acetylcholine receptors (muscarinic)","S9: Prolyl oligopeptidase"}

> <pathway_reactome>
{"Metabolism of proteins","Signal Transduction","Gene expression (Transcription)","Peptide hormone metabolism","Signaling by GPCR","MAPK family signaling cascades","RNA Polymerase III Transcription","
RNA Polymerase II Transcription","Incretin synthesis",secretion,"and inactivation","GPCR ligand binding","MAPK1/MAPK3 signaling","RNA Polymerase III Transcription Initiation","RNA polymerase II transc
ribes snRNA genes",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","Class A/1 (Rhodopsin-like receptors)","RAF/MAP kinase cascade","RNA Polymerase III Transcription Initiation From Typ
e 3 Promoter","Amine ligand-binding receptors","RAS processing","Muscarinic acetylcholine receptors"}

> <broad_targets>
{DPP4}

> <broad_moa>
{"dipeptidyl peptidase inhibitor"}

> <synonyms>
{SCHEMBL195962,SCHEMBL17124941,HMS3656N16,HMS3750G07,"Linagliptin Impurity 10 (S-Isomer)","Linagliptin Impurity 10 (SIsomer)",STL452911,AKOS026677573,NCGC00389240-01,NCGC0038924001,AK134946,FT-0670793
,FT0670793,F0001-2392,F00012392,1383917-84-7,1383917847,T0191,S3031,Linagliptin}

> <pdid>
PD009181

> <targets>
{DPP-4}

> <classes>
{Proteases}

> <pubchem_cids>
{57389748}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 36 37  0  0  0  0            999 V2000
   12.7943   -3.0140    0.0000 H   0  3
   10.2943   -3.0140    0.0000 Cl  0  5
    6.4876   -5.2643    0.0000 C   0  0
    6.4912   -3.7643    0.0000 N   0  0
    7.7922   -3.0178    0.0000 C   0  0
    5.1937   -3.0100    0.0000 C   0  0
    4.3263   -3.5077    0.0000 O   0  0
    5.1972   -1.5092    0.0000 C   0  0
    3.8990   -0.7562    0.0000 C   0  0
    3.9012    0.7447    0.0000 C   0  0
    2.6029    1.4977    0.0000 N   0  0
    1.3008    0.7531    0.0000 C   0  0
    0.0049    1.5084    0.0000 C   0  0
    0.0110    3.0084    0.0000 C   0  0
   -1.2731    2.2332    0.0000 O   0  0
    1.3132    3.7531    0.0000 C   0  0
    2.6091    2.9977    0.0000 C   0  0
    0.0519    4.4885    0.0000 C   0  0
    1.3711    5.2023    0.0000 C   0  0
    1.4125    6.7018    0.0000 C   0  0
    0.1347    7.4873    0.0000 C   0  0
    0.1761    8.9868    0.0000 Cl  0  0
   -1.1846    6.7735    0.0000 C   0  0
   -1.2259    5.2740    0.0000 C   0  0
    6.4990   -0.7623    0.0000 C   0  0
    7.7960   -1.5158    0.0000 C   0  0
    9.0971   -0.7693    0.0000 C   0  0
    9.1011    0.7307    0.0000 C   0  0
    7.8041    1.4842    0.0000 C   0  0
    6.5030    0.7377    0.0000 C   0  0
    3.8959   -2.2567    0.0000 C   0  0
    3.8926   -3.7567    0.0000 C   0  0
    2.5919   -4.5039    0.0000 C   0  0
    1.2945   -3.7510    0.0000 C   0  0
    1.2978   -2.2510    0.0000 C   0  0
    2.5985   -1.5039    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 11  1  0
 14 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 18  1  0
  8 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
  8 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15334

> <plate>
PLATE 001

> <well>
D10

> <supplier_cmpd_name>
Loperamide hydrochloride

> <ctcr_id>
1861

> <supplier_cmpd_id>
T0209

> <smiles>
[H+].[Cl-].CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4

> <pd_targets>
{TSHR,THPO,ADRA1B,ABCB11,CES2,KMT2A,MEN1,HTT,ALOX15,CYP2D6,ALOX12,CHRM1,ADRA1A,OPRD1,CALM,CYP3A4,OPRM1,SLC22A1,TEK,LMNA,REP,OPRK1,CYP1A2,CACNA1C,SCN1A,SCN2A,SCN3A,RORC,TP53,FTL,PMP22,BLM,NPSR1,NFO,GMN
N,ADRB2,DRD3,MTOR,SIGMAR1,SCN5A,HTR2B,KCNH2,SLC6A4,HRH2,ABCB1,POMC,CALM1}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein",Transporter,Enzyme,"Epigenetic regulator","Other nuclear protein","Ion channel","Transcription factor","Family A G protein-coupled receptor","Primary active
 transporter",Hydrolase,Reader,Oxidoreductase,"Cytochrome P450","Electrochemical transporter",Kinase,Transferase,"Voltage-gated ion channel","Nuclear receptor","Peptide receptor (family A GPCR)","Smal
l molecule receptor (family A GPCR)","ATP-binding cassette",Bromodomain,"Cytochrome P450 family 2","Cytochrome P450 family 3","SLC superfamily of solute carriers","Protein Kinase","Cytochrome P450 fam
ily 1","Voltage-gated calcium channel","Voltage-gated sodium channel","Nuclear hormone receptor subfamily 1","Potassium channels","Glycohormone receptor","Monoamine receptor","ABCB subfamily","Cytochr
ome P450 family 2D","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","SLC22 family of organic cation and anion transporters","TK protein kinase group","Cytochrome P450 family 1A","
Nuclear hormone receptor subfamily 1 group F","Atypical protein kinase group","Voltage-gated potassium channel","SLC06 neurotransmitter transporter family","Adrenergic receptor","Cytochrome P450 2D6",
"Acetylcholine receptor","Opioid receptor","Cytochrome P450 3A4","Tyrosine protein kinase Tie family","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 1 group F member 3","Neuropeptide recept
or","Dopamine receptor","Atypical protein kinase PIKK family","Serotonin receptor","Histamine receptor","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Other protein targets","Ion channels","G protein-coupled receptors","ATP-binding cassette transporter family","Eicosanoid turnover","Cytochrome P450","SLC superfamily 
of solute carriers","Catalytic receptors","Anti-infective targets","Voltage-gated ion channels","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Sigma receptors","Glycoprotein hormone receptors",Ad
renoceptors,"ABCB subfamily",Lipoxygenases,"CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)","Opioid receptors","CYP3 family","SLC22 family of organic cation and anion tra
nsporters","Receptor kinases","Viral protein targets","CYP1 family","Voltage-gated calcium channels","1F. Retinoic acid-related orphans","Neuropeptide S receptor","Dopamine receptors",Atypical,"Voltag
e-gated sodium channels","5-Hydroxytryptamine receptors","Potassium channels","SLC6 neurotransmitter transporter family","Histamine receptors","Organic cation transporters (OCT)","TK: Tyrosine kinase"
,"Coronavirus (CoV) proteins","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Voltage-gated potassium channels","Monoamine transporter subfamily","Receptor tyrosine kinases (RTKs)","F
RAP subfamily","Type XII RTKs: TIE family of angiopoietin receptors"}

> <pathway_reactome>
{Disease,Hemostasis,"Signal Transduction",Metabolism,"Gene expression (Transcription)","Transport of small molecules","Cell Cycle","Developmental Biology","Vesicle-mediated transport","DNA Repair","Mu
scle contraction","Neuronal System","Infectious disease","Platelet activation","signaling and aggregation","Signaling by GPCR","Metabolism of lipids","Biological oxidations","RNA Polymerase II Transcr
iption","SLC-mediated transmembrane transport","MAPK family signaling cascades",Mitotic,"Nervous system development","Cell Cycle Checkpoints","Membrane Trafficking","DNA Double-Strand Break Repair","C
ardiac conduction","Transmission across Chemical Synapses","Abacavir transport and metabolism","Leishmania infection","Platelet Aggregation (Plug Formation)","GPCR ligand binding","Metabolism of stero
ids","Phase I - Functionalization of compounds","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR downstream signalling","Transport of bile salts and or
ganic acids","metal ions and amine compounds","MAPK1/MAPK3 signaling","M Phase","SARS-CoV Infections","Axon guidance","G1/S DNA Damage Checkpoints","trans-Golgi Network Vesicle Budding","EGR2 and SOX1
0-mediated initiation of Schwann cell myelination","Homology Directed Repair","Mitotic G1 phase and G1/S transition","Phase 3 - rapid repolarisation","Neurotransmitter clearance","Abacavir transmembra
ne transport","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","T
ranscriptional Regulation by MECP2","Biosynthesis of DPA-derived SPMs","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","G alpha (i) signalling events","Organic cation
/anion/zwitterion transport","RAF/MAP kinase cascade","Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer","Mitotic Metaphase and Anaphase","SARS-CoV-2 Infection","NCAM signaling for neurite o
ut-growth","SARS-CoV-1 Infection","Transcriptional regulation by RUNX3","p53-Dependent G1/S DNA damage checkpoint","Golgi Associated Vesicle Biogenesis","HDR through Homologous Recombination (HRR) or 
Single Strand Annealing (SSA)","G1/S Transition","Transcriptional Regulation by TP53","Potential therapeutics for SARS","L1CAM interactions","Serotonin clearance from the synaptic cleft","Activation o
f NMDA receptors and postsynaptic events","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors","Synthesis of bile acids and bile salts","Regulation of 
MECP2 expression and activity","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Peptide ligand-binding receptors","Biosynthesis of maresins","Opioid Signalling","Organic cation transport","SMAD2/SMAD3:SMAD4
 heterotrimer regulates transcription","Mitotic Anaphase","SARS-CoV-2 Genome Replication and Transcription","MECP2 regulates neuronal receptors and channels","NCAM1 interactions","SARS-CoV-1 Genome Re
plication and Transcription","RUNX3 Regulates Immune Response and Cell Migration","p53-Dependent G1 DNA Damage Response","HDR through Homologous Recombination (HRR)","Activation of the pre-replicative
 complex","Regulation of TP53 Activity","Interaction between L1 and Ankyrins","Post NMDA receptor activation events","ADORA2B mediated anti-inflammatory cytokines production",Adrenoceptors,"Synthesis 
of bile acids and bile salts via 7alpha-hydroxycholesterol","Biosynthesis of DPAn-3-derived protectins and resolvins","CYP2E1 reactions","Biosynthesis of DPAn-3-derived maresins","Muscarinic acetylcho
line receptors","Biosynthesis of maresin-like SPMs","G-protein activation","Nuclear Envelope (NE) Reassembly","Replication of the SARS-CoV-2 genome","Aromatic amines can be N-hydroxylated or N-dealkyl
ated by CYP1A2","Replication of the SARS-CoV-1 genome","Stabilization of p53","Homologous DNA Pairing and Strand Exchange","Dopamine receptors","Regulation of TP53 Expression and Degradation","Seroton
in receptors","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","Pr
esynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","Ras activation upon Ca2+ influx through NMDA receptor"}

> <broad_targets>
{CACNA1A,CALM1,OPRD1,OPRK1,OPRM1,POMC}

> <broad_moa>
{"opioid receptor agonist"}

> <synonyms>
{"Loperamide hydrochloride",34552-83-5,34552835,"Loperamide HCl",Imodium,Suprasec,Fortasec,"Imodium A-D","Imodium AD","Loperamide (hydrochloride)",UNII-77TI35393C,UNII77TI35393C,"Maalox Anti-Diarrheal
","Maalox AntiDiarrheal",MLS000069779,CHEBI:6533,MFCD00058581,77TI35393C,NSC-696356,NSC696356,Dissenten,Lopemid,Lopemin,T0209,S2480,SAM002564218,Prestw-144,CPD000058466}

> <pdid>
PD009698

> <targets>
{"Opioid Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{71420,57516049,43833345}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    4.4991   -8.4771    0.0000 O   0  0
    3.8490   -7.1253    0.0000 C   0  0
    2.3532   -7.0124    0.0000 C   0  0
    1.7031   -5.6606    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8805   -1.4410    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6923   -4.0811    0.0000 O   0  0
    4.0445   -4.5346    0.0000 C   0  0
    4.8897   -3.2954    0.0000 O   0  0
    4.6946   -5.8864    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15  6  1  0
 15 16  2  0
  5 17  1  0
 17 18  2  0
 17 19  1  0
 19  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15335

> <plate>
PLATE 001

> <well>
D11

> <supplier_cmpd_name>
Thalidomide

> <ctcr_id>
857

> <supplier_cmpd_id>
T0213

> <smiles>
O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1

> <pd_targets>
{CRBN,PTGS1,PTGS2,ALDH1A1,CUL4A,DDB1,RBX1,TNF,NFKB1,FGFR2,ORM1,ORM2,TSHR,TDP1,CYP1A2,AMPC}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Secreted protein","Other cytosolic protein","Membrane receptor",Oxidoreductase,Kinase,"Family A G protein-coupled receptor",Hydrolase,"Cytochrome P450","Protein Kinase"
,"Peptide receptor (family A GPCR)","Cytochrome P450 family 1","TK protein kinase group","Glycohormone receptor","Cytochrome P450 family 1A","Tyrosine protein kinase FGFR family","Cytochrome P450 1A1"
}

> <pathway_chembl>
{Enzymes,Receptors,"E3 ubiquitin ligase components","Eicosanoid turnover","Catalytic receptors","G protein-coupled receptors","Cytochrome P450",Cyclooxygenase,"Receptor kinases","Glycoprotein hormone 
receptors","CYP1 family","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type V RTKs: FGF (fibroblast growth factor) receptor family"}

> <pathway_reactome>
{Disease,Metabolism,"Immune System","DNA Repair","Infectious disease","Metabolism of lipids","Biological oxidations","Cytokine Signaling in Immune system","Diseases of signal transduction by growth fa
ctor receptors and second messengers","DNA Double-Strand Break Repair","SARS-CoV Infections","Fatty acid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionaliz
ation of compounds","Signaling by Interleukins","Signaling by FGFR in disease","Leishmania infection","Nonhomologous End-Joining (NHEJ)","Potential therapeutics for SARS","Arachidonic acid metabolism"
,"Biosynthesis of DPA-derived SPMs","Ethanol oxidation","Interleukin-10 signaling","Interleukin-1 family signaling","Signaling by FGFR2 in disease","Leishmania parasite growth and survival","Cytochrom
e P450 - arranged by substrate type","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of DPAn-3 SPMs","Interleukin-1 signaling","FGFR2 mutant receptor activation","Anti-inflammat
ory response favouring Leishmania parasite infection",Xenobiotics,"MAP3K8 (TPL2)-dependent MAPK1/3 activation","Activated point mutants of FGFR2","ADORA2B mediated anti-inflammatory cytokines producti
on","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{TNF}

> <broad_moa>
{"tumor necrosis factor production inhibitor"}

> <synonyms>
{thalidomide,50-35-1,50351,Thalomid,"2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione","2(2,6dioxopiperidin3yl)isoindoline1,3dione",Sedoval,(+/-)-THALIDOMIDE,(+/)THALIDOMIDE,Corronarobetin,Psycholiqui
d,Psychotablets,Theophilcholine,Algosediv,Asmadion,Bonbrain,Calmorex,Contergan,Distaval,Ectiluran,Enterosediv,T0213,66847,S1193,SAM002564245,1503607,Prestw-192,"NSC 66847",Thalidomide,CPD000058524,THA
LIDOMIDE}

> <pdid>
PD000977

> <targets>
{Apoptosis,Autophagy,Ligand for E3 Ligase}

> <classes>
{hypnotic,immunomodulatory agent,Apoptosis,Autophagy,PROTAC}

> <pubchem_cids>
{5426}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 44 48  0  0  1  0            999 V2000
   11.6848   -5.2786    0.0000 C   0  0
   10.3832   -6.0241    0.0000 C   0  0  1  0  0  0
   10.3780   -7.5241    0.0000 C   0  0  1  0  0  0
    9.0764   -8.2697    0.0000 C   0  0  2  0  0  0
    7.7800   -7.5152    0.0000 C   0  0  2  0  0  0
    7.7850   -6.0152    0.0000 C   0  0  1  0  0  0
    9.0867   -5.2697    0.0000 O   0  0
    6.4863   -5.2629    0.0000 O   0  0
    5.1851   -6.0107    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0  2  0  0  0
    2.5847   -6.0040    0.0000 C   0  0  2  0  0  0
    1.2883   -5.2495    0.0000 C   0  0  1  0  0  0
    1.2935   -3.7495    0.0000 C   0  0  2  0  0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    3.8915   -3.7585    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -5.1993   -3.0005    0.0000 C   0  0
   -6.4995   -3.7484    0.0000 C   0  0
   -7.7973   -2.9964    0.0000 C   0  0
   -7.7950   -1.4964    0.0000 C   0  0
   -6.4947   -0.7484    0.0000 C   0  0
   -9.0998   -3.7420    0.0000 O   0  0
  -10.3966   -2.9881    0.0000 C   0  0
   -6.4988   -5.2492    0.0000 O   0  0
   -5.1999   -5.9994    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -0.0030   -2.9951    0.0000 O   0  0
   -0.0133   -5.9950    0.0000 O   0  0
    2.5795   -7.5040    0.0000 O   0  0
    6.4784   -8.2608    0.0000 O   0  0
    9.0713   -9.7697    0.0000 O   0  0
   11.6745   -8.2786    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  6  8  1  6
  8  9  1  0
 10  9  1  6
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
 14 16  1  6
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 20  1  0
 26 27  2  0
 27 17  1  0
 24 28  1  6
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 31 34  1  0
 34 35  1  0
 30 36  1  0
 36 37  1  0
 19 38  1  0
 13 39  1  1
 12 40  1  6
 11 41  1  1
  5 42  1  1
  4 43  1  1
  3 44  1  6
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15336

> <plate>
PLATE 001

> <well>
E2

> <supplier_cmpd_name>
Methyl hesperidin

> <ctcr_id>
10962

> <supplier_cmpd_id>
T0228

> <smiles>
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)Oc1cc(c2C(=O)C[C@H](Oc2c1)c1cc(c(cc1)OC)OC)O)O)O)O)O)O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Methylhesperidin,Methyl-Hesperidin,MethylHesperidin,UNII-K324U7386B,UNIIK324U7386B,CHEBI:81056,K324U7386B,DSSTox_CID_841,DSSToxCID841,DSSTox-CID-841,"DSSTox CID 841",DSSTox_RID_75821,DSSToxRID75821,D
SSTox-RID-75821,"DSSTox RID 75821",DSSTox_GSID_20841,DSSToxGSID20841,DSSTox-GSID-20841,"DSSTox GSID 20841","CCRIS 4278",CAS-11013-97-1,CAS11013971,CHEMBL3184988,DTXSID7020841,HY-N0165,HYN0165,Tox21_20
2328,Tox21202328,Tox21-202328,"Tox21 202328",Tox21_302739,Tox21302739,Tox21-302739,"Tox21 302739",ZINC79216850,AKOS015,T0228,"Methyl hesperidin"}

> <pdid>
PD055218

> <targets>
{Akt,PKC}

> <classes>
{"Cytoskeletal Signaling","PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{5284419}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 30  0  0  1  0            999 V2000
    5.1937   -3.0093    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0  1  0  0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1875    2.6385    0.0000 C   0  0
   -4.6545    2.9516    0.0000 F   0  0
   -2.1832    3.7527    0.0000 F   0  0
   -3.6501    4.0654    0.0000 F   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4886   -5.2610    0.0000 C   0  0
    7.7876   -6.0110    0.0000 C   0  0
    9.0866   -5.2610    0.0000 F   0  0
    7.7875   -7.5110    0.0000 C   0  0
    9.0866   -8.2610    0.0000 F   0  0
    6.4885   -8.2610    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    3.8904   -8.2609    0.0000 F   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
  2 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 20  1  0
 27 28  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15337

> <plate>
PLATE 001

> <well>
E3

> <supplier_cmpd_name>
Sitagliptin

> <ctcr_id>
1051

> <supplier_cmpd_id>
T0242

> <smiles>
N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F

> <pd_targets>
{DPP4,DPP8,FAP,"DPP IV",DPP7,DPP9,ACE}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Protease,"Serine protease","Metallo protease","Serine protease SC clan","Metallo protease MAE clan","Serine protease S9B subfamily","Serine protease S9A subfamily","Seri
ne protease S28 family","Metallo protease M2 family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","SC: Serine (S) Peptidases","MA: Metallo (M) Peptidases","S9: Prolyl oligopeptidase","S28: Lysosomal Pro-Xaa carboxypeptidase","M2: Angiotensin-converting  (ACE a
nd ACE2)"}

> <pathway_reactome>
{"Metabolism of proteins","Immune System","Peptide hormone metabolism","Innate Immune System","Incretin synthesis",secretion,"and inactivation","Neutrophil degranulation","Metabolism of Angiotensinoge
n to Angiotensins",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)"}

> <broad_targets>
{DPP4}

> <broad_moa>
{"dipeptidyl peptidase inhibitor"}

> <synonyms>
{LEZ763,QFP0P1DV7Z,Sitagliptan,Sitagliptin,486460-32-6,486460326,Januvia,MK-0431,MK0431,Xelevia,"Sitagliptin phosphate",UNII-QFP0P1DV7Z,UNIIQFP0P1DV7Z,Tesavel,CHEBI:40237,"Sitagliptin (Prop.INN)","Sit
agliptin (INN:BAN)",sitagliptina,sitagliptine,sitagliptinum,Sitagliptin/,SR-,SR,T0242,1505831,SITAGLIPTIN}

> <pdid>
PD003506

> <targets>
{}

> <classes>
{"DPP4 inhibitor",antidiabetic}

> <pubchem_cids>
{4369359}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 19  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0  2  0  0  0
   -3.9492    0.8772    0.0000 O   0  0
   -4.9546    1.9903    0.0000 C   0  0  2  0  0  0
   -6.4441    1.8282    0.0000 C   0  0
   -7.0500    0.4561    0.0000 O   0  0
   -4.2067    3.2905    0.0000 C   0  0  1  0  0  0
   -4.8190    4.6599    0.0000 O   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -1.3214    2.4906    0.0000 F   0  0
   -3.0655    4.4450    0.0000 F   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  8  2  1  0
  9  6  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  6
 12 13  1  0
 11 14  1  0
 14 15  1  1
 14 16  1  0
 16  9  1  0
 16 17  1  0
 16 18  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15338

> <plate>
PLATE 001

> <well>
E4

> <supplier_cmpd_name>
Gemcitabine

> <ctcr_id>
2701

> <supplier_cmpd_id>
T0251

> <smiles>
NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F

> <pd_targets>
{REP,POLA1,POLA2,POLD1,POLD2,POLD3,POLD4,POLE,POLE2,POLE3,PRIM1,PRIM2,RRM1,RRM2,RRM2B,TYMS,CMPK1}

> <pathway_gtopdb>
{Enzyme,Transferase,Oxidoreductase}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Anti-infective targets","1.17.4.1 Ribonucleoside-diphosphate reductases","2.1.1.- Methyltransferases","Viral protein targets","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{Disease,"Cell Cycle",Metabolism,"Infectious disease",Mitotic,"Metabolism of nucleotides","SARS-CoV Infections","Mitotic G1 phase and G1/S transition","Interconversion of nucleotide di- and triphospha
tes","SARS-CoV-1 Infection","G1/S Transition","SARS-CoV-1 Genome Replication and Transcription","G1/S-Specific Transcription","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
{CMPK1,RRM1,RRM2,TYMS}

> <broad_moa>
{"ribonucleotide reductase inhibitor"}

> <synonyms>
{gemcitabine,95058-81-4,95058814,"2'-Deoxy-2',2'-difluorocytidine","2'Deoxy2',2'difluorocytidine","2',2'-Difluorodeoxycytidine","2',2'Difluorodeoxycytidine","Gemcitabine HCl",dFdC,"GEMCITABINE HYDROCH
LORIDE","Cytidine, 2'-deoxy-2',2'-difluoro-","Cytidine, 2'deoxy2',2'difluoro","Gemcitabine free base",UNII-B76N6SBZ8R,UNIIB76N6SBZ8R,103882-84-4,103882844,LY188011,2',2'-,T0251,T6069,S1714,Prestw-1266
,Gemcitabine,Gemcitabine}

> <pdid>
PD003524

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{60750}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 16 12  0  0  0  0            999 V2000
   15.2999    1.5088    0.0000 Li  0  3
   12.7999    1.5088    0.0000 Li  0  3
   10.2999    1.5088    0.0000 Li  0  3
    3.9000    2.2500    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.5986   -1.5008    0.0000 C   0  0
    3.8971   -2.2516    0.0000 O   0  5
    1.2993   -2.2504    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  5
    7.7992    0.0004    0.0000 O   0  0
    2.5761    1.5169    0.0000 C   0  0
    1.2762    0.7683    0.0000 O   0  5
    2.5773    3.0169    0.0000 O   0  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  5 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
  5 14  1  0
 14 15  1  0
 14 16  2  0
M  CHG  6   1   1   2   1   3   1   8  -1  12  -1  15  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15339

> <plate>
PLATE 001

> <well>
E5

> <supplier_cmpd_name>
Lithium citrate tribasic tetrahydrate

> <ctcr_id>
6617

> <supplier_cmpd_id>
T0256

> <smiles>
[Li+].[Li+].[Li+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Lithium citrate","Trilithium citrate",919-16-4,919164,"Citric acid trilithium salt","Lithium citrate anhydrous","CITRIC ACID, TRILITHIUM SALT","Lithium citrate tribasic tetrahydrate",1,2,"3-Propanet
ricarboxylic acid","3Propanetricarboxylic acid",2-hydroxy-,2hydroxy,"trilithium sal",T0256,T3605,1504269,Gastrodenol,"LITHIUM CITRATE"}

> <pdid>
PD009021

> <targets>
{}

> <classes>
{antidepressant}

> <pubchem_cids>
{13520,5129076}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 34  0  0  1  0            999 V2000
    6.1356   -1.0519    0.0000 C   0  0
    5.2020   -2.2259    0.0000 O   0  0
    3.7175   -2.0053    0.0000 C   0  0
    3.1695   -0.6090    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0  2  0  0  0
   -2.5245    2.0171    0.0000 N   0  0
   -2.2987    3.5008    0.0000 C   0  0
   -0.9014    4.0465    0.0000 O   0  0
   -3.4702    4.4390    0.0000 C   0  0
   -3.2445    5.9219    0.0000 F   0  0
   -4.6415    5.3761    0.0000 F   0  0
   -4.8674    3.8934    0.0000 F   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1866   -0.3858    0.0000 C   0  0
   -4.1219   -1.5585    0.0000 C   0  0
   -5.5842   -1.2247    0.0000 O   0  0
   -3.7881   -3.0209    0.0000 C   0  0
   -2.4366   -3.6717    0.0000 C   0  0
   -1.0852   -3.0209    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.2990   -2.9545    0.0000 C   0  0
    0.3661   -4.1302    0.0000 O   0  0
    0.9167   -5.5255    0.0000 C   0  0
    2.7822   -3.1780    0.0000 C   0  0
    3.3334   -4.5740    0.0000 O   0  0
    4.8170   -4.7955    0.0000 C   0  0
   -4.9611   -3.9603    0.0000 S   0  0
   -4.7354   -5.4432    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  1
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 12 14  1  0
 12 15  1  0
  8 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  3
 23 16  1  0
 23 24  1  0
 24  5  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  2  0
 28  3  1  0
 28 29  1  0
 29 30  1  0
 20 31  1  0
 31 32  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15340

> <plate>
PLATE 001

> <well>
E6

> <supplier_cmpd_name>
Colchicine

> <ctcr_id>
8186

> <supplier_cmpd_id>
T0320

> <smiles>
COc1cc2CC[C@H](NC(=O)C(F)(F)F)C3=CC(=O)C(=CC=C3c2c(OC)c1OC)SC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{UNII-56PC0J2FKW,UNII56PC0J2FKW,"UNII 56PC0J2FKW",76129-16-3,76129163,"76129 16 3",IDN-5005,IDN5005,"IDN 5005",NSC320301,56PC0J2FKW,"COLCHICINE DERIV",MLS002703053,"Colchicine, 10-demethoxy-10-(methyl
thio)-17,17,17-trifluoro-","Colchicine, 10demethoxy10(methylthio)17,17,17trifluoro",Colchicine,10deme}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{330851}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -4.0317   -0.7359    0.0000 S   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -6.1032   -2.4253    0.0000 O   0  0
   -6.2524    0.2436    0.0000 N   0  0
   -5.2526    1.3618    0.0000 C   0  0
   -5.5608    2.8298    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    7.7875   -7.5110    0.0000 C   0  0
    7.7876   -6.0110    0.0000 C   0  0
    6.4885   -5.2610    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
  9 18  1  0
 18 19  2  0
 19  6  1  0
  2 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15341

> <plate>
PLATE 001

> <well>
E7

> <supplier_cmpd_name>
Rosiglitazone

> <ctcr_id>
5579

> <supplier_cmpd_id>
T0334

> <smiles>
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c3ccccn3

> <pd_targets>
{PPARD,TRPC5,PPARA,PPARG,FFAR1,MAOA,CISD2,MAOB,AGTR1A,ABCB11,CISD1,CYP3A4,HSD17B10,KDM4E,HPGD,LMNA,RXRA,RARG,ABCC4,KCNH2,SLC10A1,CA2,TBXAS1,TRPM3,ACSL4}

> <pathway_gtopdb>
{"Transcription factor","Ion channel","Membrane receptor",Enzyme,"Unclassified protein",Transporter,"Epigenetic regulator","Other nuclear protein","Nuclear receptor","Voltage-gated ion channel","Famil
y A G protein-coupled receptor",Oxidoreductase,"Primary active transporter","Cytochrome P450",Eraser,"Electrochemical transporter",Lyase,"Nuclear hormone receptor subfamily 1","Transient receptor pote
ntial channel","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","ATP-binding cassette","Cytochrome P450 family 3","Lysine demethylase","Nuclear hormone receptor subfamily 2
","Potassium channels","SLC superfamily of solute carriers","Cytochrome P450 family 5","Nuclear hormone receptor subfamily 1 group C","Lipid-like ligand receptor (family A GPCR)","Short peptide recept
or (family A GPCR)","ABCB subfamily","Cytochrome P450 family 3A","Jumonji domain-containing","Nuclear hormone receptor subfamily 2 group B","Nuclear hormone receptor subfamily 1 group B","ABCC subfami
ly","Voltage-gated potassium channel","SLC10 family of sodium-bile acid co-transporters","Cytochrome P450 family 5A","Nuclear hormone receptor subfamily 1 group C member 2","Nuclear hormone receptor s
ubfamily 1 group C member 1","Nuclear hormone receptor subfamily 1 group C member 3","Free fatty acid receptor","Angiotensin receptor","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 2 group
 B member 1","Nuclear hormone receptor subfamily 1 group B member 3","Cytochrome P450 5A1"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,Transporters,"Nuclear hormone receptors","Voltage-gated ion channels","G protein-coupled receptors","Catecholamine turnover","ATP-binding cassette transporter family"
,"Cytochrome P450","Chromatin modifying enzymes","Eicosanoid turnover","SLC superfamily of solute carriers","Carbonic anhydrases","1C. Peroxisome proliferator-activated receptors","Transient Receptor 
Potential channels","Free fatty acid receptors","Angiotensin receptors","ABCB subfamily","CYP3 family","1.14.11.- Histone demethylases","Prostaglandin synthases","2B. Retinoid X receptors","1B. Retino
ic acid receptors","ABCC subfamily","Potassium channels","SLC10 family of sodium-bile acid co-transporters",CYP5,"CYP7 and CYP8 families","Voltage-gated potassium channels"}

> <pathway_reactome>
{Metabolism,"Developmental Biology","Gene expression (Transcription)","Cell Cycle",Hemostasis,"Muscle contraction","Transport of small molecules","The citric acid (TCA) cycle and respiratory electron 
transport","Nervous system development","Metabolism of lipids","RNA Polymerase II Transcription","Integration of energy metabolism","Biological oxidations","Metabolism of amino acids and derivatives",
Mitotic,"Platelet activation","signaling and aggregation","Cardiac conduction","O2/CO2 exchange in erythrocytes","Ion channel transport","Pyruvate metabolism and Citric Acid (TCA) cycle","Axon guidanc
e","Metabolism of steroids","Generic Transcription Pathway","Regulation of insulin secretion","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Br
anched-chain amino acid catabolism","M Phase","Response to elevated platelet cytosolic Ca2+","Phase 3 - rapid repolarisation","Erythrocytes take up carbon dioxide and release oxygen","Stimuli-sensing 
channels","Pyruvate metabolism","Netrin-1 signaling","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Transcriptional Regulation by MECP2","Free fatty acids regulate insulin secretion","Amin
e Oxidase reactions","Bile acid and bile salt metabolism","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Nuclear Receptor transcription pathway","Platelet degranulation","Cytochr
ome P450 - arranged by substrate type","TRP channels","Regulation of pyruvate dehydrogenase (PDH) complex","Role of second messengers in netrin-1 signaling","Activation of gene expression by SREBF (SR
EBP)","MECP2 regulates transcription factors","Fatty Acids bound to GPR40 (FFAR1) regulate insulin secretion","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Synthesis of b
ile acids and bile salts","Biosynthesis of maresins","Biosynthesis of D-series resolvins","Mitotic Anaphase","Recycling of bile acids and salts",Eicosanoids,"Intracellular metabolism of fatty acids re
gulates insulin secretion","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids and bi
le salts via 27-hydroxycholesterol","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{FFAR1,PPARG,TRPC5,TRPM3}

> <broad_moa>
{"insulin sensitizer","PPAR receptor agonist"}

> <synonyms>
{rosiglitazone,122320-73-4,122320734,Avandia,"5-(4-(2-(Methyl(pyridin-2-yl)amino)ethoxy)benzyl)thiazolidine-2,4-dione","5(4(2(Methyl(pyridin2yl)amino)ethoxy)benzyl)thiazolidine2,4dione",Brl-49653,Brl4
9653,Rosiglizole,"Brl 49653","rosiglitazone (Avandia)",BRL49653,Avandaryl,"TDZ 01",Avandamet,C18H19N3O3S,CHEBI:50122,MFCD0087176,T0334,1504263,Rosiglitazone,ROSIGLITAZONE}

> <pdid>
PD010041

> <targets>
{Autophagy,Ferroptosis,PPAR,TRP Channel}

> <classes>
{antidiabetic,Apoptosis,Autophagy,Cell Cycle/DNA Damage,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{77999}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 11 10  0  0  0  0            999 V2000
    5.0987   -1.1267    0.0000 Na  0  3
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  5
   -1.3032   -3.7490    0.0000 O   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
M  CHG  2   1   1  10  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15342

> <plate>
PLATE 001

> <well>
E8

> <supplier_cmpd_name>
Sodium salicylate

> <ctcr_id>
189

> <supplier_cmpd_id>
T0335

> <smiles>
[Na+].Oc1ccccc1C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"salicylate de sodium",SCHEMBL8922293,HMS500P03,"Sodium salicylate",54-21-7,54217,"Sodium 2-hydroxybenzoate","Sodium 2hydroxybenzoate",Salsonin,Clin,Enterosalicyl,Enterosalil,Entrosalyl,Glutosalyl,Ke
rasalicyl,Magsalyl,Alysine,Aroall,Kerosal,Nadisal,Salisod,"Benzoic a",T0335,1500533,"SODIUM SALICYLATE"}

> <pdid>
PD001760

> <targets>
{}

> <classes>
{keratolytic}

> <pubchem_cids>
{23698465,16760658}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
    9.0983   -0.7689    0.0000 C   0  0
    7.7972   -1.5154    0.0000 O   0  0
    6.4990   -0.7623    0.0000 C   0  0
    5.1972   -1.5092    0.0000 C   0  0
    3.8990   -0.7562    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5937   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.6051   -5.9945    0.0000 N   0  3
    2.6101   -7.4945    0.0000 O   0  5
    3.9019   -5.2406    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2570    0.0000 C   0  0
   -5.1937   -3.0093    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14  8  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
 13 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 12 30  1  0
M  CHG  2  21   1  22  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15343

> <plate>
PLATE 001

> <well>
E9

> <supplier_cmpd_name>
Nimodipine

> <ctcr_id>
6470

> <supplier_cmpd_id>
T0343

> <smiles>
COCCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OC(C)C)C

> <pd_targets>
{MAPT,CACNA1D,LMNA,NFO,BLM,CYP2C19,NR1H4,CYP2J2,ADORA1,ADORA2A,NPSR1,CYP1A2,PMP22,CNR1,ABCB11,FTL,CYP2C9,CACNA1C,NR3C2,CYP3A4,CYP2D6,TRPA1,NR1I2,CACNA1A,CACNA1B,CACNA1E,CACNA1F,CACNA1G,CACNA1H,CACNA1I
,CACNA1S,CACNA2D1,CACNA2D2,CACNA2D3,CACNA2D4,CACNB1,CACNB2,CACNB3,CACNB4,CACNG1,CACNG2,CACNG3,CACNG4,CACNG5,CACNG6,CACNG7,CACNG8,ADORA3,CFTR,AHR,NFKB1,THPO,TSHR,KMT2A,MEN1,CHRM1,LEF}

> <pathway_gtopdb>
{"Other cytosolic protein","Ion channel","Other nuclear protein",Enzyme,"Transcription factor","Membrane receptor","Unclassified protein",Transporter,"Auxiliary transport protein","Epigenetic regulato
r","Voltage-gated ion channel",Protease,Hydrolase,"Cytochrome P450","Nuclear receptor","Family A G protein-coupled receptor","Primary active transporter","Other ion channel","Calcium channel auxiliary
 subunit beta family",Reader,"Voltage-gated calcium channel","Cysteine protease","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","Peptide re
ceptor (family A GPCR)","Cytochrome P450 family 1","ATP-binding cassette","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 3","Transient receptor potential channel","Chloride channel",Br
omodomain,"Metallo protease","Cysteine protease CA clan","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group H","Nucleotide-like receptor (family A GPCR)","Short peptide receptor (
family A GPCR)","Cytochrome P450 family 1A","Lipid-like ligand receptor (family A GPCR)","ABCB subfamily","Nuclear hormone receptor subfamily 3 group C","Cytochrome P450 family 3A","Cytochrome P450 fa
mily 2D","Nuclear hormone receptor subfamily 1 group I","Cystic fibrosis transmembrane conductance regulator","Glycohormone receptor","Monoamine receptor","Metallo protease MAE clan","Cysteine proteas
e C1A family","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group H member 4","Adenosine receptor","Neuropeptide receptor","Cytochrome P450 1A1","Cannabinoid receptor","Cytochrome P450 
2C9","Nuclear hormone receptor subfamily 3 group C member 2","Cytochrome P450 3A4","Cytochrome P450 2D6","Nuclear hormone receptor subfamily 1 group I member 2","Acetylcholine receptor","Metallo prote
ase M34 family"}

> <pathway_chembl>
{"Ion channels",Enzymes,Receptors,Transporters,"Other protein targets","Voltage-gated ion channels","Cytochrome P450","Nuclear hormone receptors","G protein-coupled receptors","ATP-binding cassette tr
ansporter family","Other ion channels","Aryl hydrocarbon receptor","Voltage-gated calcium channels","CYP2 family: drug metabolising subset","1H. Liver X receptor-like receptors","Adenosine receptors",
"Neuropeptide S receptor","CYP1 family","Cannabinoid receptors","ABCB subfamily","Steroid hormone receptors","CYP3 family","Transient Receptor Potential channels","1I. Vitamin D receptor-like receptor
s","Chloride channels","Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","3C. 3-Ketosteroid receptors",CFTR}

> <pathway_reactome>
{"Neuronal System","Developmental Biology","Cell Cycle","DNA Repair",Metabolism,"Signal Transduction",Disease,"Vesicle-mediated transport","Metabolism of proteins","Transport of small molecules",Autop
hagy,"Immune System",Hemostasis,"Transmission across Chemical Synapses","Nervous system development",Mitotic,"DNA Double-Strand Break Repair","Biological oxidations","Metabolism of lipids","Signaling 
by GPCR","Infectious disease","Membrane Trafficking","Post-translational protein modification","Ion channel transport",Macroautophagy,"Cytokine Signaling in Immune system","Platelet activation","signa
ling and aggregation","Neurotransmitter receptors and postsynaptic signal transmission","Axon guidance","M Phase","Homology Directed Repair","Phase I - Functionalization of compounds","Metabolism of s
teroids","GPCR ligand binding","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR downstream signalling","trans-Golgi Network Vesicle Budding",SUMOylation,"B
iosynthesis of specialized proresolving mediators (SPMs)","Stimuli-sensing channels","Selective autophagy","Signaling by Interleukins","Platelet Aggregation (Plug Formation)","Uptake and actions of ba
cterial toxins","Activation of NMDA receptors and postsynaptic events","NCAM signaling for neurite out-growth","Mitotic Metaphase and Anaphase","HDR through Homologous Recombination (HRR) or Single St
rand Annealing (SSA)","Cytochrome P450 - arranged by substrate type","Bile acid and bile salt metabolism","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","G alpha (i) 
signalling events","Golgi Associated Vesicle Biogenesis","SUMO E3 ligases SUMOylate target proteins","Biosynthesis of DHA-derived SPMs","TRP channels",Aggrephagy,"Interleukin-1 family signaling","Upta
ke and function of anthrax toxins","Post NMDA receptor activation events","NCAM1 interactions","Mitotic Anaphase","HDR through Homologous Recombination (HRR)",Xenobiotics,"Synthesis of bile acids and 
bile salts","Fatty acids","Nucleotide-like (purinergic) receptors","Anti-inflammatory response favouring Leishmania parasite infection","SUMOylation of intracellular receptors","Biosynthesis of maresi
ns","Endogenous sterols","Interleukin-1 signaling","Amine ligand-binding receptors","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exch
ange","CYP2E1 reactions","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Adenosine P1 receptors","ADORA2B mediated anti-inflammatory cytokines production","Aromatic amines can be N
-hydroxylated or N-dealkylated by CYP1A2","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Biosynthesis of maresin-like SPMs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Musca
rinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{CFTR,NR3C2}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{nimodipine,66085-59-4,66085594,Nimotop,Periplum,Nimodipino,"BAY e 9736",Nimodipinum,Admon,"Nimodipinum (INN-Latin)","Nimodipinum (INNLatin)","Nimodipino (INN-Spanish)","Nimodipino (INNSpanish)","Bay-
E 9736","BayE 9736",Bay-e-9736,Baye9736,Nimodipine-d7,Nimodipined7,CHEBI:7575,"Nimodipine (Nimotop)",C21H26N2O7,MLS000863294,Nymalize,MFCD0,T0343,1503600,Prestw-918,Nimodipine,NIMODIPINE}

> <pdid>
PD000982

> <targets>
{}

> <classes>
{vasodilator}

> <pubchem_cids>
{4497}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 46 48  0  0  0  0            999 V2000
   -1.2250   -6.6252    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 N   0  0
    3.8805   -1.4410    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3042    3.7556    0.0000 O   0  0
   -1.3088    5.2564    0.0000 C   0  0
   -0.0126    6.0112    0.0000 C   0  0
   -6.4955    0.7438    0.0000 S   0  0
   -7.7955    1.4922    0.0000 O   0  0
   -6.4976    2.2438    0.0000 O   0  0
   -6.4940   -0.7570    0.0000 N   0  0
   -7.7924   -1.5082    0.0000 C   0  0
   -7.7909   -3.0082    0.0000 C   0  0
   -6.4912   -3.7570    0.0000 N   0  0
   -6.4897   -5.2570    0.0000 C   0  0
   -5.1929   -3.0058    0.0000 C   0  0
   -5.1943   -1.5058    0.0000 C   0  0
    7.6813    0.4341    0.0000 O   0  0
    7.6813   -1.0659    0.0000 C   0  0
    6.3820   -1.8155    0.0000 O   0  0
    8.9812   -1.8159    0.0000 C   0  0
   10.2812   -1.0659    0.0000 C   0  0
   11.5798   -1.8167    0.0000 O   0  0
   10.2827    0.4349    0.0000 C   0  0
   11.5827    1.1849    0.0000 C   0  0
   12.8812    0.4341    0.0000 O   0  0
   11.5841    2.6849    0.0000 O   0  0
   10.2824   -2.5959    0.0000 C   0  0
    8.9837   -3.3465    0.0000 O   0  0
   11.5816   -3.3456    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14  4  1  0
 14  8  2  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 17 24  1  0
 24 25  2  0
 24 26  2  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 33 27  1  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 41 42  1  0
 41 43  2  0
 38 44  1  0
 44 45  1  0
 44 46  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15344

> <plate>
PLATE 001

> <well>
E10

> <supplier_cmpd_name>
Sildenafil citrate

> <ctcr_id>
3359

> <supplier_cmpd_id>
T0467

> <smiles>
CCCc1nn(C)c2C(=O)NC(=Nc12)c3cc(ccc3OCC)[S](=O)(=O)N4CCN(C)CC4.OC(=O)CC(O)(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Revatio,Viagra,"Sildenafil Citrate",S1431}

> <pdid>

> <targets>
{PDE}

> <classes>
{Metabolism}

> <pubchem_cids>
{62853}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 60 62  0  0  0  0            999 V2000
   -7.7836   -6.0202    0.0000 C   0  0
   -7.7866   -4.5202    0.0000 C   0  0
   -6.4889   -3.7663    0.0000 O   0  0
   -6.4919   -2.2655    0.0000 C   0  0
   -7.7927   -1.5185    0.0000 O   0  0
   -5.1942   -1.5116    0.0000 C   0  0
   -5.1972   -0.0108    0.0000 C   0  0
   -3.8995    0.7431    0.0000 C   0  0
   -2.5987   -0.0038    0.0000 O   0  0
   -3.9026    2.2439    0.0000 O   0  0
   -2.6048    2.9978    0.0000 C   0  0
   -2.6058    4.4978    0.0000 C   0  0
   -1.3072    5.2487    0.0000 C   0  0
   -0.0077    4.4995    0.0000 C   0  0
    1.2909    5.2503    0.0000 C   0  0
   -0.0067    2.9995    0.0000 O   0  0
   -1.3053    2.2486    0.0000 C   0  0
   -1.3013    0.7478    0.0000 O   0  0
    0.0000    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2989   -2.2502    0.0000 C   0  0
    1.3000   -2.2500    0.0000 C   0  0
    1.3031   -3.7508    0.0000 O   0  0
    0.0054   -4.5047    0.0000 C   0  0
    0.0062   -6.0048    0.0000 C   0  0
   -1.2923   -6.7556    0.0000 C   0  0
   -2.6089   -7.4744    0.0000 C   0  0
    0.0081   -7.4632    0.0000 O   0  0
    0.0836   -8.9613    0.0000 C   0  0
   -2.5918   -6.0065    0.0000 C   0  0
   -3.8904   -6.7573    0.0000 O   0  0
   -2.5928   -4.5065    0.0000 C   0  0
   -3.8923   -3.7573    0.0000 C   0  0
   -1.2943   -3.7556    0.0000 O   0  0
    2.6000   -1.5000    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000   -2.2500    0.0000 C   0  0
    3.9000   -3.7500    0.0000 O   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000   -2.2500    0.0000 C   0  0
    6.4969   -3.7508    0.0000 C   0  0
    5.1968   -4.4990    0.0000 C   0  0
    7.8000   -1.5000    0.0000 C   0  0
    7.7644   -2.9996    0.0000 C   0  0
    9.0812   -0.7199    0.0000 O   0  0
    7.8000    0.0000    0.0000 C   0  0
    9.0989    0.7502    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
   -0.0164    1.4691    0.0000 C   0  0
    2.6163    1.4692    0.0000 O   0  0
   -3.9045    5.2501    0.0000 N   0  0
   -3.9033    6.7501    0.0000 C   0  0
   -5.2043    4.5015    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 11  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 26 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 24  1  0
 22 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 40 43  1  0
 43 44  1  0
 43 45  1  0
 43 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 48 50  1  0
 50 51  2  0
 50 52  1  0
 52 53  1  0
 52 54  1  0
 54 55  1  0
 55 19  1  0
 55 56  1  0
 55 57  1  0
 12 58  1  0
 58 59  1  0
 58 60  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15345

> <plate>
PLATE 001

> <well>
E11

> <supplier_cmpd_name>
Erythromycin ethylsuccinate

> <ctcr_id>
7033

> <supplier_cmpd_id>
T0474

> <smiles>
CCOC(=O)CCC(=O)OC1C(CC(C)OC1OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)C(=O)C(C)CC2(C)O)N(C)C

> <pd_targets>
{AMPC,RECD,SLCO1B3,SLCO1B1}

> <pathway_gtopdb>
{Enzyme,Transporter,Hydrolase,"Electrochemical transporter","SLC superfamily of solute carriers","SLC21/SLCO family of organic anion transporting polypeptides"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLCO family of organic anion transporting polypeptides"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Metabolism of steroids","Bile acid and bile salt metabolism","Recycling of bile acids and salts"}

> <broad_targets>
{ABCB1,ALB,CYP3A4,CYP51A1,KCNH2,MLNR,SLC47A1}

> <broad_moa>
{"cytochrome P450 inhibitor","protein synthesis inhibitor"}

> <synonyms>
{"Erythromycin ethyl succinate",1264-62-6,1264626,"Erythromycin, 2'-(ethyl butanedioate)","Erythromycin, 2'(ethyl butanedioate)",ST075191,NCGC00183038-01,NCGC0018303801,CPD001491659,CHEMBL4550869,CHEB
I:94382,HMS3259M20,STK177309,AKOS005410741,MCULE-7434719386,MCULE7434719386,NC00597,SMP2_000005,SMP2000005,SMP2-000005,"SMP2 000005",FT-0625701,FT0625701,5,6-tetrahydr,6tetrahydr,T0474,SAM002564242,"E
rythromycin ethylsuccinate"}

> <pdid>
PD002346

> <targets>
{Antibiotic,Autophagy,Bacterial,HIV}

> <classes>
{Anti-infection,Autophagy}

> <pubchem_cids>
{3256}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 48 49  0  0  1  0            999 V2000
   16.4060   -2.8271    0.0000 O   0  0
   13.9060   -2.8271    0.0000 O   0  0
   11.4060   -2.8271    0.0000 O   0  0
    8.9060   -2.8271    0.0000 Cl  0  5
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 C   0  0
    1.8032    3.1233    0.0000 N   0  0
    2.4134    4.4924    0.0000 C   0  0
    3.9053    4.6489    0.0000 O   0  0
    1.5317    5.7059    0.0000 C   0  0
    0.0400    5.5491    0.0000 C   0  0
   -0.5701    4.1788    0.0000 C   0  0
    0.3114    2.9665    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 O   0  0
    0.0049   -5.9994    0.0000 C   0  0
    1.3026   -5.2471    0.0000 O   0  0
    0.0080   -7.5002    0.0000 N   0  0
    1.3070   -8.2503    0.0000 C   0  0
    1.3071   -9.7503    0.0000 C   0  0
    0.0081  -10.5003    0.0000 C   0  0
   -1.2910   -9.7503    0.0000 C   0  0
   -1.2910   -8.2503    0.0000 C   0  0
    0.0081  -12.0011    0.0000 N   0  0
    1.3060  -12.7532    0.0000 C   0  0
    1.3036  -14.2532    0.0000 C   0  0
    0.0034  -15.0012    0.0000 C   0  0
   -1.2944  -14.2491    0.0000 C   0  0
   -1.2921  -12.7491    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.8417    6.7626    0.0000 C   0  0  1  0  0  0
   -1.6934    7.9974    0.0000 O   0  0
   -1.4104    5.3957    0.0000 C   0  0
   -2.8925    5.1650    0.0000 C   0  0
   -0.2316    8.1329    0.0000 C   0  0
   -1.1133    9.3464    0.0000 O   0  0
    1.2601    8.2897    0.0000 O   0  0
    2.1418    7.0762    0.0000 C   0  0
    6.4060   -2.8271    0.0000 H   0  3
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 10  1  0
 16 17  1  0
 17  8  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
 29 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 32  1  0
 22 38  1  0
 38 39  2  0
 39  7  1  0
 39 19  1  0
 14 40  1  0
 40 41  1  6
 40 42  1  0
 42 43  1  0
 40 44  1  0
 44 45  2  0
 44 46  1  0
 46 47  1  0
 47 13  1  0
M  CHG  2   4  -1  48   1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15346

> <plate>
PLATE 001

> <well>
F2

> <supplier_cmpd_name>
Irinotecan hydrochloride trihydrate

> <ctcr_id>
1738

> <supplier_cmpd_id>
T0486

> <smiles>
O.O.O.[Cl-].CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)[C@@](O)(CC)C(=O)OC4.[H+]

> <pd_targets>
{RMLC,NCOA1,NCOA3,HPGD,ALDH1A1,GLA,LMNA,KDM4E,HSD17B10,GAA,ACHE,MMP1,CYP3A4,PAX8,ADRA2C,SLC47A1,SLC22A3,SLC47A2,SLC22A1,CHRM4,SLC22A2,TOP1,TOP1MT}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other nuclear protein","Unclassified protein","Membrane receptor",Transporter,Isomerase,Writer,Oxidoreductase,Hydrolase,Eraser,Protease,"Cytochrome P450","Family A G pr
otein-coupled receptor","Electrochemical transporter","Histone acetyltransferase","Lysine demethylase","Cysteine protease","Metallo protease","Cytochrome P450 family 3","Small molecule receptor (famil
y A GPCR)","SLC superfamily of solute carriers","SRC family","Jumonji domain-containing","Cysteine protease CA clan","Metallo protease MAM clan","Cytochrome P450 family 3A","Monoamine receptor","SLC47
 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","Cysteine protease C1A family","Metallo protease M10A subfamily","Cytochrome P450 3A4","A
drenergic receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Chromatin modifying enzymes","Eicosanoid turnover","3.2.1.- Glycosidases","Acetylcholine turnover","Peptidases and proteinases","Cytochrome P450","G protein-coupled re
ceptors","SLC superfamily of solute carriers","DNA topoisomerases","2.3.1.48 Histone acetyltransferases (HATs)","Prostaglandin synthases","1.14.11.- Histone demethylases","MA: Metallo (M) Peptidases",
"CYP3 family",Adrenoceptors,"SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","Acetylcholine receptors (muscarinic)","M10: Matrix met
allopeptidase","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Immune System","Signal Transduction","Transport of small molecules","Metabolism of proteins","Metabolism of lipids","Biological oxidations",Mitotic,"Metabolism of ami
no acids and derivatives","Diseases of metabolism","Cytokine Signaling in Immune system","Signaling by GPCR","SLC-mediated transmembrane transport","Post-translational protein modification","Metabolis
m of steroids","Regulation of lipid metabolism by PPARalpha","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Sphingolipid metabolism","M Phase",
"Branched-chain amino acid catabolism","Diseases of carbohydrate metabolism","Phospholipid metabolism","Signaling by Interleukins","GPCR ligand binding","Transport of bile salts and organic acids","me
tal ions and amine compounds",SUMOylation,"Bile acid and bile salt metabolism","PPARA activates gene expression","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Glycosphingolipid metabolism","
Mitotic Metaphase and Anaphase","Glycogen storage diseases","Glycerophospholipid biosynthesis","Interleukin-4 and Interleukin-13 signaling","Class A/1 (Rhodopsin-like receptors)","Organic cation/anion
/zwitterion transport","SUMO E3 ligases SUMOylate target proteins","Synthesis of bile acids and bile salts","Biosynthesis of D-series resolvins","Mitotic Anaphase","Glycogen storage disease type II (G
AA)","Synthesis of PC","Biosynthesis of maresins","Amine ligand-binding receptors","Organic cation transport","SUMOylation of DNA replication proteins","Synthesis of bile acids and bile salts via 27-h
ydroxycholesterol","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs",Adrenoceptors,"Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{TOP1,TOP1MT}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{RESTW149,"IRINOTECAN HYDROCHLORIDE Trihydrate",136572-09-3,136572093,"Irinotecan Hcl Trihydrate",Camptosar,Campto,"CPT 11",Onivyde,UNII-042LAQ1IIS,UNII042LAQ1IIS,"CPT-11 Trihydrate","CPT11 Trihydrate
","Irinotecan (hydrochloride trihydrate)",CPT-11,CPT11,042LAQ1IIS,"Irinotecan hydrochloride hydrate",I,S2217,Prestw-1494,"Irinotecan HCl Trihydrate","Irinotecan hydrochloride trihydrate"}

> <pdid>
PD009733

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{60837,46911859}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 33  0  0  1  0            999 V2000
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.1996   -1.4928    0.0000 O   0  0
    2.6003   -1.4977    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2991    5.2500    0.0000 O   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    0.0000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0  1  0  0  0
   -2.5202   -4.6211    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0  1  0  0  0
    1.0957   -4.0166    0.0000 C   0  0
    0.4768   -5.3829    0.0000 C   0  0
   -1.0139   -5.2166    0.0000 C   0  0  1  0  0  0
   -2.3873   -5.9129    0.0000 C   0  0
   -2.2072   -7.4020    0.0000 C   0  0
   -0.7352   -7.6909    0.0000 C   0  0
   -0.1038   -9.0515    0.0000 O   0  0
   -0.0057   -6.3803    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13  7  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  6
 16 17  1  0
 17 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  6
 21 22  1  0
 23 22  1  1
 23 18  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 23  1  0
 20 29  1  0
 29  5  1  0
 29 15  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15347

> <plate>
PLATE 001

> <well>
F3

> <supplier_cmpd_name>
Abbolactone

> <ctcr_id>
4920

> <supplier_cmpd_id>
T0476

> <smiles>
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)C13

> <pd_targets>
{NR3C2,PGR,AR,NR3C1,ESR1,ESR2,CYP2C19,ABCB1,SLC47A1,CYP11B2,CYP17A1,SRD5A1,SRD5A2,SRD5A3,SHBG,CACNA1A,CACNA1B,CACNA1C,CACNA1D,CACNA1E,CACNA1F,CACNA1G,CACNA1H,CACNA1I,CACNA1S,CACNA2D1,CACNA2D2,CACNA2D3
,CACNA2D4,CACNB1,CACNB2,CACNB3,CACNB4,CACNG1,CACNG2,CACNG3,CACNG4,CACNG5,CACNG6,CACNG7,CACNG8,MAPT,LMNA}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,Transporter,"Secreted protein","Ion channel","Nuclear receptor","Cytochrome P450","Primary active transporter","Electrochemical transporter",Oxidoreductase,"Voltage-gate
d ion channel","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 2","ATP-binding cassette","SLC superfamily of solute carriers","Cytochrome P450 family 11","Cytochrome P450 family 17","Vo
ltage-gated calcium channel","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group A","Cytochrome P450 family 2C","ABCB subfamily","SLC47 family of multidrug and t
oxin extrusion transporters","Cytochrome P450 family 11B","Cytochrome P450 family 17A","Nuclear hormone receptor subfamily 3 group C member 2","Nuclear hormone receptor subfamily 3 group C member 3","
Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 3 group C member 1","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfami
ly 3 group A member 2","Cytochrome P450 2C19","Cytochrome P450 11B2","Cytochrome P450 17A1","Other cytosolic protein","Other nuclear protein"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Cytochrome P450","ATP-binding cassette transporter family","SLC superfamily of solute carriers","Steroid hormone receptors","CYP2 family: d
rug metabolising subset","ABCB subfamily","SLC47 family of multidrug and toxin extrusion transporters",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","3C. 3-Ketosteroid receptors","3A. Estrogen receptor
s"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)","Signal Transduction",Metabolism,"Transport of small molecules","Post-translational protein modification","RNA Polymerase II Transcription",
"Intracellular signaling by second messengers","Biological oxidations","Abacavir transport and metabolism","SLC-mediated transmembrane transport","Metabolism of lipids",SUMOylation,"Generic Transcript
ion Pathway","PIP3 activates AKT signaling","Phase I - Functionalization of compounds","Abacavir transmembrane transport","Transport of bile salts and organic acids","metal ions and amine compounds","
Metabolism of steroids","SUMO E3 ligases SUMOylate target proteins","Transcriptional regulation by RUNX2","FOXO-mediated transcription","Transcriptional regulation by RUNX1","Negative regulation of th
e PI3K/AKT network","Cytochrome P450 - arranged by substrate type","Metabolism of steroid hormones","SUMOylation of intracellular receptors","RUNX2 regulates bone development","FOXO-mediated transcrip
tion of oxidative stress","metabolic and neuronal genes","RUNX1 regulates estrogen receptor mediated transcription",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling",Xenobiotics,"Endogenous sterols","A
ndrogen biosynthesis","RUNX2 regulates osteoblast differentiation","CYP2E1 reactions","Neuronal System","Cell Cycle","Transmission across Chemical Synapses",Mitotic,"Neurotransmitter receptors and pos
tsynaptic signal transmission","M Phase","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Post NMDA receptor activation events","Mitotic Anaphase","Activation o
f AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{AR,CACNA1A,CACNA1B,CACNA1C,CACNA1D,CACNA1F,CACNA1G,CACNA1H,CACNA1I,CACNA1S,CACNA2D1,CACNA2D2,CACNA2D3,CACNB1,CACNB2,CACNB3,CACNB4,CACNG1,CYP11B2,NR3C1,NR3C2,PGR,SHBG}

> <broad_moa>
{"mineralocorticoid receptor antagonist"}

> <synonyms>
{AB00052091_02,AB0005209102,AB00052091-02,"AB00052091 02",Spectrum_000956,Spectrum000956,Spectrum-000956,"Spectrum 000956",Spectrum2_001316,Spectrum2001316,Spectrum2-001316,"Spectrum2 001316",Spectrum
3_000899,Spectrum3000899,Spectrum3-000899,"Spectrum3 000899",Spectrum4_000994,Spectrum4000994,Spectrum4-000994,"Spectrum4 000994",Spectrum5_001110,Spectrum5001110,Spectrum5-001110,"Spectrum5 001110",K
BioGR_001427,KBioGR001427,KBioGR-001427,"KBioGR 001427",KBioSS_001436,KBioSS001436,KBioSS-001436,"KBioSS 001436",SPECTRUM1500539,SPBio_001411,SPBio001411,SPBio-001411,"SPBio 001411",cid_6710654,cid671
0654,cid-6710654,"cid 6710654",KBio2_001436,KBio2001436,KBio2-001436,"KBio2 001436",KBio2_004004,KBio2004004,KBio2-004004,"KBio2 004004",KBio2_006572,KBio2006572,KBio2-006572,"KBio2 006572",KBio3_0018
18,KBio3001818,KBio3-001818,"KBio3 001818",BDBM200299,HMS1921A03,T0476,1500539,Abbolactone,SPIRONOLACTONE}

> <pdid>
PD001755

> <targets>
{}

> <classes>
{diuretic}

> <pubchem_cids>
{6710654}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    3.2900   -2.6972    0.0000 Cl  0  0
    2.3258   -1.5481    0.0000 C   0  0
    2.8388   -0.1385    0.0000 C   0  0
    1.8747    1.0105    0.0000 C   0  0
    0.3975    0.7500    0.0000 C   0  0
   -0.1156   -0.6595    0.0000 C   0  0
    0.8486   -1.8086    0.0000 C   0  0
    0.8486   -3.3094    0.0000 C   0  0
   -0.4507   -4.0606    0.0000 N   0  0
   -0.0728   -5.4990    0.0000 C   0  0
   -1.3443   -6.2947    0.0000 C   0  0
   -2.4940   -5.3313    0.0000 N   0  0
   -1.9330   -3.9401    0.0000 C   0  0
    2.1485   -4.0593    0.0000 C   0  0
    2.1490   -5.5594    0.0000 C   0  0
    3.4483   -6.3089    0.0000 C   0  0
    4.7471   -5.5585    0.0000 C   0  0
    4.7466   -4.0585    0.0000 C   0  0
    3.4473   -3.3089    0.0000 C   0  0
   -0.4513   -2.5594    0.0000 C   0  0
   -1.7501   -3.3098    0.0000 C   0  0
   -3.0494   -2.5603    0.0000 C   0  0
   -3.0499   -1.0603    0.0000 C   0  0
   -1.7511   -0.3098    0.0000 C   0  0
   -0.4518   -1.0594    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  9  1  0
  8 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
  8 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15348

> <plate>
PLATE 001

> <well>
F4

> <supplier_cmpd_name>
Clotrimazole

> <ctcr_id>
6877

> <supplier_cmpd_id>
T0506

> <smiles>
Clc1ccccc1C(n2ccnc2)(c3ccccc3)c4ccccc4

> <pd_targets>
{CYP8B1,CYP2C19,RORC,KMT2A,MEN1,BLM,NPSR1,ADRB2,AMPC,CYP17A1,ABCB1,NR1I3,CYP3A4,NFKB1,CYP1A2,ADRA1A,CYP121,KCNN4,HIF1A,TP53,SKA,CYP2C9,CYP125,CYP130,CYP2C8,FTL,MAPK1,CYP2D6,HMOX1,L3MBTL1,KCNH2,LMNA,HT
T,VCP,MAPT,USP2,THPO,CYP142,NFO,CHRM1,CYP19A1,PYK,PGR,HTR1B,ATP2A1,CYP51,AR,GMNN,CYP144,MDH1,CYP51B,ATP4A,ATP4B,TSHR,PMP22,ALOX15,GLA,NR1H4,ABCB1A,ABCB1B,ADRA2B,CA2,DRD2,DRD4,CYSLTR1,CHRM2,CHRM4,OPRK1
,PTAFR,HTR2A,HTR6,SLC6A4,TACR2,AVPR2,CACNA1C,ADORA1,ADRB1,HRH1,HTR1A,IDO1,SLC22A1,ADORA2A,ADRA2A,ADRB3,OPRD1,HTR2B,TACR1,CXCR1,ADORA3,DRD3,CHRM3,ADRA1D,NR3C1,FYN,HRH2,OPRM1,HTR2C,TBXAS1,CCR4,KCNA3,SLC
6A2,PTGS2,SLC6A3,ERBB2,IDO2,CYP51A1,ACHE,EGFR,TRPM2,TRPM4,TRPM8,NR1I2,ERG11,HCAR2}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Membrane receptor",Transporter,"Other cytosolic protein","Ion channel","Unclassified protein","Other nuclear protein",Oxidoreductase,"Cytochrome 
P450","Nuclear receptor",Reader,"Family A G protein-coupled receptor",Hydrolase,"Primary active transporter","Voltage-gated ion channel",Kinase,Protease,Transferase,Lyase,"Electrochemical transporter"
,"Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1",Bromodomain,"Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Cytochrome P450 family 17","ATP-binding cas
sette","Cytochrome P450 family 3","Cytochrome P450 family 1","Potassium channels","Protein Kinase","Methyl-lysine/arginine binding protein","Endoplasmic reticular retrotranslocon family","Cysteine pro
tease","Serine protease","Cytochrome P450 family 19","Nuclear hormone receptor subfamily 3","P-type ATPase","Cytochrome P450 family 51","SLC superfamily of solute carriers","Voltage-gated calcium chan
nel","Cytochrome P450 family 5","Transient receptor potential channel","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Monoamine re
ceptor","Cytochrome P450 family 17A","ABCB subfamily","Nuclear hormone receptor subfamily 1 group I","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Calcium-activated potassium channel","CMGC
 protein kinase group","Cytochrome P450 family 2D","MBT domain","Voltage-gated potassium channel","Cysteine protease CA clan","Serine protease PA clan","Cytochrome P450 family 19A","Nuclear hormone re
ceptor subfamily 3 group C","Calcium ATPase","Cytochrome P450 family 51A","Hydrogen potassium ATPase","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group H","Lipid-like ligand receptor
 (family A GPCR)","SLC06 neurotransmitter transporter family","Nucleotide-like receptor (family A GPCR)","SLC22 family of organic cation and anion transporters","Chemokine receptor","TK protein kinase
 group","Cytochrome P450 family 5A","Carboxylic acid receptor","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group F member 3","Neuropeptide receptor","Adrenergic receptor","Cytochrome 
P450 17A1","Nuclear hormone receptor subfamily 1 group I member 3","Cytochrome P450 3A4","Cytochrome P450 1A1","Cytochrome P450 2C9","Cytochrome P450 2C8","CMGC protein kinase MAPK family","Cytochrome
 P450 2D6","Cysteine protease C19 family","Serine protease S1A subfamily","Acetylcholine receptor","Cytochrome P450 19A1","Nuclear hormone receptor subfamily 3 group C member 3","Serotonin receptor","
Cytochrome P450 51A1","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 1 group H member 4","Dopamine receptor","Leukotriene receptor","Opioid receptor","PAF 
receptor","Neurokinin receptor","Vasopressin and oxytocin receptor","Adenosine receptor","Histamine receptor","CXC chemokine receptor","Nuclear hormone receptor subfamily 3 group C member 1","Tyrosine
 protein kinase Src family","Cytochrome P450 5A1","CC chemokine receptor","Tyrosine protein kinase EGFR family","Nuclear hormone receptor subfamily 1 group I member 2","Hydroxycarboxylic acid receptor
","CMGC protein kinase ERK1","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Cytochrome P450","Nuclear hormone receptors","G protein-coupled receptors","ATP-binding cassette transporter family","Voltage-gated ion channels","Kinas
es (EC 2.7.x.x)","Haem oxygenase","Peptidases and proteinases","P-type ATPases","Eicosanoid turnover","Carbonic anhydrases","SLC superfamily of solute carriers","1.13.11.- Dioxygenases","Catalytic rec
eptors","Acetylcholine turnover",CYP5,"CYP7 and CYP8 families","CYP2 family: drug metabolising subset","1F. Retinoic acid-related orphans","Neuropeptide S receptor",Adrenoceptors,CYP11,CYP17,CYP19,"CY
P20 and CYP21 families","ABCB subfamily","1I. Vitamin D receptor-like receptors","CYP3 family","CYP1 family","Potassium channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CA: Cysteine (C) Pept
idases","Acetylcholine receptors (muscarinic)","5-Hydroxytryptamine receptors","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","Steroid hormone receptors","Glycoprotein hormone receptors",Lipoxygenases,
"1H. Liver X receptor-like receptors","Dopamine receptors","Leukotriene receptors","Opioid receptors","Platelet-activating factor receptor","SLC6 neurotransmitter transporter family","Tachykinin recep
tors","Vasopressin and oxytocin receptors","Voltage-gated calcium channels","Adenosine receptors","Histamine receptors","SLC22 family of organic cation and anion transporters","Chemokine receptors","R
eceptor kinases",Cyclooxygenase,CYP39,"CYP46 and CYP51 families","Transient Receptor Potential channels","Hydroxycarboxylic acid receptors","Calcium- and sodium-activated potassium channels","Mitogen-
activated protein kinases (MAP kinases)","Voltage-gated potassium channels","C19: Ubiquitin-specific protease","3C. 3-Ketosteroid receptors","Monoamine transporter subfamily","Organic cation transport
ers (OCT)","TK: Tyrosine kinase","ERK subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Src family","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","DNA Repair",Disease,"Immune System","Signal Transduction","Neuronal System","Cellular responses to external stimuli","Cell Cycle","Vesicle-mediated trans
port","Muscle contraction",Hemostasis,"Developmental Biology","Transport of small molecules","Metabolism of proteins","Biological oxidations","RNA Polymerase II Transcription","DNA Double-Strand Break
 Repair","Infectious disease","Metabolism of lipids","Abacavir transport and metabolism","Cytokine Signaling in Immune system","Signaling by GPCR","Potassium Channels","Cellular responses to stress","
Cell Cycle Checkpoints","Membrane Trafficking","Innate Immune System","Cardiac conduction",Mitotic,"Transmission across Chemical Synapses","Platelet activation","signaling and aggregation","Platelet h
omeostasis","Metabolism of carbohydrates","Nervous system development","O2/CO2 exchange in erythrocytes","Metabolism of amino acids and derivatives","SLC-mediated transmembrane transport","Disorders o
f transmembrane transporters","Ion channel transport","Post-translational protein modification","Phase I - Functionalization of compounds","Generic Transcription Pathway","Homology Directed Repair","L
eishmania infection","Metabolism of steroids","Abacavir transmembrane transport","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by Interleukins","GPCR ligand binding","Ca2+ act
ivated K+ channels","Cellular response to hypoxia","G1/S DNA Damage Checkpoints","trans-Golgi Network Vesicle Budding","Toll-like Receptor Cascades","Phase 3 - rapid repolarisation","M Phase","SARS-Co
V Infections","Neurotransmitter receptors and postsynaptic signal transmission","Platelet Aggregation (Plug Formation)","Platelet calcium homeostasis","Mitotic G1 phase and G1/S transition","Glucose m
etabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Sphingolipid metabolism","Erythrocytes take up carbon dioxide and release oxygen","Interferon Signaling","Neurotransmitter 
clearance","Axon guidance","Tryptophan catabolism","Transport of bile salts and organic acids","metal ions and amine compounds","HIV Infection","GPCR downstream signalling","Voltage gated Potassium ch
annels","SLC transporter disorders","Phospholipid metabolism","Stimuli-sensing channels",SUMOylation,"Cytochrome P450 - arranged by substrate type","Transcriptional regulation by RUNX3","HDR through H
omologous Recombination (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","Metabolism of steroid hormones","Nuclear Receptor transcription pathway","Biosynthesis of DHA
-derived SPMs","Interleukin-1 family signaling","Class A/1 (Rhodopsin-like receptors)","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","p53-Dependent G1/S DNA damage checkpo
int","Golgi Associated Vesicle Biogenesis","Toll Like Receptor 5 (TLR5) Cascade","Interleukin-4 and Interleukin-13 signaling","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Tra
nscriptional Regulation by MECP2","SARS-CoV-1 Infection","Activation of NMDA receptors and postsynaptic events","Reduction of cytosolic Ca++ levels","Transcriptional regulation by RUNX2","G1/S Transit
ion",Gluconeogenesis,"Biosynthesis of DPA-derived SPMs","Glycosphingolipid metabolism","Bile acid and bile salt metabolism","Interferon gamma signaling","Serotonin clearance from the synaptic cleft","
NCAM signaling for neurite out-growth","Organic cation/anion/zwitterion transport","FOXO-mediated transcription","Host Interactions of HIV factors","G alpha (i) signalling events","Defective SLC6A2 ca
uses orthostatic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Semaphorin interactions","Glycerophospholipid biosynthesis","G alpha (q) signalling events","TRP c
hannels","SUMO E3 ligases SUMOylate target proteins","Endogenous sterols",Xenobiotics,"RUNX3 Regulates Immune Response and Cell Migration","HDR through Homologous Recombination (HRR)","Anti-inflammato
ry response favouring Leishmania parasite infection","Androgen biosynthesis","Biosynthesis of maresins","Interleukin-1 signaling","Amine ligand-binding receptors","p53-Dependent G1 DNA Damage Response
","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity","Mitotic Anaphase","Regulation of MECP2 expression and activity","Attachment and Entry","Post NMDA receptor activation even
ts","RUNX2 regulates bone development","Activation of the pre-replicative complex","Biosynthesis of DPAn-3 SPMs","Synthesis of bile acids and bile salts","MECP2 regulates neuronal receptors and channe
ls","Peptide ligand-binding receptors","NCAM1 interactions","Nucleotide-like (purinergic) receptors","Organic cation transport","FOXO-mediated transcription of oxidative stress","metabolic and neurona
l genes","The role of Nef in HIV-1 replication and disease pathogenesis","Opioid Signalling",Eicosanoids,"Sema4D in semaphorin signaling","Synthesis of PC","Gastrin-CREB signalling pathway via PKC and
 MAPK","SUMOylation of intracellular receptors","Hydroxycarboxylic acid-binding receptors","Sterols are 12-hydroxylated by CYP8B1","CYP2E1 reactions","Homologous DNA Pairing and Strand Exchange","ADOR
A2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"
,Adrenoceptors,"Stabilization of p53","MAP kinase activation","Regulation of TP53 Activity through Methylation","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Regulation
 of TP53 Expression and Degradation","Muscarinic acetylcholine receptors","Serotonin receptors","RUNX2 regulates osteoblast differentiation","Biosynthesis of DPAn-3-derived protectins and resolvins","
Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Dopamine receptors","LTC4-CYSLTR mediated IL4 production","Tachykinin receptors bind tachykinins","Adenosine P1 receptors","Histamine
 receptors","Chemokine receptors bind chemokines","Nef and signal transduction","G-protein activation","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by Gastrin","Presy
naptic phase of homologous DNA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE
) Reformation","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"sterol demethylase inhibitor"}

> <synonyms>
{clotrimazole,23593-75-1,23593751,Lotrimin,Canesten,Mycelex,Clotrimazol,Mycosporin,Empecid,Mykosporin,"Gyne lotrimin",Chlotrimazole,Trimysten,1-(o-Chlorotrityl)imidazole,1(oChlorotrityl)imidazole,"Myc
elex G",Rimazole,"Mycelex 7",Tibatin,Mono-baycuten,Monobaycuten,"Lotrimin AF Cream",Mycele,T0506,NSC257473,SAM001247056,1500200,Prestw-267,"NSC 257473",Clotrimazole,CPD000058306,CLOTRIMAZOLE}

> <pdid>
PD002411

> <targets>
{}

> <classes>
{antifungal}

> <pubchem_cids>
{2812}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    5.1983   -3.0012    0.0000 N   0  0
    5.1988   -1.5012    0.0000 C   0  0
    6.4983   -0.7520    0.0000 N   0  0
    3.8990   -0.7508    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8975   -2.2510    0.0000 O   0  0
    2.5983   -3.0004    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  2  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15349

> <plate>
PLATE 001

> <well>
F5

> <supplier_cmpd_name>
Sulfaguanidine

> <ctcr_id>
3541

> <supplier_cmpd_id>
T0510

> <smiles>
NC(=N)N[S](=O)(=O)c1ccc(N)cc1

> <pd_targets>
{PRSS1,PRSS2,PRSS3,LMNA,F2,AMPC}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Protease,Hydrolase,"Serine protease","Serine protease PA clan","Serine protease S1A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","PA: Serine (S) Peptidases","S1: Chymotrypsin"}

> <pathway_reactome>
{"Cell Cycle",Disease,Mitotic,"Diseases of hemostasis","M Phase","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Mitotic Metaphase and Anaphase","Defective factor VIII 
causes hemophilia A","Mitotic Anaphase","Defective F8 cleavage by thrombin","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial antifolate"}

> <synonyms>
{57-67-0,57670,Sulfaguanidin,Sulphaguanidine,Sulfaguine,Guanicil,Sulfanilguanidine,Sulfoguanidine,Sulfaguanil,Sulfanilylguanidine,Sulfoguanil,Sulfoguanyl,Abiguanil,Guanidan,Sulfentidine,Aterian,Ganida
n,Guamide,Orgaguanidon,Sulfaguan,1501146,Prestw-10,SULFAGUANIDINE,Sulfaguanidine}

> <pdid>
PD001497

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5324}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

  7  6  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 N   0  0
    5.1992    0.0004    0.0000 O   0  0
    2.6000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  4  7  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15350

> <plate>
PLATE 001

> <well>
F6

> <supplier_cmpd_name>
2,3-Butanedione 2-Monoxime

> <ctcr_id>
11399

> <supplier_cmpd_id>
T2176

> <smiles>
CC(=O)/C(=N/O)/C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{57716,3-(hydroxyimino)butan-2-one,3(hydroxyimino)butan2one,"(E)-diacetyl monoxime","(E)diacetyl monoxime",(3Z)-3-hydroxyiminobutan-2-one,(3Z)3hydroxyiminobutan2one,"Butane-2,3-dione monooxime","Butan
e2,3dione monooxime",Tocris-0936,Tocris0936,Lopac-B-0753,LopacB0753,CHEMBL335741,SCHEMBL7069443,(E)-3-(hydroxyimino)butan-2-on,(E)3(hydroxyimino)butan2on,(3Z)-3-hydroxyimino-butan-2-one,3-((E)-Hydroxy
imi,3((E)Hydroxyimi,T2176,"2,3-Butanedione 2-Monoxime"}

> <pdid>
PD015454

> <targets>
{Akt}

> <classes>
{"Cytoskeletal Signaling","PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{6398997}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -9.0952   -0.7567    0.0000 O   0  0
   -7.7926   -3.0046    0.0000 C   0  0
   -9.0904   -3.7567    0.0000 O   0  0
   -6.4923   -3.7525    0.0000 C   0  0
   -6.4900   -5.2525    0.0000 O   0  0
   -5.1945   -3.0005    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12  6  1  0
 12 13  2  0
 13  2  1  0
 10 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 22 14  1  0
  9 23  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15351

> <plate>
PLATE 001

> <well>
F7

> <supplier_cmpd_name>
Myricetin

> <ctcr_id>
5209

> <supplier_cmpd_id>
T0579

> <smiles>
Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3)O

> <pd_targets>
{IP6K2,IPMK,REP,POL,PIM1,MYLK,ACHE,KMT2A,MEN1,HSD17B10,THPO,KDM4E,APEX1,TDP1,MAPT,ALOX15,CYP2C9,ALPI,APOBEC3A,HSD17B3,DXR,ALPG,GLO1,SYK,BACE1,CSNK2A1,CSNK2A2,CSNK2B,CASP6,DAPK1,TOP2A,CDK5,PYK,RECQL,AL
DH1A1,DPP4,LEF,BLM,USP2,CYP1A1,AKR1B1,CYP19A1,FABI,INSR,NA,ALD,HPGD,IMPA1,APOBEC3G,FABZ,PIK3CG,AURKB,ELAVL3,E6,FLT3,APP,CBS,BRAF,PRKCA,PRKCB,PRKCD,PRKCE,PRKCG,PRKCH,PRKCQ,PRKCZ,CSNK2A3,AMY1A,HIF1A,PMP
22,CYP3A4,ALPL,CYP1A2,AKR1C21,CYP1B1,CD38,CYP2C19,FFP,CYP2D6,HTT,ABCC2,FABG,XDH,ABCC1,STK33,MAPK10,MAPK14,V-FPS,BCHE,ALOX12,L3MBTL1,AMPC,PSIP1,PRSS1,TGR,POLB,HSP90AB1,SLC2A2,MTOR,GPR35,IDE,DHODH,PSMB5
,SLC2A4,CASP7,NS3}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein","Other cytosolic protein","Membrane receptor","Transcription factor",Transporter,Transferase,Hydrolase,Kinase,Reader,Oxidoreductase,Eraser,Proteas
e,"Cytochrome P450",Phosphatase,Lyase,Isomerase,"Primary active transporter","Electrochemical transporter","Family A G protein-coupled receptor","Protein Kinase",Bromodomain,"Lysine demethylase","Cyst
eine protease","Cytochrome P450 family 2","Aspartic protease","Serine protease","Metallo protease","Cytochrome P450 family 1","Cytochrome P450 family 19","Cytochrome P450 family 3","ATP-binding casset
te","Methyl-lysine/arginine binding protein","SLC superfamily of solute carriers","Small molecule receptor (family A GPCR)","Threonine protease","CAMK protein kinase group","Jumonji domain-containing"
,"Cysteine protease CA clan","Cytochrome P450 family 2C","TK protein kinase group","Aspartic protease AA clan","Other protein kinase group","Cysteine protease CD clan","CMGC protein kinase group","Ser
ine protease SC clan","Metallo protease MAE clan","Cytochrome P450 family 1A","Cytochrome P450 family 19A","TKL protein kinase group","AGC protein kinase group","Cytochrome P450 family 3A","Cytochrome
 P450 family 1B","Cytochrome P450 family 2D","ABCC subfamily","MBT domain","Serine protease PA clan","SLC02 family of hexose and sugar alcohol transporters","Atypical protein kinase group","Carboxylic
 acid receptor","Threonine protease PBT clan","CAMK protein kinase PIM family","CAMK protein kinase MLCK family","Cysteine protease C1A family","Cytochrome P450 2C9","Tyrosine protein kinase Syk famil
y","Aspartic protease A1A subfamily","Other protein kinase CK2 family","Cysteine protease C14 family","CAMK protein kinase DAPK family","CMGC protein kinase CDK family","Serine protease S9B subfamily"
,"Metallo protease M34 family","Cysteine protease C19 family","Cytochrome P450 1A1","Cytochrome P450 19A1","Tyrosine protein kinase InsR family","Other protein kinase AUR family","Tyrosine protein kin
ase PDGFR family","TKL protein kinase RAF family","AGC protein kinase PKC family","Cytochrome P450 3A4","Cytochrome P450 1B1","Cytochrome P450 2C19","Cytochrome P450 2D6","CAMK protein kinase unique f
amily","CMGC protein kinase MAPK family","Tyrosine protein kinase Fer family","Serine protease S1A subfamily","Atypical protein kinase PIKK family","Kynurenic acid receptor","Threonine protease T1A su
bfamily","CMGC protein kinase CDK5 subfamily","AGC protein kinase PKC alpha subfamily","CMGC protein kinase JNK subfamily","CMGC protein kinase p38 subfamily","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,Transporters,"Anti-infective targets","Kinases (EC 2.7.x.x)","Acetylcholine turnover","Chromatin modifying enzymes","Eicosanoid turnover","Cytochrome P450","
Catalytic receptors","Peptidases and proteinases","DNA topoisomerases","1.-.-.- Oxidoreductases","Inositol phosphate turnover","Hydrogen sulphide synthesis","Abscisic acid receptor complex","ATP-bindi
ng cassette transporter family","Heat shock proteins","SLC superfamily of solute carriers","G protein-coupled receptors","Viral protein targets","CAMK: Calcium/calmodulin-dependent protein kinases","1
.14.11.- Histone demethylases",Lipoxygenases,"CYP2 family: drug metabolising subset","Receptor kinases","AA: Aspartic (A) Peptidases","CD: Cysteine (C) Peptidases","CMGC: Containing CDK",MAPK,GSK3,"CL
K families","SC: Serine (S) Peptidases","CA: Cysteine (C) Peptidases","CYP1 family",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","Prostaglandin synthases","Inositol monophosphatase","Lipid modifying k
inases","CYP3 family","ABCC subfamily","2.1.1.43 Histone methyltransferases (HMTs)","PA: Serine (S) Peptidases","SLC2 family of hexose and sugar alcohol transporters",Atypical,"Orphan and other 7TM re
ceptors","ME: Metallo (M) Peptidases","PB: Threonine (T) Peptidases","Coronavirus (CoV) proteins","PIM family","Myosin Light Chain Kinase (MLCK) family","TK: Tyrosine kinase","A1: Pepsin","C14: Caspas
e","Death-associated kinase (DAPK) family","Cyclin-dependent kinase (CDK) family","S9: Prolyl oligopeptidase","C19: Ubiquitin-specific protease",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"
,"Other protein kinases","TKL: Tyrosine kinase-like","CAMK-unique family","Mitogen-activated protein kinases (MAP kinases)","S1: Chymotrypsin","Class I transporters","Phosphatidyl inositol 3' kinase-r
elated kinases (PIKK) family","Class A Orphans","M16: Pitrilysin","T1: Proteasome","Non-receptor tyrosine kinases (nRTKs)","CDK5 subfamily","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) fami
ly","RAF family","JNK subfamily","p38 subfamily","FRAP subfamily","Syk family","Type II RTKs: Insulin receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Immune System",Metabolism,Disease,"Signal Transduction",Hemostasis,"DNA Repair","Neuronal System","Metabolism of RNA","Metabolism of proteins","Gene expression (Transcription)","Programmed Cell Deat
h","Cell Cycle","Cellular responses to external stimuli","Developmental Biology","Transport of small molecules","Cytokine Signaling in Immune system","Inositol phosphate metabolism","Infectious diseas
e","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Rho GTPases","Metabolism of lipids","Metabolism of amino acids and derivatives","Platelet activation
","signaling and aggregation","Base Excision Repair","DNA Double-Strand Break Repair","Transmission across Chemical Synapses","Biological oxidations","mRNA Editing","Post-translational protein modific
ation","The citric acid (TCA) cycle and respiratory electron transport","Amyloid fiber formation","RNA Polymerase II Transcription",Apoptosis,Mitotic,"Peptide hormone metabolism","Intracellular signal
ing by second messengers","Signaling by Receptor Tyrosine Kinases","Innate Immune System","Cellular responses to stress","Nervous system development","Metabolism of vitamins and cofactors","Disorders 
of transmembrane transporters","Metabolism of nucleotides","Signaling by GPCR","SLC-mediated transmembrane transport","Interferon Signaling","Synthesis of IPs in the nucleus","SARS-CoV Infections","FL
T3 signaling in disease","RHO GTPase Effectors","Phospholipid metabolism","Branched-chain amino acid catabolism","Platelet Aggregation (Plug Formation)","Resolution of Abasic Sites (AP sites)","Nonhom
ologous End-Joining (NHEJ)","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","mR
NA Editing: C to U Conversion","Fatty acid metabolism","Post-translational modification: synthesis of GPI-anchored proteins","Pyruvate metabolism and Citric Acid (TCA) cycle","Leishmania infection","G
eneric Transcription Pathway","Caspase activation via extrinsic apoptotic signalling pathway","Mitotic G1 phase and G1/S transition","Incretin synthesis",secretion,"and inactivation","Uptake and actio
ns of bacterial toxins","Homology Directed Repair","Metabolism of steroids","PIP3 activates AKT signaling","Synthesis of IP2",IP,"and Ins in the cytosol","HIV Infection","M Phase","Signaling by Insuli
n receptor","Toll-like Receptor Cascades","Selenoamino acid metabolism","Signaling by NTRKs","Cellular response to hypoxia","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Metabolism
 of water-soluble vitamins and cofactors","ABC transporter disorders","Nucleobase catabolism","Influenza Infection","Mitotic G2-G2/M phases","SLC transporter disorders","GPCR ligand binding",Deubiquit
ination,"Regulation of mitotic cell cycle","Cellular hexose transport","Intrinsic Pathway for Apoptosis","Interferon alpha/beta signaling","SARS-CoV-2 Infection","Signaling by FLT3 ITD and TKD mutants
","RHO GTPases activate PAKs","Glycerophospholipid biosynthesis","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Activation of NMDA receptors and postsynaptic events","
Biosynthesis of DPA-derived SPMs","Cytochrome P450 - arranged by substrate type","Formation of the Editosome","Fatty acyl-CoA biosynthesis","Pyruvate metabolism","Leishmania parasite growth and surviv
al","Transcriptional Regulation by TP53","Caspase activation via Dependence Receptors in the absence of ligand","G0 and Early G1","Ethanol oxidation",Synthesis,"and inactivation of Glucagon-like Pepti
de-1 (GLP-1)","Uptake and function of anthrax toxins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Metabolism of steroid hormones","Negative regulation of the PI3K/AK
T network","Biosynthesis of DHA-derived SPMs","Host Interactions of HIV factors","PI Metabolism","Mitotic Metaphase and Anaphase","Insulin receptor signalling cascade","Toll Like Receptor 5 (TLR5) Cas
cade","Metabolism of ingested SeMet",Sec,"MeSec into H2Se","Signaling by NTRK1 (TRKA)","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Nicotinate metabolism","Transcription
al Regulation by MECP2","Defective ABCC2 causes DJS","Purine catabolism","Arachidonic acid metabolism","Transcriptional regulation by RUNX1","HIV Life Cycle","Cobalamin (Cbl","vitamin B12) transport a
nd metabolism","Virus Assembly and Release","G2/M Transition","Defective SLC2A2 causes Fanconi-Bickel syndrome (FBS)","Class A/1 (Rhodopsin-like receptors)","Ub-specific processing proteases","APC/C-m
ediated degradation of cell cycle proteins","Apoptotic factor-mediated response","SARS-CoV-2 Genome Replication and Transcription","STAT5 activation downstream of FLT3 ITD mutants","Synthesis of PC","
PCNA-Dependent Long Patch Base Excision Repair","Post NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Synthesis of very long-chain fatty acyl-CoAs","Anti-inflammatory respo
nse favouring Leishmania parasite infection","TP53 Regulates Transcription of Cell Death Genes","Transcription of E2F targets under negative control by DREAM complex","Regulation of TP53 Activity","HD
R through Homologous Recombination (HRR)","Synthesis of PA","Pregnenolone biosynthesis","Endogenous sterols",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Biosynthesis of D-series resolvins","APOB
EC3G mediated resistance to HIV-1 infection","Synthesis of PIPs at the plasma membrane","Mitotic Anaphase","IRS-mediated signalling","MyD88 cascade initiated on plasma membrane","Signalling to ERKs","
Biosynthesis of maresins","Regulation of MECP2 expression and activity","Synthesis of Leukotrienes (LT) and Eoxins (EX)","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet f
unction","Early Phase of HIV Life Cycle","Assembly of Viral Components at the Budding Site","The role of GTSE1 in G2/M progression after G2 checkpoint","Activation of APC/C and APC/C:Cdc20 mediated de
gradation of mitotic proteins","Cytochrome c-mediated apoptotic response","Replication of the SARS-CoV-2 genome","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins an
d resolvins","CYP2E1 reactions","FCGR3A-mediated IL10 synthesis","TP53 Regulates Transcription of Caspase Activators and Caspases","Regulation of TP53 Activity through Phosphorylation","Homologous DNA
 Pairing and Strand Exchange","Regulation of TP53 Expression and Degradation","Separation of Sister Chromatids","PI3K Cascade","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","
Prolonged ERK activation events","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP kinase activation","Biosynthesis of DPAn-3-derived maresins
","Regulation of TP53 Activity through Methylation","Integration of provirus","Transport of HA trimer","NA tetramer and M2 tetramer from the endoplasmic reticulum to the Golgi Apparatus","APC/C:Cdc20 
mediated degradation of mitotic proteins","Activation of caspases through apoptosome-mediated cleavage","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradatio
n","ARMS-mediated activation","MAPK targets/ Nuclear events mediated by MAP kinases","2-LTR circle formation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cy
cle checkpoint","Activation of the AP-1 family of transcription factors","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{PIK3CG}

> <broad_moa>
{"androgen receptor agonist","cytochrome P450 inhibitor"}

> <synonyms>
{myricetin,529-44-2,529442,Cannabiscetin,Myricetol,"3,5,7-Trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one","3,5,7Trihydroxy2(3,4,5trihydroxyphenyl)4Hchromen4one",Myricitin,"3,3',4',5,5',7-Hexah
ydroxyflavone","3,3',4',5,5',7Hexahydroxyflavone","3,5,7,3',4',5'-Hexahydroxyflavone","3,5,7,3',4',5'Hexahydroxyflavone","3,3',4,4',5',7-Hexahydro-2-phenyl-4H-chromen-4-one","3,3',4,4',5',7Hexahydro2p
henyl4Hchromen4one",UNII-76X,UNII76X,T0579,S2326,Myricetin}

> <pdid>
PD002690

> <targets>
{MEK,Others}

> <classes>
{Others}

> <pubchem_cids>
{5281672}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 37  0  0  1  0            999 V2000
    2.5800    0.0305    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2638   -2.2496    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -4.7631   -0.2500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -6.4952   -3.7500    0.0000 C   0  0  1  0  0  0
   -5.1961   -4.5000    0.0000 C   0  0
   -6.4952   -5.2500    0.0000 C   0  0
   -7.7942   -6.0000    0.0000 C   0  0
   -9.0933   -5.2500    0.0000 C   0  0
  -10.3923   -6.0000    0.0000 O   0  0
   -9.0933   -3.7500    0.0000 C   0  0
   -9.0579   -2.2505    0.0000 C   0  0
  -10.3743   -4.5303    0.0000 C   0  0
   -7.7942   -3.0000    0.0000 C   0  0
   -7.7942   -1.5000    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0  1  0  0  0
   -5.1962   -0.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2947    3.7531    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  1
  9 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24 15  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27  9  1  0
 27 14  1  0
 27 28  1  6
 11 29  1  0
 29  6  1  0
 29 30  1  0
 30  2  1  0
  5 31  1  0
 31 32  2  0
 31 33  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15352

> <plate>
PLATE 001

> <well>
F8

> <supplier_cmpd_name>
Oleanolic Acid

> <ctcr_id>
7816

> <supplier_cmpd_id>
T2865

> <smiles>
CC1(C)CC(C2CC[C@]3(C)C(=CCC4[C@@]5(C)CCC(O)C(C)(C)C5CC[C@@]34C)C2C1)C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{S2334,"Oleanolic Acid"}

> <pdid>
PD021616

> <targets>
{Autophagy,Endogenous Metabolite,HIV}

> <classes>
{Anti-infection,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{135391162}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 10  9  0  0  0  0            999 V2000
    6.5000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000   -1.5000    0.0000 O   0  0
    7.7992    0.0004    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  3  8  1  0
  2  9  1  0
  1 10  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15353

> <plate>
PLATE 001

> <well>
F9

> <supplier_cmpd_name>
Xylitol

> <ctcr_id>
7522

> <supplier_cmpd_id>
T0589

> <smiles>
C(C(C(C(CO)O)O)O)O

> <pd_targets>
{L3MBTL1,LMNA,RORC}

> <pathway_gtopdb>
{"Epigenetic regulator","Other nuclear protein",Reader,"Methyl-lysine/arginine binding protein","MBT domain","Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear h
ormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","RNA Polymerase II Transcription",Mitotic,"Generic Transcription Pathway","M Phase","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase
","Regulation of TP53 Activity","Mitotic Anaphase","Regulation of TP53 Activity through Methylation","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation","Transcription
al regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{}

> <broad_moa>
{"mucolytic agent"}

> <synonyms>
{xylitol,ribitol,adonitol,87-99-0,87990,Xylite,488-81-3,488813,D-Xylitol,DXylitol,Adonite,Adonit,D-ribitol,Dribitol,Eutrit,Klinit,Xyliton,Xylit,"Xylite (sugar)",Kannit,Newtol,"1,2,3,4,5-pentanepentol"
,"1,2,3,4,5pentanepentol",Xylisorb,L-ribitol,Lribitol,"(2R,3R,4S)-Pentane-1,2,3,4,5-pentaol","(2R,3R,4S)Pentane1,2,3,4,5pentaol",(2R,3S,4S)-Pentane,4S)Pentane,S2612,Ribitol}

> <pdid>
PD000463

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{6912}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8983    0.7459    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000    3.0008    0.0000 S   0  0
   -1.2993    3.7504    0.0000 N   0  0
    1.2985    3.7517    0.0000 O   0  0
   -0.0007    4.5008    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  2  0
 10  3  1  0
 10 11  1  0
  5 12  1  0
 12 13  1  0
 12 14  2  0
 12 15  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15354

> <plate>
PLATE 001

> <well>
F10

> <supplier_cmpd_name>
Sulfanilamide

> <ctcr_id>
1592

> <supplier_cmpd_id>
T0123

> <smiles>
COc1cc(c(OC)cc1N)[S](N)(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{54179101,"54179 10 1","4-amino-2,5-dimethoxybenzenesulfonamide","4amino2,5dimethoxybenzenesulfonamide","4 amino 2,5 dimethoxybenzenesulfonamide","4-amino-2,5-dimethoxybenzene-1-sulfonamide","4amino2,
5dimethoxybenzene1sulfonamide","4 amino 2,5 dimethoxybenzene 1 sulfonamide","4-Amino-2,5-dimethoxybenzenesulphonamide","4Amino2,5dimethoxybenzenesulphonamide","4 Amino 2,5 dimethoxybenzenesulphonamide
","2,5-dimethoxysulfanilamide","2,5dimethoxysulfanilamide","2,5 dimethoxysulfanilamide",MLS000736889,NSC89723,"EINECS 259-016-3","EINECS 2590163","EINECS 259 016 3",SCHEMBL8777777,Sulfanilamide,2,"NSC
 89723"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{96827}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 38 39  0  0  1  0            999 V2000
   -6.4717  -14.5676    0.0000 C   0  0
   -6.0099  -13.1405    0.0000 C   0  0
   -4.5425  -12.8257    0.0000 N   0  0
   -3.5342  -13.9374    0.0000 C   0  0
   -2.0679  -13.6212    0.0000 C   0  0
   -4.0804  -11.3978    0.0000 C   0  0
   -2.6130  -11.0830    0.0000 C   0  0
   -2.1509   -9.6551    0.0000 N   0  0
   -0.6835   -9.3403    0.0000 C   0  0
    0.3219  -10.4535    0.0000 O   0  0
   -0.2222   -7.9149    0.0000 C   0  0
    1.2028   -7.4466    0.0000 C   0  0
    2.4192   -8.3243    0.0000 C   0  0
    1.1979   -5.9466    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 O   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.1079   -6.7042    0.0000 C   0  0
   -2.6079   -6.7003    0.0000 C   0  0
    8.9536   -4.6590    0.0000 O   0  0
    8.9536   -6.1590    0.0000 C   0  0  1  0  0  0
    7.6536   -6.9090    0.0000 C   0  0
    6.3536   -6.1590    0.0000 C   0  0
    6.3536   -4.6590    0.0000 O   0  0
    5.0543   -6.9086    0.0000 O   0  0
   10.2536   -6.9090    0.0000 C   0  0
   10.2536   -8.4090    0.0000 O   0  0
   11.5529   -6.1594    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 17  1  0
 27 21  1  0
 15 28  2  0
 28 11  1  0
 28 29  1  0
 31 30  1  6
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 31 36  1  0
 36 37  1  0
 36 38  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15355

> <plate>
PLATE 001

> <well>
F11

> <supplier_cmpd_name>
Sunitinib

> <ctcr_id>
7456

> <supplier_cmpd_id>
T0374L

> <smiles>
CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C.O[C@@H](CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Sunitinib malate",341031-54-7,341031547,Sutent,"SU011248 L-malate salt","SU011248 Lmalate salt",PHA-290940AD,PHA290940AD,UNII-LVX8N1UT73,UNIILVX8N1UT73,SU010398,"SU 011248",SU-11248,SU11248,LVX8N1UT
73,"SU-011248 L-malate salt",SU011248,MFCD08282795,SU-010398,"SU 11248","Sunitinib malate (USAN)","PDGF TK antagonist",S1042,sunitinib,"Sunitinib Malate"}

> <pdid>

> <targets>
{VEGFR-PDGFR,c-Kit,Flt,VEGFR,PDGFR}

> <classes>
{}

> <pubchem_cids>
{6456015}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 45 49  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.6051   -5.9945    0.0000 N   0  3
    2.6101   -7.4945    0.0000 O   0  5
    3.9019   -5.2406    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -5.1894   -6.0109    0.0000 N   0  0
   -5.1894   -7.5110    0.0000 C   0  0
   -6.4884   -8.2610    0.0000 C   0  0
   -7.7875   -7.5110    0.0000 N   0  0
   -7.7875   -6.0110    0.0000 C   0  0
   -6.4885   -5.2610    0.0000 C   0  0
   -9.0882   -8.2597    0.0000 C   0  0
  -10.3867   -7.5071    0.0000 C   0  0
  -10.3874   -6.0071    0.0000 C   0  0
  -11.6867   -5.2576    0.0000 C   0  0
  -12.9855   -6.0081    0.0000 C   0  0
  -12.9849   -7.5081    0.0000 C   0  0
  -11.6855   -8.2576    0.0000 C   0  0
   -9.0897   -9.7605    0.0000 C   0  0
   -7.7930  -10.5146    0.0000 C   0  0
   -7.7975  -12.0145    0.0000 C   0  0
   -9.0988  -12.7606    0.0000 C   0  0
  -10.3956  -12.0066    0.0000 C   0  0
  -10.3910  -10.5067    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11  5  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 10 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
 29 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 33  1  0
 32 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 44 39  1  0
  9 45  1  0
M  CHG  2  18   1  19  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15356

> <plate>
PLATE 001

> <well>
G2

> <supplier_cmpd_name>
Manidipine dihydrochloride

> <ctcr_id>
6604

> <supplier_cmpd_id>
T0193

> <smiles>
COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OCCN3CCN(CC3)C(c4ccccc4)c5ccccc5)C

> <pd_targets>
{RORC,ABCB1,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNA1A,CACNB1,CACNB2,CACNB3,CACNB4,CACNA1G,CACNA1H,CACNA1I}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,Transporter,"Ion channel","Nuclear receptor",Protease,"Primary active transporter","Voltage-gated ion channel","Nuclear hormone receptor subfamily 1","Cysteine protease"
,"ATP-binding cassette","Voltage-gated calcium channel","Nuclear hormone receptor subfamily 1 group F","Cysteine protease CA clan","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F member
 3","Cysteine protease C1A family"}

> <pathway_chembl>
{Receptors,Transporters,"Nuclear hormone receptors","ATP-binding cassette transporter family","1F. Retinoic acid-related orphans","ABCB subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"RNA Polymerase II Transcription","Abacavir transport and metabolism","Generic Transcription Pathway","Abacavir transmembrane transport","Transcriptional 
regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{CACNA1C,CACNA1D}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{manidipine,89226-50-6,89226506,120092-68-4,120092684,"Manidipine 6300",Artedil,Iperten,"Manidipine (INN)","Manidipine (Manyper)",C35H38N4O6,Franidipine,"CV 4093",CHEMBL312176,MFCD00871291,SMR00350079
3,NCGC00167493-01,NCGC0016749301,NCGC00167493-04,NCGC0016749304,"Manidipine 6300 (INN)",Arted,T0193,T6577,S2481,"Manidipine dihydrochloride",Manidipine}

> <pdid>
PD001137

> <targets>
{"Calcium Channel"}

> <classes>
{"Transmembrane Transporters"}

> <pubchem_cids>
{4008}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 25  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0  1  0  0  0
   -5.1962   -1.5000    0.0000 C   0  0  1  0  0  0
   -6.4952   -0.7500    0.0000 O   0  0
   -5.1961   -3.0000    0.0000 C   0  0  2  0  0  0
   -6.4952   -3.7500    0.0000 O   0  0
   -3.8971   -3.7500    0.0000 C   0  0  1  0  0  0
   -3.9002   -5.2509    0.0000 C   0  0
   -5.2003   -5.9990    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 11 10  1  6
 11 12  1  0
 12 13  1  6
 12 14  1  0
 14 15  1  1
 14 16  1  0
 16 17  1  6
 17 18  1  0
 16 19  1  0
 20 19  1  1
 20 11  1  0
 20 21  1  0
 21  7  1  0
 21 22  2  0
 22  3  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15357

> <plate>
PLATE 001

> <well>
G3

> <supplier_cmpd_name>
Bengenin

> <ctcr_id>
1582

> <supplier_cmpd_id>
T0122

> <smiles>
COc1c(O)cc2C(=O)O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3c2c1O

> <pd_targets>
{IL6,TNF}

> <pathway_gtopdb>
{"Secreted protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{Disease,"Immune System","Infectious disease","Cytokine Signaling in Immune system","Leishmania infection","Signaling by Interleukins","Leishmania parasite growth and survival","Interleukin-10 signali
ng","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{IL1B,TNF}

> <broad_moa>
{"interleukin inhibitor"}

> <synonyms>
{Spectrum_001129,Spectrum001129,Spectrum-001129,"Spectrum 001129",SpecPlus_000565,SpecPlus000565,SpecPlus-000565,"SpecPlus 000565",Spectrum2_000600,Spectrum2000600,Spectrum2-000600,"Spectrum2 000600",
Spectrum3_000623,Spectrum3000623,Spectrum3-000623,"Spectrum3 000623",Spectrum4_001880,Spectrum4001880,Spectrum4-001880,"Spectrum4 001880",Spectrum5_000480,Spectrum5000480,Spectrum5-000480,"Spectrum5 0
00480",BSPBio_002186,BSPBio002186,BSPBio-002186,"BSPBio 002186",KBioGR_002383,KBioGR002383,KBioGR-002383,"KBioGR 002383",KBioSS_001609,KBioSS001609,KBioSS-001609,"KBioSS 001609",DivK1c_006661,DivK1c00
6661,DivK1c-006661,"DivK1c 006661",SPECTRUM1500819,SPBio_000480,SPBio000480,SPBio-000480,"SPBio 000480",SCHEMBL17131822,CHEBI:95241,KBio1_001605,KBio1001605,KBio1-001605,"KBio1 001605",KBio2_001609,KB
io2001609,KBio2-001609,"KBio2 001609",KBio2_0,KBio20,KBio2-0,"KBio2 0",T0122,1500819,Bengenin,BERGENIN}

> <pdid>
PD001569

> <targets>
{Apoptosis,Autophagy,Bacterial,Fungal,Virus Protease}

> <classes>
{Anti-infection,Apoptosis,Autophagy}

> <pubchem_cids>
{6708706}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 33  0  0  0  0            999 V2000
    6.3990   -7.8767    0.0000 Cl  0  0
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0092   -6.0025    0.0000 O   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.9099   -8.2497    0.0000 C   0  0
   -3.9099   -9.7497    0.0000 C   0  0
   -2.6109  -10.4997    0.0000 N   0  0
   -2.6079  -12.0005    0.0000 C   0  0
   -1.3071  -12.7491    0.0000 C   0  0
   -0.0093  -11.9969    0.0000 O   0  0
   -1.3040  -14.2499    0.0000 N   0  0
   -0.0032  -14.9985    0.0000 C   0  0
    0.0020  -16.4985    0.0000 C   0  0
   -1.2944  -17.2531    0.0000 C   0  0
    1.3037  -17.2441    0.0000 C   0  0
    2.6001  -16.4896    0.0000 C   0  0
    2.5950  -14.9896    0.0000 C   0  0
    1.2933  -14.2441    0.0000 C   0  0
    1.2882  -12.7441    0.0000 C   0  0
   -1.3119   -9.7497    0.0000 C   0  0
   -1.3118   -8.2497    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 23  1  0
 29 30  1  0
 18 31  1  0
 31 32  1  0
 32 15  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15358

> <plate>
PLATE 001

> <well>
G4

> <supplier_cmpd_name>
Ranolazine dihydrochloride

> <ctcr_id>
1814

> <supplier_cmpd_id>
T0207

> <smiles>
Cl.COc1ccccc1OCC(O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2

> <pd_targets>
{BLM,NPSR1,PMP22,LMNA,SCN5A,KCNH2,SCN4A,SCN10A,SCN11A,SCN1A,SCN1B,SCN2A,SCN2B,SCN3A,SCN3B,SCN4B,SCN7A,SCN8A,SCN9A,KCNJ12,KCNJ14,KCNJ2,KCNJ4,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNB1,CACNB2,CACNB3,CACNB4,
ADRA1A,ADRA1B,ADRA1D,ADRB1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein","Other nuclear protein","Ion channel","Family A G protein-coupled receptor","Voltage-gated ion channel",Kinase,"Peptide receptor (family A GPCR)","Vo
ltage-gated sodium channel","Protein Kinase","Potassium channels","Small molecule receptor (family A GPCR)","Short peptide receptor (family A GPCR)","AGC protein kinase group","Voltage-gated potassium
 channel","Monoamine receptor","Neuropeptide receptor","AGC protein kinase PKC family","Adrenergic receptor","AGC protein kinase PKC iota subfamily"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Voltage-gated ion channels","Neuropeptide S receptor","Voltage-gated sodium channels","Potassium channels",Adrenoceptors,"Voltage-gated potassi
um channels"}

> <pathway_reactome>
{"DNA Repair",Disease,"Developmental Biology","Cell Cycle","Muscle contraction","DNA Double-Strand Break Repair","Infectious disease","Nervous system development",Mitotic,"Cardiac conduction","Homolog
y Directed Repair","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Axon guidance","Phase 3 - rapid repolarisation","HDR through Homologous Recombinat
ion (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","L1CAM interactions","HDR through Homologous Recombination (HRR)","Anti-inflammat
ory response favouring Leishmania parasite infection","Mitotic Anaphase","Interaction between L1 and Ankyrins","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammatory cytokine
s production","Nuclear Envelope (NE) Reassembly","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SCN10A,SCN9A}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{SMR000326795,MLS000859934,MLS001401403,SCHEMBL612077,CHEMBL537649,CCG-100990,CCG100990,NC00240,T0207,SAM001246534,"Ranolazine dihydrochloride",CPD000326795}

> <pdid>
PD010150

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{23581790}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 S   0  0
    1.2993   -3.7504    0.0000 N   0  0
   -1.2986   -3.7517    0.0000 O   0  0
    0.0007   -4.5008    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  8 11  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15359

> <plate>
PLATE 001

> <well>
G5

> <supplier_cmpd_name>
2-Aminobenzenesulfonamide

> <ctcr_id>
1473

> <supplier_cmpd_id>
T2187

> <smiles>
Nc1ccccc1[S](N)(=O)=O

> <pd_targets>
{CA1,CA2,CA9,CA4,CA6,MTCA2,CA5A,CA13,CYNT,NCE103,MTCA1,CA14,CA5B,CA12,CA7,CA15,AMPC}

> <pathway_gtopdb>
{Enzyme,Lyase,Hydrolase}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases"}

> <pathway_reactome>
{"Immune System","Transport of small molecules","Cellular responses to external stimuli",Metabolism,"Cytokine Signaling in Immune system","O2/CO2 exchange in erythrocytes","Cellular responses to stres
s","Reversible hydration of carbon dioxide","Signaling by Interleukins","Erythrocytes take up carbon dioxide and release oxygen","Cellular response to hypoxia","Interleukin-12 family signaling","Regul
ation of gene expression by Hypoxia-inducible Factor","Interleukin-12 signaling","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation"}

> <broad_targets>
{CA12,CA14,CA2,CA6,CA9}

> <broad_moa>
{"carbonic anhydrase inhibitor"}

> <synonyms>
{RESTW91,2-Aminobenzenesulfonamide,2Aminobenzenesulfonamide,3306-62-5,3306625,Orthanilamide,o-Aminobenzenesulfonamide,oAminobenzenesulfonamide,o-Sulfanilamide,oSulfanilamide,"Benzenesulfonamide, 2-ami
no-","Benzenesulfonamide, 2amino",2-Amino-benzenesulfonamide,"Benzenesulfonamide, o-amino-","Benzenesulfonamide, oamino",MFCD00007932,2-aminobenzene-1-sulfonamide,2aminobenzene1sulfonamide,CHEMBL6705,
o-Aminoben,oAminoben,T2187,Prestw-913}

> <pdid>
PD000695

> <targets>
{Carbonic Anhydrase}

> <classes>
{Metabolic Enzyme/Protease}

> <pubchem_cids>
{72894}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 23  0  0  0  0            999 V2000
   11.4915   -1.5060    0.0000 H   0  3
    8.9915   -1.5060    0.0000 Cl  0  5
   -2.6041   -2.9866    0.0000 C   0  0
   -1.3074   -3.7406    0.0000 N   0  0
   -0.0048   -2.9950    0.0000 C   0  0
    1.2926   -3.7495    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5030    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -2.5998    3.0004    0.0000 F   0  0
   -3.8976    0.7500    0.0000 F   0  0
   -3.8982    2.2498    0.0000 F   0  0
    3.8934   -3.7569    0.0000 C   0  0
    5.1961   -3.0132    0.0000 C   0  0
    6.4915   -3.7695    0.0000 C   0  0
    6.4843   -5.2694    0.0000 C   0  0
    5.1817   -6.0132    0.0000 C   0  0
    3.8862   -5.2570    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
  7 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15360

> <plate>
PLATE 001

> <well>
G6

> <supplier_cmpd_name>
Fluoxetine hydrochloride

> <ctcr_id>
5037

> <supplier_cmpd_id>
T0450L

> <smiles>
[H+].[Cl-].CNCCC(Oc1ccc(cc1)C(F)(F)F)c2ccccc2

> <pd_targets>
{SLC6A4,ACHE,HTT,CYP2C19,ADRA1A,ADRA1B,ADRA1D,SLC6A3,ALB,HRH3,SLC6A2,HTR1A,HTR1B,HTR1D,HTR1F,KCNH2,KCNJ6,HTR2C,SLC29A4,NET,LMNA,SIGMAR1,HTR2B,ADRA2A,ADRA2B,ADRA2C,HTR2A,KCNC1,HTR6,KMT2A,MEN1,FTL,PMP22
,HPGD,GMNN,CYP3A4,CHRM5,KCNK2,MTOR,CHRM3,CACNA1C,CYP2D6,CHRM1,ANO1,CHRNA2,CHRNA3,CHRNB4,APEX1,AMPC,ALDH1A1,KDM4E,LEF,RORC,TP53,TSHR,CYP2C9,CYP1A2,NFKB1,ALOX15,THPO,HRH1,MAPK1,ARRB2}

> <pathway_gtopdb>
{Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC06 neurotransmitter transporter family",Enzyme,"Unclassified protein","Membrane receptor","Secreted protein","Ion ch
annel","Other nuclear protein","Epigenetic regulator",Hydrolase,"Cytochrome P450","Family A G protein-coupled receptor","Voltage-gated ion channel",Reader,Kinase,"Other ion channel","Ligand-gated ion 
channel","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Potassium channels",Bromodomain,"Cytochrome P450 family 3","Protein Kinase","Voltage-gated calcium channel","Chloride cha
nnel","Nicotinic acetylcholine receptor","Cytochrome P450 family 2C","Monoamine receptor","Voltage-gated potassium channel","Inwardly rectifying potassium channel","SLC28 and SLC29 families of nucleos
ide transporters","Cytochrome P450 family 3A","Two-pore domain potassium channel","Atypical protein kinase group","Cytochrome P450 family 2D","Calcium-activated chloride channel","Nicotinic acetylchol
ine receptor alpha subunit","Nicotinic acetylcholine receptor beta subunit","Cytochrome P450 2C19","Adrenergic receptor","Histamine receptor","Serotonin receptor","SLC29 Facilitative nucleoside transp
orter family","Cytochrome P450 3A4","Acetylcholine receptor","Atypical protein kinase PIKK family","Cytochrome P450 2D6","Atypical protein kinase FRAP subfamily","Transcription factor","Other cytosoli
c protein",Oxidoreductase,Eraser,Protease,"Nuclear receptor","Lysine demethylase","Metallo protease","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Cytochrome P450 family 1
","Jumonji domain-containing","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","Glycohormone receptor","Cytochrome P450 family 1A","CMGC protein kinase group","Metallo protea
se M34 family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C9","Cytochrome P450 1A1","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC6 neurotransmitter transporter family","Monoamine transporter subfamily",Enzymes,Receptors,"Ion channels","Other protein targets","Acetylcholine 
turnover","Cytochrome P450","G protein-coupled receptors","Voltage-gated ion channels","Sigma receptors","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Other ion channels","Ligand-gated ion channels","
CYP2 family: drug metabolising subset","Histamine receptors","Potassium channels","5-Hydroxytryptamine receptors","SLC28 and SLC29 families of nucleoside transporters","Prostaglandin synthases","CYP3 
family",Adrenoceptors,"Acetylcholine receptors (muscarinic)",Atypical,"Voltage-gated calcium channels","Chloride channels","Nicotinic acetylcholine receptors","Voltage-gated potassium channels","Inwar
dly rectifying potassium channels","SLC29 family","Two P domain potassium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Calcium activated chloride channel","FRAP subfamily
","Chromatin modifying enzymes","Nuclear hormone receptors","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","Glycoprotein hormone receptors","CYP1 family",Lipoxygenases,"CMGC: Con
taining CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter clearance","Serotonin clearance from the synaptic cleft",Metabolism,"Gene expression (Transcription)",Disease,"Signal Trans
duction","Muscle contraction","Transport of small molecules","Cell Cycle","Vesicle-mediated transport","Developmental Biology","Metabolism of lipids","RNA Polymerase II Transcription","Biological oxid
ations","Disorders of transmembrane transporters","Signaling by GPCR","Cardiac conduction","SLC-mediated transmembrane transport",Mitotic,"Infectious disease","Potassium Channels","Membrane Traffickin
g","Nervous system development","Ion channel transport","Phospholipid metabolism","Generic Transcription Pathway","Phase I - Functionalization of compounds","SLC transporter disorders","Metabolism of 
steroids","GPCR ligand binding","Phase 3 - rapid repolarisation","Neurotransmitter receptors and postsynaptic signal transmission","Transport of vitamins",nucleosides,"and related molecules","M Phase"
,"SARS-CoV Infections","Voltage gated Potassium channels","Leishmania infection","trans-Golgi Network Vesicle Budding","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Biosynthesis of
 specialized proresolving mediators (SPMs)","Mitotic G1 phase and G1/S transition","Tandem pore domain potassium channels","Axon guidance","Stimuli-sensing channels","Glycerophospholipid biosynthesis"
,"Transcriptional Regulation by MECP2","Cytochrome P450 - arranged by substrate type","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Bile acid and bile salt metabolism","Class A/1 
(Rhodopsin-like receptors)","Defective SLC6A2 causes orthostatic intolerance (OI)","GABA receptor activation","Transport of nucleosides and free purine and pyrimidine bases across the plasma membrane"
,"Mitotic Metaphase and Anaphase","Potential therapeutics for SARS","Leishmania parasite growth and survival","Golgi Associated Vesicle Biogenesis","Biosynthesis of DHA-derived SPMs","G1/S Transition"
,"TWIK related potassium channel (TREK)","Transcriptional Regulation by TP53","NCAM signaling for neurite out-growth","Acetylcholine binding and downstream events","Synthesis of PC","Regulation of MEC
P2 expression and activity",Xenobiotics,"Recycling of bile acids and salts","Amine ligand-binding receptors","GABA B receptor activation","Mitotic Anaphase","Anti-inflammatory response favouring Leish
mania parasite infection","Biosynthesis of D-series resolvins","Activation of the pre-replicative complex","Biosynthesis of maresins","Regulation of TP53 Activity","NCAM1 interactions","Postsynaptic n
icotinic acetylcholine receptors","CYP2E1 reactions","Histamine receptors","Activation of GABAB receptors","Serotonin receptors","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory 
cytokines production","Biosynthesis of maresin-like SPMs",Adrenoceptors,"Muscarinic acetylcholine receptors","Regulation of TP53 Expression and Degradation","Highly calcium permeable postsynaptic nico
tinic acetylcholine receptors","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","DNA Repair","Im
mune System",Hemostasis,"Base Excision Repair","Cell Cycle Checkpoints","Cytokine Signaling in Immune system","Platelet activation","signaling and aggregation","Innate Immune System","Resolution of Ab
asic Sites (AP sites)","Uptake and actions of bacterial toxins","G1/S DNA Damage Checkpoints","Signaling by Interleukins","Platelet Aggregation (Plug Formation)","Toll-like Receptor Cascades","Resolut
ion of AP sites via the multiple-nucleotide patch replacement pathway","Ethanol oxidation","Uptake and function of anthrax toxins","Transcriptional regulation by RUNX3","p53-Dependent G1/S DNA damage 
checkpoint","Interleukin-1 family signaling","Biosynthesis of DPA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","PCNA-Dependent Long Patch Base Excision Repair","RUNX3 Regulates Immune Response 
and Cell Migration","p53-Dependent G1 DNA Damage Response","Interleukin-1 signaling","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","Stabilization of p53","Aromatic amines 
can be N-hydroxylated or N-dealkylated by CYP1A2","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived protectins and resolvins","MAP kinase activation","Autodegradation of the
 E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ANO1,HTR2B,SLC6A4}

> <broad_moa>
{"selective serotonin reuptake inhibitor (SSRI)"}

> <synonyms>
{"FLUOXETINE HYDROCHLORIDE",56296-78-7,56296787,"Fluoxetine Hcl",Prozac,59333-67-4,59333674,Sarafem,"Fluoxetine (hydrochloride)",Fluoxeren,Adofen,Fluctin,Lovan,Fluctine,Fluoxac,Fludac,Fluxil,Fontex,"L
Y 110140",LY-110140,LY110140,MFCD00214288,Reconcile,Self,T0450,T0450L,S1333,SAM002589965,1504173,Prestw-511,Fluoxetine,"Fluoxetine hydrochloride","Fluoxetine HCl",CPD000058452,FLUOXETINE}

> <pdid>
PD004343

> <targets>
{"5-HT Receptor"}

> <classes>
{antidepressant,"Neuronal Signaling"}

> <pubchem_cids>
{62857,657320,11824156}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 41 44  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0  2  0  0  0
    1.3092    5.2494    0.0000 C   0  0  1  0  0  0
    0.0127    6.0039    0.0000 O   0  0
    2.6108    5.9949    0.0000 C   0  0  2  0  0  0
    2.6160    7.4949    0.0000 O   0  0
    3.9072    5.2405    0.0000 C   0  0  1  0  0  0
    5.2080    5.9891    0.0000 C   0  0
    5.2111    7.4890    0.0000 O   0  0
    3.9020    3.7405    0.0000 O   0  0
    2.6004    2.9949    0.0000 C   0  0  1  0  0  0
    2.5984    1.4941    0.0000 O   0  0
    3.8966    0.7411    0.0000 C   0  0
    3.8968   -0.7589    0.0000 C   0  0
    5.1959   -1.5089    0.0000 C   0  0
    5.1959   -3.0089    0.0000 O   0  0
    6.4949   -0.7588    0.0000 C   0  0
    7.7962   -1.5065    0.0000 C   0  0
    7.7989   -3.0065    0.0000 O   0  0
    9.0948   -0.7542    0.0000 C   0  0
   10.3962   -1.5019    0.0000 C   0  0
   11.6948   -0.7495    0.0000 C   0  0
   12.9966   -1.4949    0.0000 C   0  0
   14.2930   -0.7404    0.0000 C   0  0
   14.2877    0.7596    0.0000 C   0  0
   15.5841    1.5141    0.0000 O   0  0
   12.9860    1.5051    0.0000 C   0  0
   11.6896    0.7505    0.0000 C   0  0
    6.4948    0.7412    0.0000 C   0  0
    7.7938    1.4912    0.0000 O   0  0
    5.1957    1.4911    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  6
  6  5  1  6
  6  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  1
 12 13  1  0
 11 14  1  0
 14 15  1  0
 15  6  1  0
 15 16  1  1
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 26  1  0
 21 33  1  0
 33 34  1  0
 33 35  2  0
 35 17  1  0
  4 36  1  0
 36 37  1  1
 36 38  1  0
 38 39  1  1
 38 40  1  0
 40  2  1  0
 40 41  1  6
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15361

> <plate>
PLATE 001

> <well>
G7

> <supplier_cmpd_name>
Naringin

> <ctcr_id>
7493

> <supplier_cmpd_id>
T0595

> <smiles>
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c(C(=O)CCc4ccc(O)cc4)c(O)c3)[C@H](O)[C@H](O)[C@H]1O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"cytochrome P450 inhibitor"}

> <synonyms>
{"naringin dihydrochalcone",18916-17-1,18916171,UNII-7233QDO0QW,UNII7233QDO0QW,7233QDO0QW,"FEMA no. 4495",naringin-dihydrochalcone,naringindihydrochalcone,"EC 700-320-7","EC 7003207",SCHEMBL3119273,"P
hloretin, 4'-(2-O-alpha-L-rhamno-beta-D-glucopyranoside)","Phloretin, 4'(2OalphaLrhamnobetaDglucopyranoside)",HY-N0119,HYN0119,"naringin dihydrochalco",S2389,"Naringin Dihydrochalcone",Naringin}

> <pdid>
PD021641

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{9894584}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 10 10  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 N   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15362

> <plate>
PLATE 001

> <well>
G8

> <supplier_cmpd_name>
Isoniazid

> <ctcr_id>
2919

> <supplier_cmpd_id>
T0972

> <smiles>
NNC(=O)c1ccncc1

> <pd_targets>
{FOLA,CYP3A4,CYP2D6,CYP1A2,MPO,CYP2C19,MYMA,FFP,CYP2A6,RORC,INHA,KATG}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Oxidoreductase,"Cytochrome P450",Transferase,"Nuclear receptor","Cytochrome P450 family 3","Cytochrome P450 family 2","Cytochrome P450 family 1","Nuclear hormone recepto
r subfamily 1","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Cytochrome P450 family 2C","Cytochrome P450 family 2A","Nuclear hormone receptor subfamily 1 group F
","Cytochrome P450 3A4","Cytochrome P450 2D6","Cytochrome P450 1A1","Cytochrome P450 2C19","Cytochrome P450 2A6","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","1.-.-.- Oxidoreductases","Nuclear hormone receptors","CYP3 family","CYP2 family: drug metabolising subset","CYP1 family","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{Metabolism,"Immune System","Gene expression (Transcription)",Disease,"Metabolism of lipids","Biological oxidations","Innate Immune System","RNA Polymerase II Transcription","Infectious disease","Bios
ynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","ROS and RNS production in phagocytes","Generic Transcription Pathway","Infection with Mycobacterium t
uberculosis","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Events associated with phagocytolytic activity of PMN cells","Transcriptional regulation by RUNX3","Late
nt infection - Other responses of Mtb to phagocytosis","Biosynthesis of maresins",Xenobiotics,"RUNX3 Regulates Immune Response and Cell Migration","Tolerance of reactive oxygen produced by macrophages
","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{CYP1A2,CYP2C19,CYP2C8,CYP2E1,CYP3A4}

> <broad_moa>
{"FABI inhibitor"}

> <synonyms>
{54-85-3,54853,"Isonicotinic acid hydrazide",Isonicotinohydrazide,pyridine-4-carbohydrazide,pyridine4carbohydrazide,Isoniazide,Nydrazid,Rimifon,"Isonicotinic hydrazide",Laniazid,Isonicotinylhydrazine,
Andrazide,Cotinazin,Dinacrin,Hydrazid,Neoteben,Nicizina,Nicotibina,T0972,SAM002554904,1500355,Prestw-161,Isoniazid,CPD000059082,ISONIAZID}

> <pdid>
PD001926

> <targets>
{Antibiotic,Autophagy,Bacterial,Mitophagy}

> <classes>
{tuberculostatic,antibacterial,Anti-infection,Autophagy}

> <pubchem_cids>
{3767}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 45 47  0  0  1  0            999 V2000
   10.2876    2.6226    0.0000 Na  0  3
    7.7827    2.5211    0.0000 C   0  0
    7.7876    1.5211    0.0000 O   0  0
    6.4920    0.7636    0.0000 C   0  0  2  0  0  0
    5.1903    1.5091    0.0000 C   0  0  1  0  0  0
    5.1882    3.0099    0.0000 O   0  0
    6.4865    3.7630    0.0000 C   0  0
    7.3533    3.2645    0.0000 N   0  0
    6.4844    5.2630    0.0000 O   0  0
    3.8939    0.7546    0.0000 C   0  0  1  0  0  0
    2.5923    1.5001    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1984    1.4977    0.0000 N   0  0
   -6.4971    0.7454    0.0000 C   0  0
   -6.4945   -0.7546    0.0000 O   0  0
   -7.7984    1.4932    0.0000 C   0  0
   -9.0975    0.7432    0.0000 C   0  0
  -10.3966    1.4932    0.0000 C   0  0
  -10.3966    2.9932    0.0000 C   0  0
  -11.6957    3.7431    0.0000 O   0  5
   -9.0976    3.7432    0.0000 C   0  0
   -9.0945    5.2440    0.0000 C   0  0
   -7.7937    5.9926    0.0000 C   0  0
   -7.7907    7.4934    0.0000 C   0  0
   -6.4906    8.2416    0.0000 C   0  0
   -9.0885    8.2457    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    5.2007   -1.4909    0.0000 O   0  0
    6.4972   -0.7364    0.0000 C   0  0
    7.7754    0.0485    0.0000 C   0  0
    6.4671   -2.2361    0.0000 C   0  0
  2  3  1  0
  4  3  1  1
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  7  9  2  0
  5 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  1
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  3
 32 33  1  0
 32 34  1  0
 29 35  2  0
 35 24  1  0
 20 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 17  1  0
 39 40  2  0
 40 14  1  0
 40 41  1  0
 12 42  1  0
 42 43  1  0
 43  4  1  0
 43 44  1  0
 43 45  1  0
M  CHG  2   1   1  28  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15363

> <plate>
PLATE 001

> <well>
G9

> <supplier_cmpd_name>
Albamycinsodium

> <ctcr_id>
10992

> <supplier_cmpd_id>
T0974

> <smiles>
[Na+].CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccc([O-])c(CC=C(C)C)c4)c(=O)oc3c2C)OC1(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Cathomycin,"NOVOBIOCIN SODIUM",Albamycin,"Novobiocin (Sodium)",1476-53-5,1476535,"Novobiocin sodium (Albamycin)",HY-B0425A,HYB0425A,HMS3714H09,s2492,CCG-220834,CCG220834,SW199300-2,SW1993002,T0974,Al
bamycinsodium}

> <pdid>

> <targets>
{ABCG2,DNA gyrase,Bile salt export pump,Topo I,Antibiotic,Autophagy,Bacterial}

> <classes>
{DNA Damage/DNA Repair,Membrane transporter/Ion channel,Anti-infection,Autophagy}

> <pubchem_cids>
{54726514}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 37 39  0  0  1  0            999 V2000
    8.8990   -2.6202    0.0000 Cl  0  0
    6.3990   -2.6202    0.0000 Cl  0  0
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4944    3.7530    0.0000 O   0  0
   -6.4923    5.2530    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -6.4944    0.7469    0.0000 O   0  0
   -6.4922   -0.7531    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 N   0  0
   -3.9021   -3.7405    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -2.6160   -7.4949    0.0000 C   0  0
   -1.3195   -8.2494    0.0000 C   0  0
   -1.3278   -9.7502    0.0000 O   0  0
   -2.6305  -10.4939    0.0000 C   0  0
   -0.0179   -7.5039    0.0000 C   0  0
    1.2808   -8.2561    0.0000 O   0  0
    2.5814   -7.5087    0.0000 C   0  0
   -0.0127   -6.0039    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
  3  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 12 15  2  0
 15 16  1  0
 16 17  1  0
 15 18  1  0
 18 19  2  0
 19 10  1  0
 19 20  1  0
 20  7  1  0
 20 21  1  0
 21 22  1  0
 22  5  1  0
 22 23  1  1
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  2  0
 33 34  1  0
 34 35  1  0
 33 36  1  0
 36 37  2  0
 37 24  1  0
 37 28  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15364

> <plate>
PLATE 001

> <well>
G10

> <supplier_cmpd_name>
(+)-Emetine dihydrochloride hydrate

> <ctcr_id>
5675

> <supplier_cmpd_id>
T0982

> <smiles>
Cl.Cl.CC[C@H]1CN2CCc3cc(OC)c(OC)cc3C2C[C@@H]1CC4NCCc5cc(OC)c(OC)cc45

> <pd_targets>
{ADRA1A,ADRA1B,NR5A1,SLC2A1,REP,HT1,LMGT2,KMT2A,MEN1,RORC,KDM4E,LMNA,BLM,GMNN,PMP22,MAPK1,NPSR1,ADRA2C,MTOR,ADRA2A,EPAS1,HIF1A,RBBP9,ABCB1,HSF1,HTT,MAPT}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein","Transcription factor",Transporter,Enzyme,"Epigenetic regulator","Other nuclear protein","Other cytosolic protein","Family A G protein-coupled receptor","Nu
clear receptor","Electrochemical transporter",Reader,Eraser,Kinase,Hydrolase,"Primary active transporter","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 5","SLC superfam
ily of solute carriers",Bromodomain,"Nuclear hormone receptor subfamily 1","Lysine demethylase","Protein Kinase","Peptide receptor (family A GPCR)","ATP-binding cassette","Monoamine receptor","Nuclear
 hormone receptor subfamily 5 group A","SLC02 family of hexose and sugar alcohol transporters","Nuclear hormone receptor subfamily 1 group F","Jumonji domain-containing","CMGC protein kinase group","S
hort peptide receptor (family A GPCR)","Atypical protein kinase group","ABCB subfamily","Adrenergic receptor","Nuclear hormone receptor subfamily 5 group A member 1","Nuclear hormone receptor subfamil
y 1 group F member 3","CMGC protein kinase MAPK family","Neuropeptide receptor","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Transporters,"Other protein targets",Enzymes,"G protein-coupled receptors","Nuclear hormone receptors","SLC superfamily of solute carriers","Anti-infective targets","Chromatin modifying enz
ymes","Kinases (EC 2.7.x.x)","3.1.1.- Carboxylic Ester Hydrolases","ATP-binding cassette transporter family",Adrenoceptors,"5A. Fushi tarazu F1-like receptors","SLC2 family of hexose and sugar alcohol
 transporters","Viral protein targets","1F. Retinoic acid-related orphans","1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Neuropeptide S receptor",Atypical,"ABCB sub
family","Class I transporters","Coronavirus (CoV) proteins","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subf
amily"}

> <pathway_reactome>
{"Signal Transduction","Metabolism of proteins",Disease,"Gene expression (Transcription)","Cell Cycle","DNA Repair","Developmental Biology","Immune System",Metabolism,"Cellular responses to external s
timuli","Neuronal System","Signaling by GPCR","Post-translational protein modification","Disorders of transmembrane transporters","Infectious disease","RNA Polymerase II Transcription",Mitotic,"DNA Do
uble-Strand Break Repair","Nervous system development","Innate Immune System","Abacavir transport and metabolism","Cellular responses to stress","Transmission across Chemical Synapses","GPCR ligand bi
nding",SUMOylation,"SLC transporter disorders","SARS-CoV Infections","Generic Transcription Pathway","M Phase","Homology Directed Repair","Mitotic G1 phase and G1/S transition","EGR2 and SOX10-mediate
d initiation of Schwann cell myelination","Toll-like Receptor Cascades","Leishmania infection","Abacavir transmembrane transport","Cellular response to heat stress","Neurotransmitter receptors and pos
tsynaptic signal transmission","Class A/1 (Rhodopsin-like receptors)","SUMO E3 ligases SUMOylate target proteins","Defective SLC2A1 causes GLUT1 deficiency syndrome 1 (GLUT1DS1)","SARS-CoV-1 Infection
","Transcriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","G1/S Transition","Toll Like Receptor 5 (TLR5) Ca
scade","Leishmania parasite growth and survival","Transcriptional Regulation by TP53","HSF1-dependent transactivation","Transcriptional Regulation by MECP2","Activation of NMDA receptors and postsynap
tic events","Amine ligand-binding receptors","SUMOylation of intracellular receptors","SARS-CoV-1 Genome Replication and Transcription","RUNX3 Regulates Immune Response and Cell Migration","Mitotic An
aphase","HDR through Homologous Recombination (HRR)","Activation of the pre-replicative complex","MyD88 cascade initiated on plasma membrane","Anti-inflammatory response favouring Leishmania parasite 
infection","Regulation of TP53 Activity","Attenuation phase","Regulation of MECP2 expression and activity","Post NMDA receptor activation events",Adrenoceptors,"Replication of the SARS-CoV-1 genome","
Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","MAP kinase activation","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degr
adation","Activation of AMPK downstream of NMDARs","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","MAPK targets/ Nuclear events med
iated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{RPS2}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{SR-05000001613,SR05000001613,SPECTRUM1500272,HMS1920K12,CCG-39913,CCG39913,SR-05000001613-2,SR050000016132,T0982,1500272,"(+)-Emetine dihydrochloride hydrate",EMETINE}

> <pdid>
PD010245

> <targets>
{}

> <classes>
{"DNA and protein synthesis","inhibits RNA"}

> <pubchem_cids>
{5702047}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  2  1  0
  6  9  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15365

> <plate>
PLATE 001

> <well>
G11

> <supplier_cmpd_name>
Gimeracil

> <ctcr_id>
828

> <supplier_cmpd_id>
T0987

> <smiles>
OC1=CC(=O)C(=CN1)Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Gimeracil,103766-25-2,103766252,"5-Chloro-2,4-dihydroxypyridine","5Chloro2,4dihydroxypyridine",gimestat,"5-chloropyridine-2,4-diol","5chloropyridine2,4diol",5-Chloro-4-hydroxy-2(1H)-pyridone,5Chloro4
hydroxy2(1H)pyridone,5-Chloro-4-hydroxy-2(1H)-pyridinone,5Chloro4hydroxy2(1H)pyridinone,5-Chloro-4-hydroxy-1H-pyridin-2-one,5Chloro4hydroxy1Hpyridin2one,UNII-UA8SE1325T,UNIIUA8SE1325T,5-chloro-2-hydro
xypyridin-4(1H),5chloro2hydroxypyridin4(1H),S2055}

> <pdid>

> <targets>
{Dehydrogenase}

> <classes>
{Metabolism}

> <pubchem_cids>
{54679224}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 20  0  0  0  0            999 V2000
   13.8990    1.1273    0.0000 H   0  3
   11.3990    1.1273    0.0000 H   0  3
    8.8990    1.1273    0.0000 Cl  0  5
    6.3990    1.1273    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 N   0  0
   -3.8916    3.7585    0.0000 C   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -2.5847    6.0040    0.0000 N   0  0
   -1.2883    5.2495    0.0000 C   0  0
   -1.2935    3.7495    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0031    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 10 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  2  0
 21  7  1  0
 21 22  1  0
 22 23  1  0
M  CHG  4   1   1   2   1   3  -1   4  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15366

> <plate>
PLATE 001

> <well>
H2

> <supplier_cmpd_name>
Trimetazidine dihydrochloride

> <ctcr_id>
5296

> <supplier_cmpd_id>
T0988

> <smiles>
[H+].[H+].[Cl-].[Cl-].COc1ccc(CN2CCNCC2)c(OC)c1OC

> <pd_targets>
{CTDSP1,APOBEC3A,CPT1B,CYP1A2,TGR,APOBEC3G,ACAA1}

> <pathway_gtopdb>
{Enzyme,Phosphatase,Hydrolase,Transferase,"Cytochrome P450","Protein Phosphatase","Cytochrome P450 family 1","Serine/threonine protein phosphatase","Cytochrome P450 family 1A","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP1 family"}

> <pathway_reactome>
{"Metabolism of RNA",Metabolism,Disease,"mRNA Editing","Metabolism of lipids","Biological oxidations","Infectious disease","mRNA Editing: C to U Conversion","Fatty acid metabolism","Phase I - Function
alization of compounds","HIV Infection","Formation of the Editosome","Carnitine metabolism","Cytochrome P450 - arranged by substrate type","Host Interactions of HIV factors","alpha-linolenic (omega3) 
and linoleic (omega6) acid metabolism",Xenobiotics,"APOBEC3G mediated resistance to HIV-1 infection","alpha-linolenic acid (ALA) metabolism","Aromatic amines can be N-hydroxylated or N-dealkylated by 
CYP1A2"}

> <broad_targets>
{ACAA2}

> <broad_moa>
{"3-ketoacyl CoA thiolase inhibitor"}

> <synonyms>
{"Trimetazidine dihydrochloride",13171-25-0,13171250,"1-(2,3,4-Trimethoxybenzyl)piperazine dihydrochloride","1(2,3,4Trimethoxybenzyl)piperazine dihydrochloride",Kyurinett,"Trimetazidine hydrochloride"
,"Trimetazidine (dihydrochloride)",1-((2,1((2,3,"4-trimethoxyphenyl)methyl)piperazine dihyd","4trimethoxyphenyl)methyl)piperazine dihyd",T0988,Prestw-549}

> <pdid>
PD009144

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{83201,68286961}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
    6.4833   -9.7648    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4897   -5.2632    0.0000 O   0  0
    3.8912   -5.2578    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.5133   -2.9102    0.0000 C   0  0
    1.9910   -3.1685    0.0000 C   0  0
    2.5062   -4.5772    0.0000 C   0  0
    1.5439   -5.7278    0.0000 C   0  0
    0.0662   -5.4697    0.0000 C   0  0
   -0.8961   -6.6203    0.0000 Cl  0  0
   -0.4490   -4.0609    0.0000 C   0  0
   -1.9267   -3.8029    0.0000 Cl  0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8926   -3.7566    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 11  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 18  1  0
 24 25  1  0
 16 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 15 30  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15367

> <plate>
PLATE 001

> <well>
H3

> <supplier_cmpd_name>
Clevidipine butyrate

> <ctcr_id>
4176

> <supplier_cmpd_id>
T0999

> <smiles>
CCCC(=O)OCOC(=O)C1=C(C)NC(=C(C1c2cccc(Cl)c2Cl)C(=O)OC)C

> <pd_targets>
{ABCB11,CACNA1C,CACNA1D,CACNA1F,CACNA1S}

> <pathway_gtopdb>
{Transporter,"Ion channel","Primary active transporter","Voltage-gated ion channel","ATP-binding cassette","Voltage-gated calcium channel","ABCB subfamily"}

> <pathway_chembl>
{Transporters,"Ion channels","ATP-binding cassette transporter family","Voltage-gated ion channels","ABCB subfamily","Voltage-gated calcium channels"}

> <pathway_reactome>
{Metabolism,"Developmental Biology","Metabolism of lipids","Nervous system development","Metabolism of steroids","Axon guidance","Bile acid and bile salt metabolism","NCAM signaling for neurite out-gr
owth","Synthesis of bile acids and bile salts","NCAM1 interactions","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{CACNA1C,CACNA1D,CACNA1F,CACNA1S}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{Clevidipine,"Clevidipine butyrate",167221-71-8,167221718,"167221 71 8",Cleviprex,Clevelox,rac-Clevidipine,racClevidipine,"rac Clevidipine",(-)-R-Clevidipine,()RClevidipine,"( ) R Clevidipine",166432-
28-6,166432286,"166432 28 6",SR-01000945183,SR01000945183,"SR 01000945183","Clevidipine (USAN:INN)","Cleviprex (TN)","H 324/38","Clevidipine, Cleviprex","Cleviprex (Clevidipine)",T0999,S2080,"Clevidip
ine Butyrate"}

> <pdid>
PD009347

> <targets>
{"Calcium Channel"}

> <classes>
{"Transmembrane Transporters"}

> <pubchem_cids>
{153994}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 40 43  0  0  1  0            999 V2000
    6.3990   -6.3774    0.0000 Cl  0  0
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 O   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -5.1961   -7.5000    0.0000 C   0  0  2  0  0  0
   -6.4764   -6.7185    0.0000 O   0  0
   -3.8971   -8.2500    0.0000 C   0  0
   -2.5980   -7.5000    0.0000 C   0  0  2  0  0  0
   -1.2998   -8.2531    0.0000 O   0  0
   -1.3019   -9.7539    0.0000 C   0  0
   -0.0055  -10.5085    0.0000 C   0  0
   -0.0107  -12.0085    0.0000 C   0  0
    1.2858  -12.7630    0.0000 N   0  0
   -1.3123  -12.7540    0.0000 C   0  0
   -1.3175  -14.2540    0.0000 O   0  0
   -2.6087  -11.9995    0.0000 C   0  0
   -3.9104  -12.7450    0.0000 C   0  0
   -2.6036  -10.4995    0.0000 O   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1596   -8.9800    0.0000 C   0  0
   -6.4587   -9.7299    0.0000 O   0  0
   -3.8602   -9.7310    0.0000 C   0  0
   -3.8599  -11.2310    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 21  1  0
 19 30  1  0
 30 14  2  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 33 11  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36  4  1  0
 36  8  2  0
 16 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15368

> <plate>
PLATE 001

> <well>
H4

> <supplier_cmpd_name>
Doxorubicin hydrochloride

> <ctcr_id>
3694

> <supplier_cmpd_id>
T1020

> <smiles>
Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(=O)CO

> <pd_targets>
{HSP90AA1,HSP90AB1,HIF1A,MAPT,RORC,MAPK1,POLB,SKA,FTL,KEAP1,NFE2L2,S100A4,THRB,STX1,ALDH1A1,FFP,NS1,ALD,GLF,KMT2A,MEN1,RECQL,KDM4E,STAT6,APAF1,BLM,USP2,TGR,NPSR1,CYP3A4,TIM23,BRCA1,POL,"REVERSE TRANSC
RIPTASE",HINDIIIR,NR5A1,TOP1,TOP2A,TOP2B,RAD51,HTR1B,HTR4,CISD1,LANA1,TERT,RNASE1,ALOX15,CASP9,CASP1,MMP2,ABCB1,PAX8,DHCR7,EBP,ABCC1,CHRM1,ERBB2,LCK,EPAS1,SLCO1B3,AURKA,FYN,ABCC4,NS3,HTT}

> <pathway_gtopdb>
{"Other cytosolic protein","Transcription factor",Enzyme,"Unclassified protein","Epigenetic regulator","Membrane receptor",Transporter,"Nuclear receptor",Kinase,Oxidoreductase,Transferase,Isomerase,Re
ader,Eraser,Protease,"Family A G protein-coupled receptor","Cytochrome P450",Hydrolase,"Primary active transporter","Electrochemical transporter","Nuclear hormone receptor subfamily 1","Protein Kinase
",Bromodomain,"Lysine demethylase","Cysteine protease","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 5","Small molecule receptor (family A GPCR)","M
etallo protease","ATP-binding cassette","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group A","
Jumonji domain-containing","Cysteine protease CA clan","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 5 group A","Monoamine receptor","Cystein
e protease CD clan","Metallo protease MAM clan","ABCB subfamily","ABCC subfamily","TK protein kinase group","SLC21/SLCO family of organic anion transporting polypeptides","Other protein kinase group",
"Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group A member 2","Cysteine protease C1A family","Cysteine protease C19 
family","Neuropeptide receptor","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 5 group A member 1","Serotonin receptor","Cysteine protease C14 family","Metallo protease M10A subfamily","Ace
tylcholine receptor","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Other protein kinase AUR family","CMGC protein kinase ERK1","Tyrosine protein kinase SrcA","Serine prot
ease","Serine protease PA clan","Serine protease S29 family"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Transcription factors","Peptidases and proteinases","G protein
-coupled receptors","Cytochrome P450","Heat shock proteins","DNA topoisomerases","Eicosanoid turnover","ATP-binding cassette transporter family","Catalytic receptors","SLC superfamily of solute carrie
rs","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1A. Thyroid hormone receptors","1.14.11.- Histone demethylases","STAT transcription factors","CA: Cysteine (C) 
Peptidases","Neuropeptide S receptor","CYP3 family","5A. Fushi tarazu F1-like receptors","5-Hydroxytryptamine receptors",Lipoxygenases,"CD: Cysteine (C) Peptidases","MA: Metallo (M) Peptidases","ABCB 
subfamily","ABCC subfamily","Acetylcholine receptors (muscarinic)","Receptor kinases","SLCO family of organic anion transporting polypeptides","Mitogen-activated protein kinases (MAP kinases)","C19: U
biquitin-specific protease","C14: Caspase","M10: Matrix metallopeptidase","TK: Tyrosine kinase","Other protein kinases","ERK subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinase
s (nRTKs)","Aurora kinase (Aur) family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Neuronal System","Gene expression (Transcription)","Immune System","DNA Repair","Vesicle-mediated transport","Metabolism of proteins",Metabolism,"Programmed 
Cell Death",Disease,"Cell Cycle","Signal Transduction",Autophagy,"Developmental Biology",Hemostasis,"Cellular responses to stress","Transmission across Chemical Synapses","RNA Polymerase II Transcript
ion","Innate Immune System","Base Excision Repair","Membrane Trafficking","Post-translational protein modification","Biological oxidations",Apoptosis,"DNA Double-Strand Break Repair","Infectious disea
se","Metabolism of lipids",Mitotic,"Signaling by GPCR","Chromosome Maintenance","Chaperone Mediated Autophagy","Nervous system development","Abacavir transport and metabolism","Platelet activation","s
ignaling and aggregation","Cellular response to hypoxia","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Toll-like Receptor Cascades","Resolution of 
Abasic Sites (AP sites)","trans-Golgi Network Vesicle Budding",SUMOylation,"Phase I - Functionalization of compounds","Cytosolic sensors of pathogen-associated DNA","Intrinsic Pathway for Apoptosis","
Homology Directed Repair","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic G2-G2/M phases","Mitotic G1 phase and G1/S transition","GPCR ligand binding","Telo
mere Maintenance","Axon guidance","Abacavir transmembrane transport","Fatty acid metabolism","HIV Infection","Metabolism of steroids","Response to elevated platelet cytosolic Ca2+","Oxygen-dependent p
roline hydroxylation of Hypoxia-inducible Factor Alpha","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Toll Like Receptor 5 (TLR5) Cascade","Resolution o
f AP sites via the multiple-nucleotide patch replacement pathway","Golgi Associated Vesicle Biogenesis","SUMO E3 ligases SUMOylate target proteins","Ethanol oxidation","STING mediated induction of hos
t immune responses","Apoptotic factor-mediated response","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by TP53","Leishmania parasite growth 
and survival","Biosynthesis of DHA-derived SPMs","G2/M Transition","G0 and Early G1","Class A/1 (Rhodopsin-like receptors)","Extension of Telomeres","Biosynthesis of DPA-derived SPMs","EPH-Ephrin sign
aling","Arachidonic acid metabolism","Semaphorin interactions","Host Interactions of HIV factors","Bile acid and bile salt metabolism","Platelet degranulation","Post NMDA receptor activation events","
RUNX3 Regulates Immune Response and Cell Migration","MyD88 cascade initiated on plasma membrane","PCNA-Dependent Long Patch Base Excision Repair","SUMOylation of intracellular receptors","STAT6-mediat
ed induction of chemokines","Cytochrome c-mediated apoptotic response","HDR through Homologous Recombination (HRR)","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishmania paras
ite infection","Biosynthesis of maresins","Centrosome maturation","SUMOylation of DNA replication proteins","Transcription of E2F targets under negative control by DREAM complex","Amine ligand-binding
 receptors","Telomere Extension By Telomerase","Biosynthesis of DPAn-3 SPMs","TP53 Regulates Transcription of Cell Death Genes","EPH-ephrin mediated repulsion of cells","Synthesis of Leukotrienes (LT)
 and Eoxins (EX)","Sema4D in semaphorin signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Recycling of bile acids and salts","Activation of AMPK downstream of NMDARs","MAP ki
nase activation","Formation of apoptosome","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Expression and Degradation","ADORA2B mediated anti-inflammatory cytokines production","Biosy
nthesis of maresin-like SPMs","Loss of proteins required for interphase microtubule organization from the centrosome","Serotonin receptors","Biosynthesis of DPAn-3-derived protectins and resolvins","T
P53 Regulates Transcription of Caspase Activators and Caspases","Muscarinic acetylcholine receptors","Sema4D induced cell migration and growth-cone collapse","Nef-mediates down modulation of cell surf
ace receptors by recruiting them to clathrin adapters","Regulation of TP53 Activity through Phosphorylation","Nef and signal transduction","MAPK targets/ Nuclear events mediated by MAP kinases","Regul
ation of the apoptosome activity","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes","Nef Mediated CD4 Down-regul
ation","ERK/MAPK targets","ERKs are inactivated","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX1","Regulation of MECP2 expression and activity","RUNX1 regulates genes involv
ed in megakaryocyte differentiation and platelet function"}

> <broad_targets>
{CHD1,TOP2A}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{"ADM hydrochloride",25316-40-9,25316409,"Hydroxydaunorubicin hydrochloride","Epirubicin HCl","FI 6804","4-epi-Adriamycin hydrochloride","4'epiAdriamycin hydrochloride",56390-09-1,56390091,MLS00270210
7,"DOX HCl",NSC123127,"Doxorubicin, Hydrochloride",14-Hydroxydaunorubicin,14Hydroxydaunorubicin,"Doxorubicin hydrochloride_AOD",T0125,T1020,123127,NSC256942,"NSC 123127","Epirubicin hydrochloride","Do
xorubicin hydrochloride"}

> <pdid>
PD000383

> <targets>
{}

> <classes>
{"Topoisomerase II Inhibitors"}

> <pubchem_cids>
{32874,5458238,68441416}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 51 53  0  0  0  0            999 V2000
   -2.5993   -0.0041    0.0000 C   0  0
   -1.3013    0.7478    0.0000 C   0  0
    0.0000    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
    1.3000   -2.2500    0.0000 C   0  0
    1.3000   -3.7500    0.0000 O   0  0
    2.6000   -1.5000    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000   -2.2500    0.0000 C   0  0
    4.4162   -3.6593    0.0000 O   0  0
    3.4546   -4.8116    0.0000 C   0  0
    3.9685   -6.2208    0.0000 C   0  0
    3.0050   -7.3705    0.0000 C   0  0
    2.0137   -8.4963    0.0000 C   0  0
    4.4690   -7.5907    0.0000 O   0  0
    5.4329   -6.4414    0.0000 C   0  0
    1.5277   -7.1110    0.0000 C   0  0
    0.5642   -8.2607    0.0000 O   0  0
    1.0137   -5.7018    0.0000 C   0  0
   -0.4637   -5.4423    0.0000 C   0  0
    1.9771   -4.5521    0.0000 O   0  0
    5.2000   -1.5000    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000   -2.2500    0.0000 C   0  0
    6.4969   -3.7508    0.0000 O   0  0
    7.7946   -4.5047    0.0000 C   0  0
    9.0943   -3.7556    0.0000 O   0  0
   10.3928   -4.5065    0.0000 C   0  0
   11.6923   -3.7573    0.0000 C   0  0
   10.3918   -6.0065    0.0000 C   0  0
    9.0923   -6.7556    0.0000 C   0  0
    7.7937   -6.0048    0.0000 C   0  0
    6.4942   -6.7539    0.0000 O   0  0
    9.0944   -8.2565    0.0000 N   0  0
   10.3940   -9.0055    0.0000 C   0  0
    7.7962   -9.0079    0.0000 C   0  0
    7.8000   -1.5000    0.0000 C   0  0
    7.7644   -2.9996    0.0000 C   0  0
    9.0812   -0.7199    0.0000 O   0  0
    7.8000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6164    1.4691    0.0000 C   0  0
   -0.0163    1.4692    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 13 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 11  1  0
  9 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 26  1  0
 32 33  1  0
 31 34  1  0
 34 35  1  0
 34 36  1  0
 24 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
 40 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  1  0
 45 47  1  0
 47 48  1  0
 47 49  1  0
 49  3  1  0
 49 50  1  0
 49 51  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15369

> <plate>
PLATE 001

> <well>
H5

> <supplier_cmpd_name>
Erythromycin

> <ctcr_id>
3384

> <supplier_cmpd_id>
T1032

> <smiles>
CCC1OC(=O)C(C)C(OC2CC(C)(OC)C(O)C(C)O2)C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)(O)CC(C)C(=O)C(C)C(O)C1(C)O

> <pd_targets>
{MLNR,CYP3A4,ALB,KCNH2,AMPC,AOX1,ABCB1,CYP1B1,ABCB1A}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Secreted protein","Ion channel",Transporter,"Family A G protein-coupled receptor","Cytochrome P450","Voltage-gated ion channel",Hydrolase,Oxidoreductase,"Primary active tr
ansporter","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Potassium channels","ATP-binding cassette","Cytochrome P450 family 1","Short peptide receptor (family A GPCR)","Cytochrome P45
0 family 3A","Voltage-gated potassium channel","ABCB subfamily","Cytochrome P450 family 1B","Motilin receptor","Cytochrome P450 3A4","Cytochrome P450 1B1"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"G protein-coupled receptors","Cytochrome P450","Voltage-gated ion channels","ATP-binding cassette transporter family","Motilin receptor","CYP3 family","
Potassium channels","ABCB subfamily","CYP1 family","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Muscle contraction","Signaling by GPCR","Metabolism of lipids","Cardiac conduction","Metabolism of vitamins and cofactors","Abacavir transport and metabolism","Biolo
gical oxidations","GPCR ligand binding","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","Phase 3 - rapid repolarisation","Metabolism of water-soluble vitamins and 
cofactors","Abacavir transmembrane transport","Phase I - Functionalization of compounds","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Bile acid and bile salt metabolism",
"Vitamins B6 activation to pyridoxal phosphate","Cytochrome P450 - arranged by substrate type","Peptide ligand-binding receptors","Biosynthesis of maresins","Recycling of bile acids and salts","Endoge
nous sterols","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{MLNR}

> <broad_moa>
{"NFkB pathway inhibitor"}

> <synonyms>
{Erythromid,Pantomicina,Propiocine,Abboticin,Dotycin,Erycinum,Eryderm,Ilocaps,Erycin,Kesso-Mycin,KessoMycin,Taimoxin-F,TaimoxinF,Erythrogran,Ilotycin,ERYC,erythro,Eritrocina,Erythroguent,Torlamicina,E
rmycin,Erycette,Robimycin,Stiemycin,Erycen,Erygel,Erytab,Inderm,T1032,S1635,Erythromycin}

> <pdid>
PD002345

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{3255}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 58 63  0  0  1  0            999 V2000
    2.2495    2.6548    0.0000 C   0  0
    3.6576    2.1380    0.0000 C   0  0
    4.8089    3.0995    0.0000 O   0  0
    3.9139    0.6592    0.0000 O   0  0
    2.7600   -0.3100    0.0000 C   0  0  1  0  0  0
    3.4900    0.9500    0.0000 C   0  0
    4.7600    0.2300    0.0000 O   0  0
    4.0400   -1.0400    0.0000 C   0  0  2  0  0  0
    4.0400   -2.4900    0.0000 C   0  0
    2.7600   -3.2200    0.0000 C   0  0  2  0  0  0
    2.7575   -4.7200    0.0000 O   0  0
    1.4900   -2.4900    0.0000 C   0  0  2  0  0  0
    1.4875   -3.9900    0.0000 C   0  0
    1.4900   -1.0400    0.0000 C   0  0  2  0  0  0
    0.2100   -0.3100    0.0000 C   0  0  2  0  0  0
    0.2081    1.1912    0.0000 O   0  0
    1.5064    1.9441    0.0000 C   0  0
    2.8067    1.1962    0.0000 O   0  0
    1.5045    3.4449    0.0000 C   0  0
    2.8011    4.1993    0.0000 C   0  0
    2.7961    5.6993    0.0000 C   0  0
    1.4946    6.4450    0.0000 C   0  0
    0.1980    5.6907    0.0000 C   0  0
    0.2030    4.1907    0.0000 C   0  0
   -1.0600   -1.0400    0.0000 C   0  0  1  0  0  0
   -1.0600    0.4600    0.0000 O   0  0
   -2.3300   -0.3100    0.0000 C   0  0
   -3.6100   -1.0400    0.0000 C   0  0  2  0  0  0
   -4.9097   -0.2889    0.0000 O   0  0
   -6.2103   -1.0379    0.0000 C   0  0
   -6.2111   -2.0379    0.0000 O   0  0
   -7.5097   -0.2869    0.0000 C   0  0  2  0  0  0
   -7.5086    1.2131    0.0000 O   0  0
   -8.8103   -1.0359    0.0000 C   0  0  1  0  0  0
   -8.8084   -2.5367    0.0000 N   0  0
   -7.5082   -3.2863    0.0000 C   0  0
   -6.6426   -2.7855    0.0000 O   0  0
   -7.5062   -4.7871    0.0000 O   0  0
   -6.2060   -5.5367    0.0000 C   0  0
   -6.2047   -6.5367    0.0000 C   0  0
   -4.9077   -4.7855    0.0000 C   0  0
   -4.9061   -6.2852    0.0000 C   0  0
  -10.1097   -0.2849    0.0000 C   0  0
  -11.4107   -1.0316    0.0000 C   0  0
  -12.7078   -0.2783    0.0000 C   0  0
  -12.7041    1.2217    0.0000 C   0  0
  -11.4032    1.9684    0.0000 C   0  0
  -10.1060    1.2152    0.0000 C   0  0
   -3.6100   -2.4900    0.0000 C   0  0
   -2.3300   -3.2200    0.0000 C   0  0
   -1.0600   -2.4900    0.0000 C   0  0  1  0  0  0
   -1.0600   -1.4900    0.0000 O   0  0
    0.2100   -3.2200    0.0000 C   0  0
    0.2075   -4.7200    0.0000 O   0  0
   -2.0200    0.2800    0.0000 C   0  0
   -0.9882    1.3687    0.0000 C   0  0
   -3.4648    0.6831    0.0000 C   0  0
   -4.9070   -3.2434    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8  5  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  6
 14 12  1  6
 14  5  1  0
 14 15  1  0
 15 16  1  1
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 15 25  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  0
 28 29  1  1
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  1
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 39 42  1  0
 34 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 43  1  0
 28 49  1  0
 49 50  2  3
 50 51  1  0
 51 52  1  1
 51 53  1  0
 53 12  1  0
 53 54  2  0
 50 55  1  0
 55 25  1  0
 55 56  1  0
 55 57  1  0
 49 58  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15370

> <plate>
PLATE 001

> <well>
H6

> <supplier_cmpd_name>
Docetaxel

> <ctcr_id>
4639

> <supplier_cmpd_id>
T1034

> <smiles>
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)[C@@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](O)C3=O)C5(C)C)C

> <pd_targets>
{MAPK1,FFP,FTL,KMT2A,MEN1,RORC,KIF11,EGFR,GHRHR,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,NOD2,ABCB11,CYP3A4,TACR2,TUBB5,NR1I2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Epigenetic regulator","Transcription factor","Other cytosolic protein","Membrane receptor","Structural protein",Transporter,Kinase,Transferase,Reader,"Nuclear receptor"
,"Family B G protein-coupled receptor","Primary active transporter","Cytochrome P450","Family A G protein-coupled receptor","Protein Kinase",Bromodomain,"Nuclear hormone receptor subfamily 1","Peptide
 receptor (family B GPCR)","ATP-binding cassette","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","TK protein k
inase group","Glucagon-like receptor","ABCB subfamily","Cytochrome P450 family 3A","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group I","CMGC protein kinase MAPK fam
ily","Nuclear hormone receptor subfamily 1 group F member 3","Tyrosine protein kinase EGFR family","Growth hormone-releasing hormone receptor","Cytochrome P450 3A4","Neurokinin receptor","Nuclear horm
one receptor subfamily 1 group I member 2","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors",Kinesins,"Catalytic receptors","G protein-coupled receptors","ATP-binding cassette transporte
r family","Cytochrome P450",Tubulins,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphans","Receptor kinases","Glucagon receptor family","Pattern recognition receptors","
ABCB subfamily","CYP3 family","Tachykinin receptors","1I. Vitamin D receptor-like receptors","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","NOD-like receptor family","ERK sub
family","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Immune System","Vesicle-mediated transport","Gene expression (Transcription)","Signal Transduction",Disease,Metabolism,"Cell Cycle","Metabolism of proteins","Innate Immune System","Membrane Traffick
ing","RNA Polymerase II Transcription","Signaling by GPCR","Infectious disease","Metabolism of lipids",Mitotic,"Post-translational protein modification","Toll-like Receptor Cascades","trans-Golgi Netw
ork Vesicle Budding","Generic Transcription Pathway","Intra-Golgi and retrograde Golgi-to-ER traffic","GPCR downstream signalling","Leishmania infection","Metabolism of steroids","Biosynthesis of spec
ialized proresolving mediators (SPMs)","GPCR ligand binding","Mitotic G2-G2/M phases",SUMOylation,"Toll Like Receptor 5 (TLR5) Cascade","Golgi Associated Vesicle Biogenesis","Transcriptional regulatio
n by RUNX3","Golgi-to-ER retrograde transport","G alpha (q) signalling events","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","Biosynthesis of DHA-derived SPMs","Class 
A/1 (Rhodopsin-like receptors)","G2/M Transition","SUMO E3 ligases SUMOylate target proteins","MyD88 cascade initiated on plasma membrane","RUNX3 Regulates Immune Response and Cell Migration","COPI-de
pendent Golgi-to-ER retrograde traffic","Gastrin-CREB signalling pathway via PKC and MAPK","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of bile acids and bile salts"
,"Biosynthesis of maresins","Peptide ligand-binding receptors","Centrosome maturation","SUMOylation of intracellular receptors","MAP kinase activation","EGFR Transactivation by Gastrin","ADORA2B media
ted anti-inflammatory cytokines production","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Biosynthesis of maresin-like SPMs","Tachykinin receptors bind tachykinins","Loss of 
proteins required for interphase microtubule organization from the centrosome","MAPK targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","Loss of Nlp from mi
totic centrosomes","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{BCL2,MAP2,MAP4,MAPT,NR1I2,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3D,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{RESTW118,"Docetaxel (Taxotere)",SMR000059010,Docetaxel/,MLS000069455,MLS000759480,MLS001423968,SCHEMBL5553029,CHEMBL1510899,MolPort-006-823-826,MolPort006823826,HMS2051A12,HMS3715N15,"Docetaxel(Taxot
ere)/UK 427857",ABP000473,ABP000761,BBL102375,STL556176,ZINC95546207,A,T0186,T1034,SAM001246689,Prestw-1180,"Docetaxel trihydrate",Docetaxel,CPD000059010}

> <pdid>
PD003020

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{11970251}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 43 47  0  0  1  0            999 V2000
    6.4990   -5.2473    0.0000 C   0  0
    6.4987   -3.7473    0.0000 O   0  0
    5.1993   -2.9963    0.0000 C   0  0
    3.9014   -3.7484    0.0000 C   0  0
    2.6012   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8967   -0.7484    0.0000 C   0  0
    5.1969   -1.4963    0.0000 C   0  0
    6.4947   -0.7442    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1953   -1.5031    0.0000 O   0  0
   -5.1932   -3.0039    0.0000 C   0  0  2  0  0  0
   -3.8915   -3.7495    0.0000 O   0  0
   -3.8863   -5.2495    0.0000 C   0  0  2  0  0  0
   -2.5825   -5.9928    0.0000 C   0  0
   -1.2864   -5.2360    0.0000 O   0  0
    0.0175   -5.9792    0.0000 C   0  0  2  0  0  0
    0.0228   -7.4793    0.0000 O   0  0
    1.3244   -8.2248    0.0000 C   0  0  1  0  0  0
    1.3297   -9.7248    0.0000 C   0  0
    2.6209   -7.4702    0.0000 C   0  0  2  0  0  0
    3.9225   -8.2157    0.0000 O   0  0
    2.6156   -5.9703    0.0000 C   0  0  1  0  0  0
    3.9120   -5.2157    0.0000 O   0  0
    1.3140   -5.2248    0.0000 C   0  0  1  0  0  0
    1.3088   -3.7248    0.0000 O   0  0
   -5.1828   -6.0040    0.0000 C   0  0  1  0  0  0
   -5.1776   -7.5040    0.0000 O   0  0
   -6.4844   -5.2585    0.0000 C   0  0  2  0  0  0
   -7.7808   -6.0130    0.0000 O   0  0
   -6.4896   -3.7585    0.0000 C   0  0  1  0  0  0
   -7.7912   -3.0131    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
 10  6  1  1
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 20 19  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  6
 23 24  1  0
 25 24  1  1
 25 26  1  0
 26 27  1  0
 27 28  1  6
 27 29  1  0
 29 30  1  1
 29 31  1  0
 31 32  1  6
 31 33  1  0
 33 25  1  0
 33 34  1  6
 22 35  1  0
 35 36  1  1
 35 37  1  0
 37 38  1  6
 37 39  1  0
 39 20  1  0
 39 40  1  1
 18 41  1  0
 41 42  2  0
 42 14  1  0
 42 43  1  0
 43 10  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15371

> <plate>
PLATE 001

> <well>
H7

> <supplier_cmpd_name>
Hesperidin

> <ctcr_id>
1646

> <supplier_cmpd_id>
T1035

> <smiles>
COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2

> <pd_targets>
{APBA1,CACNA1B,CTDSP1,CALM1,GSK3B,POLB,KDM1A,TDP1}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Unclassified protein","Epigenetic regulator","Voltage-gated ion channel",Phosphatase,Kinase,Eraser,Hydrolase,"Voltage-gated calcium channel","Protein Phosphatase","Protein Kinas
e","Lysine demethylase","Serine/threonine protein phosphatase","CMGC protein kinase group","Lysine-specific demethylase","CMGC protein kinase GSK family"}

> <pathway_chembl>
{Enzymes,"Ion channels","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Voltage-gated ion channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1.14.11.- Histone demethylases","Voltage-gate
d calcium channels","Glycogen synthase kinase (GSK) family","GSK subfamily"}

> <pathway_reactome>
{"Neuronal System",Disease,"DNA Repair","Signal Transduction","Transmission across Chemical Synapses","Infectious disease","Base Excision Repair","Intracellular signaling by second messengers","DNA Do
uble-Strand Break Repair","Neurotransmitter receptors and postsynaptic signal transmission","SARS-CoV Infections","Resolution of Abasic Sites (AP sites)","PIP3 activates AKT signaling","Presynaptic de
polarization and calcium channel opening","Nonhomologous End-Joining (NHEJ)","Activation of NMDA receptors and postsynaptic events","SARS-CoV-1 Infection","Resolution of AP sites via the multiple-nucl
eotide patch replacement pathway","PTEN Regulation","Post NMDA receptor activation events","SARS-CoV-1 Genome Replication and Transcription","PCNA-Dependent Long Patch Base Excision Repair","Regulatio
n of PTEN gene transcription","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Replication of the SARS-CoV-1 genome","Ras activation upon Ca2+ influx through NMDA re
ceptor"}

> <broad_targets>
{AURKB,CACNA1B}

> <broad_moa>
{"flavanone glycoside"}

> <synonyms>
{RESTW40,"RESTW 40",hesperidin,520-26-3,520263,"520 26 3",Cirantin,Hesperidoside,"Hesper bitabs",Hesperetin-rutinosid,Hesperetinrutinosid,"Hesperetin rutinosid",Hesperidine,Ciratin,(S)-(-)-Hesperidin,
(S)()Hesperidin,"(S) ( ) Hesperidin","NSC 441",T1035,Prestw-400,Hesperidin}

> <pdid>
PD001967

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{10621}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
    8.8990    4.2667    0.0000 H   0  3
    6.3990    4.2667    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
   -1.2991    5.2507    0.0000 N   0  0
   -0.0012    6.0029    0.0000 C   0  0
   -0.0036    7.5029    0.0000 C   0  0
   -1.3039    8.2509    0.0000 N   0  0
   -2.6017    7.4988    0.0000 C   0  0
   -2.5993    5.9988    0.0000 C   0  0
   -1.3093    9.7517    0.0000 C   0  0
   -0.0128   10.5060    0.0000 O   0  0
   -2.6114   10.4982    0.0000 C   0  0
   -2.7567   11.9783    0.0000 O   0  0
   -4.2255   12.2827    0.0000 C   0  0
   -4.9689   10.9799    0.0000 C   0  0
   -3.9596    9.8703    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13  7  1  0
 13 14  1  0
 14 15  2  0
 15  5  1  0
 15 16  1  0
 16 17  1  0
  9 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 21 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 26  2  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15372

> <plate>
PLATE 001

> <well>
H8

> <supplier_cmpd_name>
Prazosin hydrochloride

> <ctcr_id>
179

> <supplier_cmpd_id>
T1050

> <smiles>
[H+].[Cl-].COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)c4occc4

> <pd_targets>
{SCN1A,SCN2A,SCN3A,GLA,ADRA2A,RORC,GAA,KDM4E,ADRA1D,ADRA1A,ADRA2B,ADRA2C,HTR7,HTR1B,HSD17B10,MAPK1,LEF,HPGD,ADRA1B,CSN2,CACNA1C,ALDH1A1,HIF1A,TP53,CYP3A4,CYP1A2,HTR1D,OPRM1,DRD2,KMT2A,MEN1,NFKB1,CHRM1
,THPO,MAPT,ADORA3,KCNH2,HTR1A,NQO2,SLC22A1,HTR2A,HTR2B,HTR2C,MMP1,LMNA,NFO,GMNN,TGR,PMP22,NS1,ALD,MTOR,SLC22A3,DRD4,MMP9,SLC47A2,SLC22A2,SLC47A1,ABCC4,LMP1}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Membrane receptor","Transcription factor","Epigenetic regulator","Secreted protein","Other cytosolic protein","Unclassified protein",Transporter,"Other nuclear protein","Voltage
-gated ion channel",Hydrolase,"Family A G protein-coupled receptor","Nuclear receptor",Eraser,Oxidoreductase,Kinase,Protease,"Cytochrome P450",Reader,"Electrochemical transporter","Primary active tran
sporter","Voltage-gated sodium channel","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Lysine demethylase","Protein Kinase","Metallo protease","Voltage-gated calcium
 channel","Cytochrome P450 family 3","Cytochrome P450 family 1","Peptide receptor (family A GPCR)",Bromodomain,"Potassium channels","SLC superfamily of solute carriers","ATP-binding cassette","Monoami
ne receptor","Nuclear hormone receptor subfamily 1 group F","Jumonji domain-containing","CMGC protein kinase group","Metallo protease MAE clan","Cytochrome P450 family 3A","Cytochrome P450 family 1A",
"Short peptide receptor (family A GPCR)","Nucleotide-like receptor (family A GPCR)","Voltage-gated potassium channel","SLC22 family of organic cation and anion transporters","Metallo protease MAM clan
","Atypical protein kinase group","SLC47 family of multidrug and toxin extrusion transporters","ABCC subfamily","Adrenergic receptor","Nuclear hormone receptor subfamily 1 group F member 3","Serotonin
 receptor","CMGC protein kinase MAPK family","Metallo protease M34 family","Cytochrome P450 3A4","Cytochrome P450 1A1","Opioid receptor","Dopamine receptor","Acetylcholine receptor","Adenosine recepto
r","Metallo protease M10A subfamily","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"G protein-coupled receptors","Nuclear hormone receptors","3.2.1.- Glycosidases","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","Eicosanoid turnove
r","Voltage-gated ion channels","Cytochrome P450","SLC superfamily of solute carriers","Peptidases and proteinases","ATP-binding cassette transporter family",Adrenoceptors,"1F. Retinoic acid-related o
rphans","1.14.11.- Histone demethylases","5-Hydroxytryptamine receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Prostaglandin synthases","Voltage-gated calcium channels","CYP3 family","CYP1 
family","Opioid receptors","Dopamine receptors","Acetylcholine receptors (muscarinic)","Adenosine receptors","Potassium channels","SLC22 family of organic cation and anion transporters","MA: Metallo (
M) Peptidases",Atypical,"SLC47 family of multidrug and toxin extrusion transporters","ABCC subfamily","Mitogen-activated protein kinases (MAP kinases)","Voltage-gated potassium channels","Organic cati
on transporters (OCT)","M10: Matrix metallopeptidase","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Gene expression (Transcription)",Disease,"Immune System","Developmental Biology","Cellular responses to external stimuli","Cell Cycle",Hemostasis,"Neuronal System","
Muscle contraction","Transport of small molecules","Metabolism of lipids","Signaling by GPCR","RNA Polymerase II Transcription","Diseases of metabolism","Infectious disease","Metabolism of amino acids
 and derivatives","Innate Immune System","Nervous system development","Biological oxidations","Cellular responses to stress","Cell Cycle Checkpoints","Cytokine Signaling in Immune system","Platelet ac
tivation","signaling and aggregation","Transmission across Chemical Synapses","Cardiac conduction","SLC-mediated transmembrane transport",Mitotic,"Sphingolipid metabolism","GPCR ligand binding","Gener
ic Transcription Pathway","Diseases of carbohydrate metabolism","Leishmania infection","Branched-chain amino acid catabolism","Toll-like Receptor Cascades","Uptake and actions of bacterial toxins","Bi
osynthesis of specialized proresolving mediators (SPMs)","Axon guidance","Phase I - Functionalization of compounds","Cellular response to hypoxia","G1/S DNA Damage Checkpoints","GPCR downstream signal
ling","Signaling by Interleukins","Platelet Aggregation (Plug Formation)","Neurotransmitter receptors and postsynaptic signal transmission","Phase 3 - rapid repolarisation","Transport of bile salts an
d organic acids","metal ions and amine compounds","M Phase","Mitotic G1 phase and G1/S transition","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Response to elevated platelet cytos
olic Ca2+","Glycosphingolipid metabolism","Class A/1 (Rhodopsin-like receptors)","Transcriptional regulation by RUNX3","Glycogen storage diseases","Leishmania parasite growth and survival","Toll Like 
Receptor 5 (TLR5) Cascade","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPMs","NCAM signaling for neurite out-growth","Ethanol oxidation","Oxygen-dependent proline hydroxylatio
n of Hypoxia-inducible Factor Alpha","p53-Dependent G1/S DNA damage checkpoint","Cytochrome P450 - arranged by substrate type","G alpha (i) signalling events","Interleukin-1 family signaling","Activat
ion of NMDA receptors and postsynaptic events","Organic cation/anion/zwitterion transport","Interleukin-4 and Interleukin-13 signaling","Mitotic Metaphase and Anaphase","G1/S Transition","Transcriptio
nal Regulation by TP53","EPH-Ephrin signaling","Platelet degranulation","Amine ligand-binding receptors","RUNX3 Regulates Immune Response and Cell Migration","Glycogen storage disease type II (GAA)","
Anti-inflammatory response favouring Leishmania parasite infection","MyD88 cascade initiated on plasma membrane","Biosynthesis of D-series resolvins","NCAM1 interactions","p53-Dependent G1 DNA Damage 
Response","Biosynthesis of maresins",Xenobiotics,"Opioid Signalling","Interleukin-1 signaling","Post NMDA receptor activation events","Nucleotide-like (purinergic) receptors","Organic cation transport
","Mitotic Anaphase","Activation of the pre-replicative complex","Regulation of TP53 Activity","EPH-ephrin mediated repulsion of cells",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines prod
uction","Serotonin receptors","MAP kinase activation","Stabilization of p53","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","G-protein activatio
n","Dopamine receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Muscarinic acetylcholine receptors","Activation of AMPK downstream of NMDARs","Adenosine P1 receptors","Nuclear Envelope (NE) Reas
sembly","Regulation of TP53 Expression and Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Re
formation","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,KCNH2,KCNH6,KCNH7}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{"Prazosin clorhidrato",CHEBI:8365,"Prazosin HCI",AKOS026750015,FT-0630458,FT0630458,FT-0674002,FT0674002,"1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(2-furoyl)piperazine HCl","1(4Amino6,7dimethoxy2qu
inazolinyl)4(2furoyl)piperazine HCl","Prazosin hydrochloride",19237-84-4,19237844,"Prazosin HCl",Minipress,Vasoflex,Fura,1500495,Prestw-947,"PRAZOSIN HYDROCHLORIDE"}

> <pdid>
PD010017

> <targets>
{}

> <classes>
{antihypertensive}

> <pubchem_cids>
{657274,68546}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 17 15  0  0  0  0            999 V2000
   10.1894   -2.2553    0.0000 H   0  3
    7.6894   -2.2553    0.0000 Cl  0  5
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
 17 10  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15373

> <plate>
PLATE 001

> <well>
H9

> <supplier_cmpd_name>
Isoprenaline hydrochloride

> <ctcr_id>
33

> <supplier_cmpd_id>
T1056

> <smiles>
[H+].[Cl-].CC(C)NCC(O)c1ccc(O)c(O)c1

> <pd_targets>
{TSHR,ALDOA,ADRB3,ADRB1,ADRB2,FFP,ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,MAPT,ALOX15,ALD,HSD17B10,KDM4E,TDP1,PMP22,RXFP1,MAPK1,AMPC,BLM,POLB,NS1,GAA,TAS2R46,TAS2R31,TAS2R50,TAS2R10,TAS2R41,DRD3,TAS
2R45,MTOR,DRD4,TAS2R14,TAS2R4,DRD2,TAS2R3,TAS2R40,TAS2R39,TAS2R9,TAS2R8,TAS2R13,TAS2R43,TAS2R16,TAS2R19,TAS2R7,TAS2R42,TAS2R60,TAS2R38,TAS2R30,TAS2R1,TAS2R5,TAS2R20,PIK3R1,PIK3R2,PIK3R3,PDE4,MPI,TGR,N
FKB1,HIF1A,CYP3A4,CYP1A2,KMT2A,MEN1,HPGD,LMNA,CYP2C19,ALDH1A1}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other cytosolic protein","Epigenetic regulator","Unclassified protein","Family A G protein-coupled receptor",Lyase,Transferase,Oxidoreductase,Eraser,Hydrolase,Kinase,"Tast
e family G protein-coupled receptor",Isomerase,"Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Lysine demethylase","Protein Kinase","Taste receptor (taste family GPCR)","
Glycohormone receptor","Monoamine receptor","Jumonji domain-containing","Relaxin-like peptide receptor (family A GPCR)","CMGC protein kinase group","Atypical protein kinase group","Adrenergic receptor
","Relaxin receptor","CMGC protein kinase MAPK family","Dopamine receptor","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily","Transcription fact
or","Other nuclear protein","Cytochrome P450",Reader,"Cytochrome P450 family 3","Cytochrome P450 family 1",Bromodomain,"Cytochrome P450 family 2","Cytochrome P450 family 3A","Cytochrome P450 family 1A
","Cytochrome P450 family 2C","Cytochrome P450 3A4","Cytochrome P450 1A1","Cytochrome P450 2C19"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Eicosanoid turnover","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","3.2.1.- Glycosidases","Glycerophospholipid turnover","Glycoprotein hormone 
receptors",Adrenoceptors,Lipoxygenases,"1.14.11.- Histone demethylases","Relaxin family peptide receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Orphan and other 7TM receptors","Dopamine re
ceptors",Atypical,"Phosphatidylinositol kinases","Mitogen-activated protein kinases (MAP kinases)","Taste 2 receptors","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","
FRAP subfamily","Cytochrome P450","CYP3 family","CYP1 family","Prostaglandin synthases","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Disease,Hemostasis,"Neuronal System",Metabolism,"DNA Repair","Developmental Biology","Immune System","Signal Transduction","Gene expression (Transcription)","Metabolism of proteins","Infectious disea
se","Platelet activation","signaling and aggregation","Transmission across Chemical Synapses","Metabolism of lipids","Metabolism of amino acids and derivatives","DNA Double-Strand Break Repair","Nervo
us system development","Innate Immune System","Base Excision Repair","Diseases of metabolism","Signaling by GPCR","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor re
ceptors and second messengers","Signaling by Receptor Tyrosine Kinases","Adaptive Immune System","Post-translational protein modification","Leishmania infection","Response to elevated platelet cytosol
ic Ca2+","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Nonhomologous End-Joining
 (NHEJ)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Toll-like Receptor Cascades","Homology Directed Repair","Resolution of Abasic Sites (AP sites)","Diseases of carbohydrate met
abolism","GPCR downstream signalling","GPCR ligand binding","Generic Transcription Pathway","Signaling by FGFR in disease","Signaling by Insulin receptor","Costimulation by the CD28 family","Asparagin
e N-linked glycosylation","Leishmania parasite growth and survival","Platelet degranulation","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DPA-derived SPMs","Toll Like Recept
or 5 (TLR5) Cascade","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Glycogen storage dise
ases","G alpha (i) signalling events","Class A/1 (Rhodopsin-like receptors)","Transcriptional Regulation by TP53","Signaling by FGFR1 in disease","Insulin receptor signalling cascade","CD28 co-stimula
tion","Biosynthesis of the N-glycan precursor (dolichol lipid-linked oligosaccharide","LLO) and transfer to a nascent protein","Anti-inflammatory response favouring Leishmania parasite infection","Pos
t NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","HDR through Homologous Recombination (HRR)","PCNA-Dependent Long Patch Base Excision Repa
ir","Glycogen storage disease type II (GAA)","Amine ligand-binding receptors","Regulation of TP53 Activity","FGFR1 mutant receptor activation","IRS-mediated signalling","CD28 dependent PI3K/Akt signal
ing","Synthesis of substrates in N-glycan biosythesis","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins an
d resolvins","MAP kinase activation","Homologous DNA Pairing and Strand Exchange","Dopamine receptors","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","PI
3K Cascade",Adrenoceptors,"Synthesis of GDP-mannose","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degrad
ation","ERK/MAPK targets","ERKs are inactivated","Cellular responses to external stimuli","Cell Cycle","Cytokine Signaling in Immune system","Cellular responses to stress","Biological oxidations",Mito
tic,"Signaling by Interleukins","Cellular response to hypoxia","Phase I - Functionalization of compounds","M Phase","Interleukin-1 family signaling","Oxygen-dependent proline hydroxylation of Hypoxia-
inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Ethanol oxidation","Interleukin-1 signaling","Biosynthesis o
f maresins",Xenobiotics,"Biosynthesis of D-series resolvins","Mitotic Anaphase","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated 
or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ADRB1,ADRB2,ADRB3}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{AKOS026750017,"l-Isoprenaline hydrochloride","lIsoprenaline hydrochloride",MCULE-1456958404,MCULE1456958404,"(2-(3,4-dihydroxyphenyl)-2-hydroxyethyl)-propan-2-ylazanium;chloride","(2(3,4dihydroxyphen
yl)2hydroxyethyl)propan2ylazanium;chloride","Isoprenaline hydrochloride","ISOPROTERENOL HYDROCHLORIDE",51-30-9,51309,Isuprel,"Isoprenaline HCl",Euspiran,Aerolo,S2566,SAM002554906,1500357,CPD000058267}

> <pdid>
PD009570

> <targets>
{"Adrenergic Receptor"}

> <classes>
{bronchodilator,"Neuronal Signaling"}

> <pubchem_cids>
{57513594,13701,5807}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 18  0  0  0  0            999 V2000
   11.6982   -0.7537    0.0000 C   0  0
   10.3987   -1.5029    0.0000 C   0  0
    9.0990   -0.7525    0.0000 C   0  0
    7.7988   -1.5020    0.0000 C   0  0
    6.4990   -0.7516    0.0000 N   0  0
    5.1988   -1.5012    0.0000 C   0  0
    5.1983   -3.0012    0.0000 O   0  0
    3.8990   -0.7508    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8975   -2.2510    0.0000 O   0  0
    2.5983   -3.0004    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 12  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15374

> <plate>
PLATE 001

> <well>
H10

> <supplier_cmpd_name>
Tolbutamide

> <ctcr_id>
1355

> <supplier_cmpd_id>
T1054

> <smiles>
CCCCNC(=O)N[S](=O)(=O)c1ccc(C)cc1

> <pd_targets>
{ALB,TSHR,LEF,CHRM1,KCNJ11,CYP2C9,LMNA,ALDH1A1,SLC22A6,ABCC8,KCNJ8,KCNJ1}

> <pathway_gtopdb>
{"Secreted protein","Membrane receptor",Enzyme,"Ion channel","Other nuclear protein",Transporter,"Family A G protein-coupled receptor",Protease,"Voltage-gated ion channel","Cytochrome P450",Oxidoreduc
tase,"Electrochemical transporter","Primary active transporter","Peptide receptor (family A GPCR)","Metallo protease","Small molecule receptor (family A GPCR)","Potassium channels","Cytochrome P450 fa
mily 2","SLC superfamily of solute carriers","ATP-binding cassette","Glycohormone receptor","Metallo protease MAE clan","Monoamine receptor","Inwardly rectifying potassium channel","Cytochrome P450 fa
mily 2C","SLC22 family of organic cation and anion transporters","ABCC subfamily","Metallo protease M34 family","Acetylcholine receptor","Cytochrome P450 2C9"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,Transporters,"G protein-coupled receptors","Voltage-gated ion channels","Cytochrome P450","SLC superfamily of solute carriers","ATP-binding cassette transporter famil
y","Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","Potassium channels","CYP2 family: drug metabolising subset","SLC22 family of organic cation and anion transporters","ABCC su
bfamily","Inwardly rectifying potassium channels","Organic anion transporters (OATs)"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Cell Cycle","Transport of small molecules","Neuronal System","Metabolism of lipids","Infectious disease","Signaling by GPCR","Disorders of transmembrane tran
sporters","Biological oxidations",Mitotic,"SLC-mediated transmembrane transport","Potassium Channels","Metabolism of steroids","Leishmania infection","Uptake and actions of bacterial toxins","GPCR lig
and binding","ABC transporter disorders","Phase I - Functionalization of compounds","M Phase","Transport of bile salts and organic acids","metal ions and amine compounds","Inwardly rectifying K+ chann
els","Bile acid and bile salt metabolism","Leishmania parasite growth and survival","Uptake and function of anthrax toxins","Class A/1 (Rhodopsin-like receptors)","Defective ABCC8 can cause hypo- and 
hyper-glycemias","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Ethanol oxidation","Organic cation/anion/zwitterion transport","ATP sensitive Potassium channels","Pot
assium transport channels","Recycling of bile acids and salts","Anti-inflammatory response favouring Leishmania parasite infection","Amine ligand-binding receptors",Xenobiotics,"Mitotic Anaphase","Org
anic anion transport","ADORA2B mediated anti-inflammatory cytokines production","Muscarinic acetylcholine receptors","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelo
pe (NE) Reformation"}

> <broad_targets>
{ABCC8,KCNJ1,KCNJ11,KCNJ8}

> <broad_moa>
{"ATP channel blocker"}

> <synonyms>
{RESTW19,tolbutamide,64-77-7,64777,Orinase,Artosin,1-Butyl-3-tosylurea,1Butyl3tosylurea,Tolbutamid,Aglicid,Arkozal,Diabetol,Dolipol,Rastinon,Tolumid,Diaben,Orabet,Tolylsulfonylbutylurea,Willbutamide,B
utamide,Diabetamid,Diabuton,Diasulfon,Dirastan,Glyconon,Ipoglicone,Pramidex,T1054,SAM002554936,1500581,Prestw-190,Tolbutamide,CPD000058363,TOLBUTAMIDE}

> <pdid>
PD001726

> <targets>
{Autophagy,Potassium Channel}

> <classes>
{antidiabetic,Autophagy,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{5505}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 41 41  0  0  0  0            999 V2000
   13.9479   -7.6018    0.0000 H   0  3
   11.4479   -7.6018    0.0000 Cl  0  5
    8.9477  -16.7029    0.0000 C   0  0
    8.4765  -15.2788    0.0000 C   0  0
    7.0070  -14.9737    0.0000 C   0  0
    6.5356  -13.5488    0.0000 C   0  0
    5.0662  -13.2437    0.0000 N   0  0
    4.0652  -14.3620    0.0000 C   0  0
    2.5961  -14.0552    0.0000 C   0  0
    1.5951  -15.1735    0.0000 C   0  0
    0.1268  -14.8669    0.0000 C   0  0
    4.5948  -11.8188    0.0000 C   0  0
    3.1253  -11.5137    0.0000 C   0  0
    2.6539  -10.0888    0.0000 C   0  0
    1.1844   -9.7837    0.0000 O   0  0
    0.7130   -8.3588    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
    1.2449   -5.8157    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0
    6.3090   -5.7131    0.0000 C   0  0
    2.4133   -1.7530    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 S   0  0
   -3.8964   -0.7545    0.0000 C   0  0
   -5.1996    1.4928    0.0000 O   0  0
   -5.1966   -0.0070    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  7 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 25 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 36 39  2  0
 34 40  1  0
 40 41  2  0
 41 24  1  0
 41 31  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15375

> <plate>
PLATE 001

> <well>
H11

> <supplier_cmpd_name>
Dronedarone hydrochloride

> <ctcr_id>
2252

> <supplier_cmpd_id>
T1073

> <smiles>
[H+].[Cl-].CCCCN(CCCC)CCCOc1ccc(cc1)C(=O)c2c(CCCC)oc3ccc(N[S](C)(=O)=O)cc23

> <pd_targets>
{REP,KCNH2,ABCB11,KCNA5,CACNA1C,ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,ADRB1,CACNA1D,CACNA1F,CACNA1S,CACNB1,CACNB2,CACNB3,CACNB4,KCNK2,SCN5A,KCNJ3,KCNQ1,KCNJ12,KCNJ14,KCNJ2,KCNJ4,SLC8A1,KCND3,THRA,
HCN4,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN7A,SCN8A,SCN9A}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transporter,"Membrane receptor","Auxiliary transport protein","Transcription factor",Transferase,"Voltage-gated ion channel","Primary active transporter","Family A G protein-coup
led receptor","Calcium channel auxiliary subunit beta family","Electrochemical transporter","Nuclear receptor","Potassium channels","ATP-binding cassette","Voltage-gated calcium channel","Small molecu
le receptor (family A GPCR)","Voltage-gated sodium channel","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1","Cyclic nucleotide-regulated channel","Voltage-gated potassium c
hannel","ABCB subfamily","Monoamine receptor","Two-pore domain potassium channel","Inwardly rectifying potassium channel","SLC08 family of sodium/calcium exchangers","Nuclear hormone receptor subfamil
y 1 group A","Adrenergic receptor","Nuclear hormone receptor subfamily 1 group A member 1"}

> <pathway_chembl>
{"Other protein targets","Ion channels",Transporters,Receptors,"Anti-infective targets","Voltage-gated ion channels","ATP-binding cassette transporter family","G protein-coupled receptors","SLC superf
amily of solute carriers","Nuclear hormone receptors","Viral protein targets","Potassium channels","ABCB subfamily","Voltage-gated calcium channels",Adrenoceptors,"Voltage-gated sodium channels","SLC8
 family of sodium/calcium exchangers","1A. Thyroid hormone receptors","Cyclic nucleotide-regulated channels","Coronavirus (CoV) proteins","Voltage-gated potassium channels","Two P domain potassium cha
nnels","Inwardly rectifying potassium channels"}

> <pathway_reactome>
{Disease,"Muscle contraction",Metabolism,"Neuronal System","Developmental Biology","Signal Transduction",Hemostasis,"Metabolism of proteins","Infectious disease","Cardiac conduction","Metabolism of li
pids","Potassium Channels","Nervous system development","Signaling by GPCR","Transmission across Chemical Synapses","Platelet homeostasis","Post-translational protein modification","SARS-CoV Infection
s","Phase 3 - rapid repolarisation","Metabolism of steroids","Voltage gated Potassium channels","Axon guidance","GPCR ligand binding","Leishmania infection","Tandem pore domain potassium channels","Ne
urotransmitter receptors and postsynaptic signal transmission","Phase 2 - plateau phase","Platelet calcium homeostasis","Phase 1 - inactivation of fast Na+ channels",SUMOylation,"HCN channels","SARS-C
oV-2 Infection","Bile acid and bile salt metabolism","NCAM signaling for neurite out-growth","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","TWIK related potassium ch
annel (TREK)","L1CAM interactions","GABA receptor activation","Reduction of cytosolic Ca++ levels","SUMO E3 ligases SUMOylate target proteins","SARS-CoV-2 Genome Replication and Transcription","Synthe
sis of bile acids and bile salts","NCAM1 interactions","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Interaction between L1 and Ankyrins","GABA
 B receptor activation","SUMOylation of intracellular receptors","Replication of the SARS-CoV-2 genome","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol",Adrenoceptors,"ADORA2B me
diated anti-inflammatory cytokines production","Activation of GABAB receptors","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,ADRB1,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNB1,CACNB2,CACNB3,CACNB4,KCNA5,KCNH2,KCNK2,SCN1A}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{SCHEMBL22527644,AKOS015896704,A807785,"Dronedarone hydrochloride",141625-93-6,141625936,"141625 93 6","Dronedarone HCl","Dronedarone (Hydrochloride)",UNII-FA36DV299Q,UNIIFA36DV299Q,"UNII FA36DV299Q",
"Dronedarone HCl (Multaq)",FA36DV299Q,T1073,T7056,S2114,Dronedarone}

> <pdid>
PD009359

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{46863909,219025}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 21  0  0  0  0            999 V2000
   15.3982   -1.1283    0.0000 O   0  0
    3.8926   -3.7566    0.0000 N   0  3
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   10.2982    0.7467    0.0000 O   0  0
   10.2982   -0.7533    0.0000 C   0  0
    8.9982   -1.5033    0.0000 C   0  0
    8.9982   -3.0033    0.0000 O   0  0
    7.6982   -0.7533    0.0000 C   0  0
    7.6982    0.7467    0.0000 O   0  5
    6.3990   -1.5029    0.0000 O   0  0
   11.5982   -1.5033    0.0000 C   0  0
   11.5982   -3.0033    0.0000 O   0  0
   12.8975   -0.7537    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13  6  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 15 21  1  0
 21 22  1  0
 21 23  2  0
M  CHG  2   2   1  19  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15376

> <plate>
PLATE 002

> <well>
A2

> <supplier_cmpd_name>
Noradrenaline bitartrate monohydrate

> <ctcr_id>
2262

> <supplier_cmpd_id>
T1064

> <smiles>
O.[NH3+]CC(O)c1ccc(O)c(O)c1.OC(C(O)C([O-])=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"(-)-Noradrenaline bitartrate","()Noradrenaline bitartrate",108341-18-0,108341180,"Noradrenaline bitartrate monohydrate",339091-66-6,339091666,"Norepinephrine bitartrate monohydrate","L-Noradrenaline
 hydrogen L-tartrate monohydrate","LNoradrenaline hydrogen Ltartrate monohydrate",HMS3372I07,34888-32-9,34888329,BCP13658,AKOS030228572,AS-58301,AS58301,DB-068904,DB068904,F,S2615}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{517292,53399078}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 13 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  2  0
 11 12  1  0
 12  2  1  0
 12 13  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15377

> <plate>
PLATE 002

> <well>
A3

> <supplier_cmpd_name>
Theophylline

> <ctcr_id>
5893

> <supplier_cmpd_id>
T1083

> <smiles>
CN1C(=O)N(C)c2[nH]cnc2C1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{theophylline,58-55-9,58559,"1,3-Dimethylxanthine","1,3Dimethylxanthine",Theophyllin,Elixophyllin,Theolair,Nuelin,"Theophylline anhydrous",Respbid,Theocin,Theo-dur,Theodur,Elixophylline,Pseudotheophyl
line,Lanophyllin,Theovent,Uniphyl,Slo-phyllin,Slophyllin,Accurbron,Armophylline,Bronkodyl,SAM002554935,1500568,CPD000058537,THEOPHYLLINE}

> <pdid>

> <targets>
{}

> <classes>
{bronchodilator}

> <pubchem_cids>
{2153}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    2.2703   -4.0022    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    0.5000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0
   -0.6870   -2.7320    0.0000 O   0  0
    0.7500   -4.3800    0.0000 C   0  0
    2.2230   -4.6635    0.0000 O   0  0
   -0.2322   -5.5148    0.0000 C   0  0
    0.2584   -6.9323    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14  8  1  0
 14 15  1  0
 14 16  1  0
 16  5  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21  4  1  0
 21 22  1  0
 21 23  1  0
 23  2  1  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15378

> <plate>
PLATE 002

> <well>
A4

> <supplier_cmpd_name>
Dexamethasone (DHAP)

> <ctcr_id>
824

> <supplier_cmpd_id>
T1076

> <smiles>
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)CO

> <pd_targets>
{PLA2G5,CYP3A4,PGR,NR1I2,NR3C1,NR3C2,FABP1,AR,PLA2G1B,TSHR,PTGS2,NR0B1,ANXA1,NOS2,ABCB11,HIF1A,GAA,RORC,DUSP6}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Auxiliary transport protein","Membrane receptor","Ion channel",Hydrolase,"Cytochrome P450","Nuclear receptor","Fatty acid binding protein family","Family A G protein-co
upled receptor",Oxidoreductase,"Other ion channel","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Nuclear 
hormone receptor subfamily 0",Annexin,"Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 1 group I","Glycohormone receptor","Nuclear hormone
 receptor subfamily 0 group B","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 1 group I member 2","Nuclear hormone receptor subfamily
 3 group C member 1","Nuclear hormone receptor subfamily 3 group C member 2","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 0 group B member 1",Transporter
,"Primary active transporter",Phosphatase,"ATP-binding cassette","Protein Phosphatase","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F","Serine/threonine/tyrosine protein phosphatase","
Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Glycerophospholipid turnover","Cytochrome P450","Nuclear hormone receptors","Fatty acid-binding proteins","G protein-coupled receptors","Eicosanoid turnover
","L-Arginine turnover","Phospholipase A<sub>2</sub>","CYP3 family","1I. Vitamin D receptor-like receptors","Steroid hormone receptors","Glycoprotein hormone receptors",Cyclooxygenase,"0B. DAX-like re
ceptors","Nitric oxide synthases","3C. 3-Ketosteroid receptors",Transporters,"ATP-binding cassette transporter family","3.2.1.- Glycosidases","ABCB subfamily","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{Metabolism,"Metabolism of proteins","Gene expression (Transcription)",Disease,"Signal Transduction","Metabolism of lipids","Post-translational protein modification","RNA Polymerase II Transcription",
"Infectious disease","Signaling by GPCR","Phospholipid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)",SUMOylation,"Generic Transcription Pathway","Regulation of lipid metaboli
sm by PPARalpha","Leishmania infection","GPCR ligand binding","Infection with Mycobacterium tuberculosis","Glycerophospholipid biosynthesis","Biosynthesis of DHA-derived SPMs","SUMO E3 ligases SUMOyla
te target proteins","FOXO-mediated transcription","PPARA activates gene expression","Transcriptional regulation by RUNX2","Leishmania parasite growth and survival","Biosynthesis of DPA-derived SPMs","
Nuclear Receptor transcription pathway","Class A/1 (Rhodopsin-like receptors)","Response of Mtb to phagocytosis","Acyl chain remodelling of PC","Biosynthesis of maresins","SUMOylation of intracellular
 receptors","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","RUNX2 regulates bone development","Anti-inflammatory response favouring Leishmania parasite infection","Bi
osynthesis of DPAn-3 SPMs","Peptide ligand-binding receptors","Suppression of phagosomal maturation","Biosynthesis of maresin-like SPMs","RUNX2 regulates osteoblast differentiation","ADORA2B mediated 
anti-inflammatory cytokines production","Formyl peptide receptors bind formyl peptides and many other ligands","Inhibition of nitric oxide production","Cellular responses to external stimuli","Immune 
System","Cellular responses to stress","Diseases of metabolism","Innate Immune System","Metabolism of steroids","Cellular response to hypoxia","Diseases of carbohydrate metabolism","Toll-like Receptor
 Cascades","Bile acid and bile salt metabolism","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Glycogen storage diseases","Transcriptional regulation by RUNX3","Toll Like 
Receptor 5 (TLR5) Cascade","Synthesis of bile acids and bile salts","Glycogen storage disease type II (GAA)","RUNX3 Regulates Immune Response and Cell Migration","MyD88 cascade initiated on plasma mem
brane","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ANXA1,NOS2,NR0B1,NR3C1,NR3C2}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{Hormezon,Valisone,"9-Fluoro-11,17,21-trihydroxy-16-methylpregna-1,4-diene-3,20-dione","9Fluoro11,17,21trihydroxy16methylpregna1,4diene3,20dione",Celestone,Bebate,.beta.-Methasone,.beta.Methasone,".be
ta.-Methasone alcohol",".beta.Methasone alcohol",NSC39470,9-Fluoro-16.beta.-methylprednisolone,9Fluoro16.beta.methylprednisolone,"Prednisolone, 9-fluoro-16.beta.-methyl-","Prednisolone, 9fluoro16.beta
.methyl",GF12091,SAM002589959,S1322,CPD000339803,"Dexamethasone (DHAP)"}

> <pdid>
PD002388

> <targets>
{"IL Receptor",Autophagy}

> <classes>
{Others}

> <pubchem_cids>
{3003}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
   -1.4188  -10.5751    0.0000 C   0  0
   -1.8661   -9.1434    0.0000 C   0  0
   -3.3298   -8.8154    0.0000 C   0  0
   -0.8500   -8.0388    0.0000 C   0  0
    0.6137   -8.3668    0.0000 C   0  0
   -1.2977   -6.6063    0.0000 C   0  0
   -0.2816   -5.5018    0.0000 C   0  0
   -0.7292   -4.0692    0.0000 C   0  0
   -2.1929   -3.7413    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2212   -2.3711    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8933    3.7570    0.0000 C   0  0
    5.1925    3.0071    0.0000 C   0  0
    6.4915    3.7571    0.0000 C   0  0
    7.7905    3.0072    0.0000 O   0  0
    6.4914    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    3.8933    5.2570    0.0000 C   0  0
    2.5943    6.0070    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 10  1  0
 18 13  1  0
 18 19  1  0
 14 20  2  3
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 22  1  0
 28 29  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15379

> <plate>
PLATE 002

> <well>
A5

> <supplier_cmpd_name>
Vitamin D2

> <ctcr_id>
2433

> <supplier_cmpd_id>
T1086

> <smiles>
CC(C)C(C)C=CC(C)C1CCC2C(CCCC12C)=CC=C3CC(O)CCC3=C

> <pd_targets>
{GROES,GROL,HSPD1,HSPE1,TGR,AMPC,TST,ABCB11,VDR,CACNA1A,CACNA1B,CACNA1C,CACNA1D,CACNA1E,CACNA1F,CACNA1G,CACNA1H,CACNA1I,CACNA1S,CACNA2D1,CACNA2D2,CACNA2D3,CACNA2D4,CACNB1,CACNB2,CACNB3,CACNB4,CACNG1,C
ACNG2,CACNG3,CACNG4,CACNG5,CACNG6,CACNG7,CACNG8}

> <pathway_gtopdb>
{"Unclassified protein","Other cytosolic protein",Enzyme,Transporter,"Transcription factor","Ion channel",Hydrolase,Transferase,"Primary active transporter","Nuclear receptor","Voltage-gated ion chann
el","ATP-binding cassette","Nuclear hormone receptor subfamily 1","Voltage-gated calcium channel","ABCB subfamily","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 1 
group I member 1"}

> <pathway_chembl>
{Transporters,Receptors,"ATP-binding cassette transporter family","Nuclear hormone receptors","ABCB subfamily","1I. Vitamin D receptor-like receptors"}

> <pathway_reactome>
{Metabolism,"Metabolism of proteins","Metabolism of amino acids and derivatives","Metabolism of lipids","Post-translational protein modification","Sulfur amino acid metabolism","Metabolism of steroids
",SUMOylation,"Degradation of cysteine and homocysteine","Bile acid and bile salt metabolism","SUMO E3 ligases SUMOylate target proteins","Sulfide oxidation to sulfate","Synthesis of bile acids and bi
le salts","SUMOylation of intracellular receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{VDR}

> <broad_moa>
{"vitamin analog"}

> <synonyms>
{50-14-6,50146,Ostelin,VD2-D3,VD2D3,"Vitamin D2 (Ergocalciferol)",Viosterin,Crtron,"5,6-trans-Vitamin D2","5,6transVitamin D2",1217448-46-8,1217448468,SCHEMBL3228643,"Ergocalciferol (Vitamin D2)-d6","
Ergocalciferol (Vitamin D2)d6",1311259-89-8,1311259898,51744-66-2,51744662,BCP03946,MCULE-6975405195,MCULE6975405195,DB-051734,DB051734,FT-0675838,FT0675838,"Oleovitamin D2;E",S4035,"Vitamin D2"}

> <pdid>
PD002348

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{3249}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 36  0  0  1  0            999 V2000
    1.6391   -7.2459    0.0000 C   0  0
    1.1939   -5.8135    0.0000 C   0  0
    0.7485   -4.3803    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
   -0.6873   -2.7330    0.0000 O   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8991    0.7525    0.0000 C   0  0
   -5.1969    1.5045    0.0000 C   0  0
   -5.1945    3.0045    0.0000 C   0  0
   -3.8943    3.7525    0.0000 C   0  0
   -2.5965    3.0004    0.0000 C   0  0
   -6.4916    3.7597    0.0000 N   0  0
   -6.4870    5.2597    0.0000 C   0  0
   -7.7931    3.0140    0.0000 C   0  0
  1  2  1  0
  2  3  3  0
  3  4  1  0
  4  5  1  6
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 12  1  0
 18 19  2  3
 19  9  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22  4  1  0
 22  8  1  0
 22 23  1  6
 20 24  1  6
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 27 30  1  0
 30 31  1  0
 30 32  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15380

> <plate>
PLATE 002

> <well>
A6

> <supplier_cmpd_name>
Mifepristone

> <ctcr_id>
2079

> <supplier_cmpd_id>
T1102

> <smiles>
CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c5ccc(cc5)N(C)C

> <pd_targets>
{NR3C1,PGR,AR,NR3C2,ABCB1A,ESR1,FTL,BLM,GMNN,LMNA,MAPK1,RORC,NPSR1,CYP3A4,CYP2C8,HTT,NFO,MAPK14,PMP22,ESR2,ALOX15,CYP2C9,NR1I2,MTOR,ADRA2B,ABCB11,OPRM1,OPRK1,FYN,SIGMAR1}

> <pathway_gtopdb>
{"Transcription factor",Transporter,"Other nuclear protein","Unclassified protein",Enzyme,"Membrane receptor","Nuclear receptor","Primary active transporter",Kinase,Protease,"Family A G protein-couple
d receptor","Cytochrome P450",Hydrolase,Oxidoreductase,"Nuclear hormone receptor subfamily 3","ATP-binding cassette","Protein Kinase","Nuclear hormone receptor subfamily 1","Cysteine protease","Peptid
e receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 3 group C","ABCB subfamily","Nuclear hor
mone receptor subfamily 3 group A","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","Cysteine protease CA clan","Short peptide receptor (family A GPCR)","Cytochrome P450 fami
ly 3A","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group I","Atypical protein kinase group","Monoamine receptor","TK protein kinase group","Nuclear hormone receptor subfamily 3 g
roup C member 1","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor subfamily 3 group C member 2","Nuclear hormon
e receptor subfamily 3 group A member 1","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","Cysteine protease C1A family","Neuropeptide receptor","Cytochrome P4
50 3A4","Cytochrome P450 2C8","Nuclear hormone receptor subfamily 3 group A member 2","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group I member 2","Atypical protein kinase PIKK family
","Adrenergic receptor","Opioid receptor","Tyrosine protein kinase Src family","CMGC protein kinase ERK1","CMGC protein kinase p38 subfamily","Atypical protein kinase FRAP subfamily","Tyrosine protein
 kinase SrcA"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Other protein targets","Nuclear hormone receptors","ATP-binding cassette transporter family","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Cytochrome P450","Ei
cosanoid turnover","Catalytic receptors","Sigma receptors","Steroid hormone receptors","ABCB subfamily","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphans","Neuropeptid
e S receptor","CYP3 family","CYP2 family: drug metabolising subset",Lipoxygenases,"1I. Vitamin D receptor-like receptors",Atypical,Adrenoceptors,"Opioid receptors","Receptor kinases","3C. 3-Ketosteroi
d receptors","3A. Estrogen receptors","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","TK: Tyrosine kinase","ERK subfamily","p38 subfa
mily","FRAP subfamily","Non-receptor tyrosine kinases (nRTKs)","Src family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins","Vesicle-mediated transport","DNA Repair","Cell Cycle","Immune System",Disease,Metabolism,"Developmental Biology","Signal Transduction","RNA
 Polymerase II Transcription","Post-translational protein modification","Membrane Trafficking","DNA Double-Strand Break Repair",Mitotic,"Innate Immune System","Infectious disease","Metabolism of lipid
s","Biological oxidations","Nervous system development","Intracellular signaling by second messengers","Signaling by GPCR","Generic Transcription Pathway",SUMOylation,"trans-Golgi Network Vesicle Budd
ing","Homology Directed Repair","Mitotic G1 phase and G1/S transition","M Phase","Toll-like Receptor Cascades","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Phase
 I - Functionalization of compounds","EGR2 and SOX10-mediated initiation of Schwann cell myelination","PIP3 activates AKT signaling","GPCR ligand binding","Metabolism of steroids","GPCR downstream sig
nalling","HIV Infection","SARS-CoV Infections","FOXO-mediated transcription","SUMO E3 ligases SUMOylate target proteins","Transcriptional regulation by RUNX2","Transcriptional regulation by RUNX1","Go
lgi Associated Vesicle Biogenesis","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","G1/S Transition","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade
","Transcriptional regulation by RUNX3","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by MECP2
","Negative regulation of the PI3K/AKT network","Biosynthesis of DPA-derived SPMs","Transcriptional Regulation by TP53","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","G a
lpha (i) signalling events","Host Interactions of HIV factors","Potential therapeutics for SARS","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","SUMOylation of intrac
ellular receptors","RUNX2 regulates bone development","RUNX1 regulates estrogen receptor mediated transcription","HDR through Homologous Recombination (HRR)","Activation of the pre-replicative complex
","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","RUNX3 Regulates Immune Response and Cell Migration","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesi
s of maresins",Xenobiotics,"Regulation of MECP2 expression and activity",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Biosynthesis of DPAn-3 SPMs","Regulation of TP53 Activity","Amine ligand-bind
ing receptors","Synthesis of bile acids and bile salts","Opioid Signalling","MECP2 regulates neuronal receptors and channels","The role of Nef in HIV-1 replication and disease pathogenesis","RUNX2 reg
ulates osteoblast differentiation","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","MAP kinase activation","ADORA2B mediated anti-inflammatory cytokines production","Bi
osynthesis of maresin-like SPMs","CYP2E1 reactions","Biosynthesis of DPAn-3-derived protectins and resolvins","Regulation of TP53 Expression and Degradation",Adrenoceptors,"Synthesis of bile acids and
 bile salts via 7alpha-hydroxycholesterol","G-protein activation","Nef and signal transduction","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) R
eformation","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","Activation of the AP-1 family of transcription factors","ERKs are inactivated"}

> <broad_targets>
{AR,NR1I2,NR3C1,PGR}

> <broad_moa>
{"glucocorticoid receptor antagonist","progesterone receptor antagonist"}

> <synonyms>
{C29H35NO2,SCHEMBL13840946,VKHAHZOOUSRJNA-YYTJNDDGSA-,VKHAHZOOUSRJNAYYTJNDDGSA,Pharmakon1600-01505615,Pharmakon160001505615,NSC759862,AKOS015960588,AC-6214,AC6214,CCG-213496,CCG213496,NSC-759862,AS-12
458,AS12458,M1732,AB01563324_01,AB0156332401,AB01563324-01,"AB01563324 01",SR-05000001761,SR05000001761,SR-05000001761-1,SR050000017611,T1102,1505615,Mifepristone,MIFEPRISTONE}

> <pdid>
PD000351

> <targets>
{}

> <classes>
{"progesterone antagonist","abortion inducer"}

> <pubchem_cids>
{18649237}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 36 39  0  0  0  0            999 V2000
    2.5800    0.0305    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
  -11.6975    3.7386    0.0000 F   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
   -6.4964   -0.7598    0.0000 C   0  0
   -7.7931   -1.5140    0.0000 C   0  0
   -7.7884   -3.0140    0.0000 C   0  0
   -6.4871   -3.7599    0.0000 C   0  0
   -6.4824   -5.2599    0.0000 F   0  0
   -5.1904   -3.0059    0.0000 C   0  0
   -5.1950   -1.5059    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2643   -2.2302    0.0000 C   0  0
    2.5453   -3.0105    0.0000 C   0  0
    2.5101   -4.5101    0.0000 C   0  0
    1.1938   -5.2294    0.0000 C   0  0
    1.1586   -6.7290    0.0000 Cl  0  0
   -0.0872   -4.4491    0.0000 C   0  0
   -0.0520   -2.9495    0.0000 C   0  0
   -1.4043   -5.1688    0.0000 C   0  0
   -1.4404   -6.6683    0.0000 F   0  0
   -2.6851   -4.3881    0.0000 F   0  0
   -2.7209   -5.8874    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
  9 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
  5 24  1  0
 24 25  1  0
 25  2  1  0
  2 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 26  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15381

> <plate>
PLATE 002

> <well>
A7

> <supplier_cmpd_name>
Penfluridol

> <ctcr_id>
5617

> <supplier_cmpd_id>
T1105

> <smiles>
OC1(CCN(CCCC(c2ccc(F)cc2)c3ccc(F)cc3)CC1)c4ccc(Cl)c(c4)C(F)(F)F

> <pd_targets>
{SCN10A,FFP,HTR2A,DRD2,HTR7,DRD4,HTR2C,RORC,HTR6,REP,DRD1,DRD3,DRD5,KCNK2,HRH1,OPRK1,OPRD1,HRH2,SLC6A4,HTR2B,HTR1A,SLC6A2,ADRA2B,HTR5A,ADRA2C,HTR1D,ADRB3,OPRM1,SLC6A3,ADRA1D}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Membrane receptor","Transcription factor",Transporter,"Voltage-gated ion channel",Transferase,"Family A G protein-coupled receptor","Nuclear receptor","Electrochemical transport
er","Voltage-gated sodium channel","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Potassium channels","Peptide receptor (family A GPCR)","SLC superfamily of solute c
arriers","Monoamine receptor","Nuclear hormone receptor subfamily 1 group F","Two-pore domain potassium channel","Short peptide receptor (family A GPCR)","SLC06 neurotransmitter transporter family","S
erotonin receptor","Dopamine receptor","Nuclear hormone receptor subfamily 1 group F member 3","Histamine receptor","Opioid receptor","Adrenergic receptor"}

> <pathway_chembl>
{"Ion channels",Receptors,"Other protein targets",Transporters,"Voltage-gated ion channels","G protein-coupled receptors","Nuclear hormone receptors","Anti-infective targets","SLC superfamily of solut
e carriers","Voltage-gated sodium channels","5-Hydroxytryptamine receptors","Dopamine receptors","1F. Retinoic acid-related orphans","Viral protein targets","Potassium channels","Histamine receptors",
"Opioid receptors","SLC6 neurotransmitter transporter family",Adrenoceptors,"Coronavirus (CoV) proteins","Two P domain potassium channels","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction",Disease,"Gene expression (Transcription)","Neuronal System","Nervous system development","Signaling by GPCR","Infectious disease","RNA Polymerase II Tran
scription","Potassium Channels","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Axon guidance","GPCR ligand binding","Leishmania infection","Generic Transcription Pa
thway","SARS-CoV Infections","Tandem pore domain potassium channels","Neurotransmitter clearance","SLC transporter disorders","GPCR downstream signalling","L1CAM interactions","Class A/1 (Rhodopsin-li
ke receptors)","Leishmania parasite growth and survival","Transcriptional regulation by RUNX3","SARS-CoV-2 Infection","TWIK related potassium channel (TREK)","Transcriptional Regulation by MECP2","Ser
otonin clearance from the synaptic cleft","Defective SLC6A2 causes orthostatic intolerance (OI)","G alpha (i) signalling events","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Inte
raction between L1 and Ankyrins","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","RUNX3 Regulates Immune Response and Cell Migration","SARS-CoV-2 
Genome Replication and Transcription","MECP2 regulates neuronal receptors and channels","Peptide ligand-binding receptors","Opioid Signalling","Serotonin receptors","Dopamine receptors","ADORA2B media
ted anti-inflammatory cytokines production","Replication of the SARS-CoV-2 genome","Histamine receptors",Adrenoceptors,"G-protein activation"}

> <broad_targets>
{CACNA1G}

> <broad_moa>
{"T-type calcium channel blocker"}

> <synonyms>
{26864-56-2,26864562,"26864 56 2",Semap,TLP-607,TLP607,"TLP 607","McN-JR-16,341","McNJR16,341","McN JR 16,341",UNII-25TLU22Q8H,UNII25TLU22Q8H,"UNII 25TLU22Q8H","R 16341",CHEMBL47050,25TLU22Q8H,MFCD008
66714,NCGC00165865-01,NCGC0016586501,"NCGC00165865 01",DSSTox_CID_28947,DSSToxCID28947,DSSTox-CID-28947,"DSSTox CID 28947",DSSTox_RID_83212,DSSToxRID83212,DSSTox-RID-83212,"DSSTox RID 83212",DSSTox_GS
ID_49021,DSSToxGSID49021,DSSTox-GSID-49021,"DSSTox GSID 49021",C28H27ClF5NO,"R 16,341",Penfluridolum,"Penfluridolum (INN-Latin)","Penfluridolum (INNLatin)","Penfluridolum (INN Latin)",T1105,S4151,Penf
luridol}

> <pdid>
PD000332

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{33630}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.2637    1.8997    0.0000 C   0  0
    1.7485    3.3085    0.0000 C   0  0
    2.7108    4.4591    0.0000 C   0  0
    4.1885    4.2009    0.0000 C   0  0
    4.7037    2.7922    0.0000 C   0  0
    3.7414    1.6416    0.0000 C   0  0
    3.7469    0.1408    0.0000 N   0  3
    2.4504   -0.6136    0.0000 O   0  5
    5.0483   -0.6052    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 O   0  0
   -1.3070    5.2494    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
  6 16  1  0
 16 17  2  3
 17 18  1  0
 17 19  1  0
 19 20  2  3
 20  5  1  0
 20 21  1  0
 16 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
M  CHG  2  13   1  14  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15382

> <plate>
PLATE 002

> <well>
A8

> <supplier_cmpd_name>
Nifedipine

> <ctcr_id>
549

> <supplier_cmpd_id>
T1146

> <smiles>
COC(/O)=C1/C(c2ccccc2[N+]([O-])=O)C(=C(C)N=C1C)C(=O)OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{nifedipine,21829-25-4,21829254,Adalat,Procardia,"Procardia XL","Adalat CC",Cordipin,Corinfar,Fenihidine,Citilat,Oxcord,Fenihidin,Bay-a-1040,Baya1040,Adalate,Nifediac,"Afeditab CR",Coracten,Hexadilat,
Introcar,Kordafen,Nifedical,Tibricol,Adapine,Anifed,Pidilat,S,SAM001246963,CPD000058291}

> <pdid>
PD003075

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4485}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    5.1873   -7.5109    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4897   -5.2632    0.0000 C   0  0
    3.8912   -5.2578    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 C   0  0
    1.2973   -2.2519    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -7.7884   -1.5181    0.0000 Cl  0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15383

> <plate>
PLATE 002

> <well>
A9

> <supplier_cmpd_name>
Fenofibrate

> <ctcr_id>
979

> <supplier_cmpd_id>
T1149

> <smiles>
CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2

> <pd_targets>
{FABP1,LMNA,TSHR,MAPK1,CYP2C9,NFO,KMT2A,MEN1,BLM,CYP3A4,PPARA,PPARG,FTL,CYP2C19,ABCB11,FABP2,TDP1,FFP,MAPT,CHRM1,ATM,PMP22,RORC,HPGD,USP2,NPSR1,CYP1A2,ADRB3,MTOR,HTR2C,SLC6A3,HTR2A,ADORA3,SLC6A2,DRD3,
ACHE,MMP25,NR1I2}

> <pathway_gtopdb>
{"Auxiliary transport protein",Enzyme,"Other nuclear protein","Membrane receptor","Epigenetic regulator","Transcription factor","Unclassified protein",Transporter,"Other cytosolic protein","Fatty acid
 binding protein family",Protease,"Family A G protein-coupled receptor",Kinase,"Cytochrome P450",Hydrolase,Reader,"Nuclear receptor","Primary active transporter",Transferase,"Electrochemical transport
er","Cysteine protease","Peptide receptor (family A GPCR)","Protein Kinase","Cytochrome P450 family 2",Bromodomain,"Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","ATP-binding casset
te","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","SLC superfamily of solute carriers","Metallo protease","Cysteine protease CA clan","Glycohormone receptor","CMGC protein kinas
e group","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group C","ABCB subfamily","Monoamine receptor","Atypical protein kinase group","Nuclear hormone r
eceptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Cytochrome P450 family 1A","SLC06 neurotransmitter transporter family","Nucleotide-like receptor (family A GPCR)","Metallo protea
se MAM clan","Nuclear hormone receptor subfamily 1 group I","Cysteine protease C1A family","CMGC protein kinase MAPK family","Cytochrome P450 2C9","Cytochrome P450 3A4","Nuclear hormone receptor subfa
mily 1 group C member 1","Nuclear hormone receptor subfamily 1 group C member 3","Cytochrome P450 2C19","Acetylcholine receptor","Atypical protein kinase PIKK family","Nuclear hormone receptor subfami
ly 1 group F member 3","Cysteine protease C19 family","Neuropeptide receptor","Cytochrome P450 1A1","Adrenergic receptor","Serotonin receptor","Adenosine receptor","Dopamine receptor","Metallo proteas
e M10A subfamily","Nuclear hormone receptor subfamily 1 group I member 2","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{"Other protein targets",Receptors,Enzymes,Transporters,"Fatty acid-binding proteins","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Nuclear hormone receptors","ATP-binding ca
ssette transporter family","Eicosanoid turnover","Peptidases and proteinases","SLC superfamily of solute carriers","Acetylcholine turnover","Glycoprotein hormone receptors","CMGC: Containing CDK",MAPK
,GSK3,"CLK families","CYP2 family: drug metabolising subset","CYP3 family","1C. Peroxisome proliferator-activated receptors","ABCB subfamily","Acetylcholine receptors (muscarinic)",Atypical,"1F. Retin
oic acid-related orphans","Prostaglandin synthases","CA: Cysteine (C) Peptidases","Neuropeptide S receptor","CYP1 family",Adrenoceptors,"5-Hydroxytryptamine receptors","SLC6 neurotransmitter transport
er family","Adenosine receptors","Dopamine receptors","MA: Metallo (M) Peptidases","1I. Vitamin D receptor-like receptors","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' k
inase-related kinases (PIKK) family","C19: Ubiquitin-specific protease","Monoamine transporter subfamily","M10: Matrix metallopeptidase","ERK subfamily","Other PIKK family kinases","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Immune System","DNA Repair","Gene expression (Transcription)","Vesicle-mediated transport","Neuronal System","Signal Transduction","Developmental Biology","Extracellu
lar matrix organization","Metabolism of proteins","Metabolism of lipids",Mitotic,"Infectious disease","Innate Immune System","Biological oxidations","DNA Double-Strand Break Repair","RNA Polymerase II
 Transcription","Membrane Trafficking","Transmission across Chemical Synapses","Signaling by GPCR","Cell Cycle Checkpoints","Nervous system development","Disorders of transmembrane transporters","Degr
adation of the extracellular matrix","Post-translational protein modification","Regulation of lipid metabolism by PPARalpha","M Phase","Leishmania infection","Toll-like Receptor Cascades","Phase I - F
unctionalization of compounds","Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","Generic Transcription Pathway","trans-Golgi Network Vesi
cle Budding","Triglyceride metabolism","Nonhomologous End-Joining (NHEJ)","Neurotransmitter receptors and postsynaptic signal transmission","GPCR ligand binding","G1/S DNA Damage Checkpoints","EGR2 an
d SOX10-mediated initiation of Schwann cell myelination","SLC transporter disorders","Phospholipid metabolism","Activation of Matrix Metalloproteinases",SUMOylation,"PPARA activates gene expression","
Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Toll Like Receptor 5 (TLR5) Cascade","Cytochrome P450 - arranged by substrate type","HDR through Homologous Recombination (HR
R) or Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Transcriptional Regulation by MECP2","Golgi Associated Vesicle Biogen
esis","Bile acid and bile salt metabolism","Triglyceride catabolism","Activation of NMDA receptors and postsynaptic events","Class A/1 (Rhodopsin-like receptors)","p53-Dependent G1/S DNA damage checkp
oint","Transcriptional regulation by RUNX3","Transcriptional Regulation by TP53","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Defective SLC6A2 causes orthostatic intolerance (OI)
","Glycerophospholipid biosynthesis","SUMO E3 ligases SUMOylate target proteins","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","MyD88 cascade initiated on pla
sma membrane",Xenobiotics,"HDR through Homologous Recombination (HRR)","Biosynthesis of maresins","Activation of gene expression by SREBF (SREBP)","MECP2 regulates transcription factors","Synthesis of
 bile acids and bile salts","Post NMDA receptor activation events","Amine ligand-binding receptors","p53-Dependent G1 DNA Damage Response","RUNX3 Regulates Immune Response and Cell Migration","Biosynt
hesis of D-series resolvins","Regulation of TP53 Activity","Nucleotide-like (purinergic) receptors","Synthesis of PC","SUMOylation of intracellular receptors","Nuclear Envelope (NE) Reassembly","ADORA
2B mediated anti-inflammatory cytokines production","MAP kinase activation","CYP2E1 reactions","Homologous DNA Pairing and Strand Exchange","Biosynthesis of maresin-like SPMs","Synthesis of bile acids
 and bile salts via 7alpha-hydroxycholesterol","Activation of AMPK downstream of NMDARs","Muscarinic acetylcholine receptors","Stabilization of p53","Regulation of TP53 Expression and Degradation","Ar
omatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Serotonin receptors","Adenosine P1 receptors","Dopamine receptors","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuc
lear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","ERK/MAPK targ
ets","ERKs are inactivated"}

> <broad_targets>
{MMP25,PPARA}

> <broad_moa>
{"PPAR receptor agonist"}

> <synonyms>
{fenofibrate,49562-28-9,49562289,Procetofen,Lipantil,Tricor,Lipanthyl,Fenobrate,Lipidil,Secalip,Antara,Finofibrate,Lipoclar,Lipofene,Proctofene,Triglide,Fenogal,Lipirex,Sedufen,Elasterin,Fenoglide,Fen
otard,Protolipan,Ankebin,Lipidex,Lipifen,Lipofen,Lip,T1149,SAM002264613,1501010,Prestw-275,Fenofibrate,CPD000058299,FENOFIBRATE}

> <pdid>
PD001506

> <targets>
{}

> <classes>
{antihyperlipidemic}

> <pubchem_cids>
{3339}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -3.9021   -3.7405    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -5.2088   -5.9860    0.0000 Cl  0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -0.0127   -6.0039    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15384

> <plate>
PLATE 002

> <well>
A10

> <supplier_cmpd_name>
Triclosan

> <ctcr_id>
2380

> <supplier_cmpd_id>
T1314

> <smiles>
Oc1cc(Cl)ccc1Oc2ccc(Cl)cc2Cl

> <pd_targets>
{ENR,HPGD,FABI,TTR,INHA,LMNA,MAPT,HSP90AA1,CBR1,FTL,HSPA5,NR1I3}

> <pathway_gtopdb>
{Enzyme,"Secreted protein","Other nuclear protein","Other cytosolic protein","Unclassified protein","Transcription factor",Oxidoreductase,"Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuc
lear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 1 group I member 3"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,"Eicosanoid turnover",Transthyretin,"Heat shock proteins","Nuclear hormone receptors","Prostaglandin synthases","1I. Vitamin D receptor-like receptors"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Cell Cycle","Neuronal System","Vesicle-mediated transport","Cellular responses to external stimuli","Gene expression (Transcription)","Metabolism of lipids","Signali
ng by GPCR",Mitotic,"Transmission across Chemical Synapses","Membrane Trafficking","Cellular responses to stress","RNA Polymerase II Transcription","Biosynthesis of specialized proresolving mediators 
(SPMs)","GPCR downstream signalling","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic G2-G2/M phases","Fatty acid metabolism","trans-Golgi Network Vesicle Budding",
"Cellular response to heat stress","Generic Transcription Pathway","Biosynthesis of DHA-derived SPMs","G alpha (i) signalling events","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and
 postsynaptic events","G2/M Transition","Arachidonic acid metabolism","Golgi Associated Vesicle Biogenesis","Regulation of HSF1-mediated heat shock response","Nuclear Receptor transcription pathway","
Biosynthesis of D-series resolvins","Visual phototransduction","Mitotic Anaphase","Post NMDA receptor activation events","Centrosome maturation","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)
","The canonical retinoid cycle in rods (twilight vision)","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Loss of proteins required for interphase microtubule organizati
on from the centrosome","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
{DNMT1}

> <broad_moa>
{"antibacterial agent"}

> <synonyms>
{triclosan,3380-34-5,3380345,"5-CHLORO-2-(2,4-DICHLOROPHENOXY)PHENOL","5CHLORO2(2,4DICHLOROPHENOXY)PHENOL","2,4,4'-Trichloro-2'-hydroxydiphenyl ether","2,4,4'Trichloro2'hydroxydiphenyl ether",Irgasan,
Cloxifenolum,Triclosanum,"Irgasan DP300","Phenol, 5-chloro-2-(2,4-dichlorophenoxy)-","Phenol, 5chloro2(2,4dichlorophenoxy)","CH 3565",5-Chloro-2-(2,5Chloro2(2,4-dichloro-phenoxy),4dichlorophenoxy),T13
14,SAM002554907,1505465,Prestw-1479,Triclosan,CPD000471847,TRICLOSAN}

> <pdid>
PD000390

> <targets>
{Antibiotic,Autophagy,Bacterial,Fungal}

> <classes>
{antiinfective,Anti-infection,Autophagy}

> <pubchem_cids>
{5564}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
   11.9554   -0.0975    0.0000 H   0  3
    9.4554   -0.0975    0.0000 Cl  0  5
    6.9546   -4.2653    0.0000 C   0  0
    5.4929   -3.9285    0.0000 N   0  0
    5.0525   -2.4938    0.0000 C   0  0
    3.5900   -2.1568    0.0000 C   0  0
    3.1497   -0.7220    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  8  1  0
 22 17  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15385

> <plate>
PLATE 002

> <well>
A11

> <supplier_cmpd_name>
Nortriptyline hydrochloride

> <ctcr_id>
5327

> <supplier_cmpd_id>
T1327

> <smiles>
[H+].[Cl-].CNCCC=C1c2ccccc2CCc3ccccc13

> <pd_targets>
{CYP3A4,ADRA2A,CHRM2,DRD2,SLC6A4,KCNJ10,CYP2D4,CYP2D6,HRH2,CYP2D3,ADRA1A,CYP1A2,HTR6,TSHR,CYP2C19,THPO,HTR1A,HTR2C,SLC6A2,SLC6A3,RET,CHRM5,HRH1,HTR1B,HTR1D,HTR1F,HTR2A,HTR2B,HTR3A,HTR3B,HTR4,HTR5A,HTR
5B,HTR7,LMNA,HTT,CHRM1,CYP2D26,CYP2C8,ADRA1B,SIGMAR1,CHRM3,TP53,CHRM4,AMPC,PMP22,MAPT,FTL,KMT2A,MEN1,NPSR1,MTOR,DRD3,ADRA2B,ADRA1D,ADRA2C,KCNJ5,KCNJ6,ADRB1,ADRB2,ADRB3,PGRMC1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Transporter,"Ion channel","Unclassified protein","Other nuclear protein","Transcription factor","Other cytosolic protein","Epigenetic regulator","Cytochrome P450","Family A
 G protein-coupled receptor","Electrochemical transporter","Voltage-gated ion channel",Kinase,Hydrolase,Reader,"Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","SLC superfamily of 
solute carriers","Potassium channels","Cytochrome P450 family 2","Cytochrome P450 family 1","Peptide receptor (family A GPCR)","Protein Kinase",Bromodomain,"Cytochrome P450 family 3A","Monoamine recep
tor","SLC06 neurotransmitter transporter family","Inwardly rectifying potassium channel","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Glycohormone receptor","Cytochrome P450 family 2C","TK
 protein kinase group","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Cytochrome P450 3A4","Adrenergic receptor","Acetylcholine receptor","Dopamine receptor","Cytochrome P45
0 2D18","Cytochrome P450 2D6","Histamine receptor","Cytochrome P450 2D3","Cytochrome P450 1A1","Serotonin receptor","Cytochrome P450 2C19","Tyrosine protein kinase Ret family","Cytochrome P450 2D2","C
ytochrome P450 2C8","Neuropeptide receptor","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Other protein targets","Cytochrome P450","G protein-coupled receptors","SLC superfamily of solute carriers","Voltage-gated ion channels","Catalytic rece
ptors","Sigma receptors","Kinases (EC 2.7.x.x)","CYP3 family",Adrenoceptors,"Acetylcholine receptors (muscarinic)","Dopamine receptors","SLC6 neurotransmitter transporter family","Potassium channels",
"CYP2 family: drug metabolising subset","Histamine receptors","CYP1 family","5-Hydroxytryptamine receptors","Glycoprotein hormone receptors","Receptor kinases","Neuropeptide S receptor",Atypical,"Mono
amine transporter subfamily","Inwardly rectifying potassium channels","TK: Tyrosine kinase","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Receptor tyrosine kinases (RTKs)","FRAP sub
family","Type XIV RTKs: RET"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Neuronal System",Disease,Hemostasis,"Developmental Biology","Cell Cycle","Gene expression (Transcription)","Vesicle-mediated transport","Metabolism of lipids","Signa
ling by GPCR","Transmission across Chemical Synapses","Biological oxidations","Infectious disease","Platelet activation","signaling and aggregation","Disorders of transmembrane transporters","Nervous 
system development",Mitotic,"RNA Polymerase II Transcription","Cell Cycle Checkpoints","Membrane Trafficking","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand binding","Neurotr
ansmitter clearance","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","Leishmania infection","Platelet Aggregation (Plug Formation)","SLC tr
ansporter disorders","Axon guidance","M Phase","Generic Transcription Pathway","SARS-CoV Infections","G1/S DNA Damage Checkpoints","EGR2 and SOX10-mediated initiation of Schwann cell myelination","tra
ns-Golgi Network Vesicle Budding","Biosynthesis of DHA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Serotonin clearance from the synaptic cleft","GABA receptor activation","Cytochrome P450 - 
arranged by substrate type","Leishmania parasite growth and survival","Defective SLC6A2 causes orthostatic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","RET sign
aling","Mitotic Metaphase and Anaphase","Transcriptional Regulation by MECP2","Potential therapeutics for SARS","p53-Dependent G1/S DNA damage checkpoint","Activation of NMDA receptors and postsynapti
c events","Golgi Associated Vesicle Biogenesis","Transcriptional Regulation by TP53","Biosynthesis of maresins","Amine ligand-binding receptors","GABA B receptor activation",Xenobiotics,"Anti-inflamma
tory response favouring Leishmania parasite infection","Mitotic Anaphase","Regulation of MECP2 expression and activity","p53-Dependent G1 DNA Damage Response","Post NMDA receptor activation events","R
egulation of TP53 Activity","Biosynthesis of maresin-like SPMs",Adrenoceptors,"Muscarinic acetylcholine receptors","Dopamine receptors","Activation of GABAB receptors","CYP2E1 reactions","ADORA2B medi
ated anti-inflammatory cytokines production","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Serotonin receptors","Histamine receptors","Nuclear Envelope (NE) Reassembly","Stabiliz
ation of p53","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression and Degradation","Inhibition  of voltage gated Ca2+ channels via Gbeta/gamma subunits","Initiation of Nuclear Env
elope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,ADRB1,ADRB2,ADRB3,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,DRD2,HRH1,HTR1A,HTR2A,HTR2C,HTR6,KCNJ10,PGRMC1,SIGMAR1,SLC6A2,SLC6A4}

> <broad_moa>
{"tricyclic antidepressant"}

> <synonyms>
{"Nortriptyline hydrochloride",894-71-3,894713,"894 71 3",Pamelor,"Desmethylamitriptyline hydrochloride",Allegron,Nortrilen,Altilev,"Nortriptyline Hcl","Nortriptyline (hydrochloride)",Acetexa,Sensival
,Vividyl,"Aventyl allegron","Ateben hydroch",SAM002554915,Prestw-254,CPD000058486}

> <pdid>
PD009970

> <targets>
{Apoptosis,Autophagy,Drug Metabolite}

> <classes>
{Apoptosis,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{441358,657214,13468}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 17 18  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987    1.5004    0.0000 C   0  0  2  0  0  0
   -3.9492    0.8772    0.0000 O   0  0
   -4.9546    1.9903    0.0000 C   0  0  2  0  0  0
   -6.4441    1.8282    0.0000 C   0  0
   -7.0500    0.4561    0.0000 O   0  0
   -4.2067    3.2905    0.0000 C   0  0  1  0  0  0
   -4.8190    4.6599    0.0000 O   0  0
   -2.7390    2.9810    0.0000 C   0  0  1  0  0  0
   -1.6199    3.9798    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  8  2  1  0
  9  6  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  6
 12 13  1  0
 11 14  1  0
 14 15  1  1
 14 16  1  0
 16  9  1  0
 16 17  1  1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15386

> <plate>
PLATE 002

> <well>
B2

> <supplier_cmpd_name>
Mylosar

> <ctcr_id>
2127

> <supplier_cmpd_id>
T1339

> <smiles>
NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O

> <pd_targets>
{LMNA,THPO,PMP22,BLM,ALDH1A1,NFKB1,AMPC,DNMT1,HBB,GMNN,CHRM1,TP53,HTT,MTOR,DNMT3A}

> <pathway_gtopdb>
{"Other nuclear protein","Unclassified protein",Enzyme,"Other cytosolic protein","Epigenetic regulator","Secreted protein","Membrane receptor","Transcription factor",Oxidoreductase,Hydrolase,Writer,"F
amily A G protein-coupled receptor",Kinase,Reader,"DNA methyltransferase","Small molecule receptor (family A GPCR)","Protein Kinase","Methyl-lysine/arginine binding protein","Monoamine receptor","Atyp
ical protein kinase group","PWWP domain","Acetylcholine receptor","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"2.1.1.- Methyltransferases","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Acetylcholine receptors (muscarinic)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (P
IKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle",Hemostasis,"Developmental Biology","DNA Repair",Metabolism,"Immune System","Metabolism of proteins","Signal Transduction","Gene expression (Transcription)",Mitotic,"Platelet activation",
"signaling and aggregation","Nervous system development","DNA Double-Strand Break Repair","Biological oxidations","Cytokine Signaling in Immune system","Post-translational protein modification","Innat
e Immune System","Signaling by GPCR","Cell Cycle Checkpoints","RNA Polymerase II Transcription","M Phase","Platelet Aggregation (Plug Formation)","EGR2 and SOX10-mediated initiation of Schwann cell my
elination","Homology Directed Repair","Phase I - Functionalization of compounds","Signaling by Interleukins",SUMOylation,"Neutrophil degranulation","Mitotic G1 phase and G1/S transition","GPCR ligand 
binding","G1/S DNA Damage Checkpoints","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Ethanol oxidation
","Interleukin-1 family signaling","SUMO E3 ligases SUMOylate target proteins","G1/S Transition","Class A/1 (Rhodopsin-like receptors)","p53-Dependent G1/S DNA damage checkpoint","Transcriptional Regu
lation by MECP2","Transcriptional Regulation by TP53","Mitotic Anaphase","HDR through Homologous Recombination (HRR)","Interleukin-1 signaling","SUMOylation of DNA methylation proteins","Activation of
 the pre-replicative complex","Amine ligand-binding receptors","p53-Dependent G1 DNA Damage Response","Regulation of MECP2 expression and activity","Regulation of TP53 Activity","Nuclear Envelope (NE)
 Reassembly","Homologous DNA Pairing and Strand Exchange","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Muscarinic acetylcholine receptors","Stabilization of p53","Regulation of TP53 Expression and De
gradation","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Deg
radation"}

> <broad_targets>
{DNMT1,DNMT3A}

> <broad_moa>
{"DNA methyltransferase inhibitor"}

> <synonyms>
{5-azacytidine,5azacytidine,Azacitidine,320-67-2,320672,Ladakamycin,Azacytidine,Vidaza,Mylosar,5-azacitidine,5azacitidine,Azacitidinum,Azacitidina,"Azacitidinum (INN-Latin)","Azacitidinum (INNLatin)",
5-AZAC,5AZAC,"Azacitidina (INN-Spanish)","Azacitidina (INNSpanish)",NSC-102816,NSC102816,C8H12N4O5,U-18496,U18496,4-Amino-1-beta-D-ribofuranosyl-s-triaz,4Amino1betaDribofuranosylstriaz,T1339,S1782,SAM
002264595,1502111,azacitidine,CPD000857239,AZACITIDINE,"5-Aza-2-deoxycytidine (Decitabine)","5-Azacytidine (Vidaza)"}

> <pdid>
PD001379

> <targets>
{}

> <classes>
{"pyrimidine antimetabolite",antineoplastic}

> <pubchem_cids>
{9444}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 12 12  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  5  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15387

> <plate>
PLATE 002

> <well>
B3

> <supplier_cmpd_name>
Methyl protocatechuate

> <ctcr_id>
11400

> <supplier_cmpd_id>
T1368

> <smiles>
COC(=O)c1cc(O)c(O)cc1

> <pd_targets>
{XDH,CA9,CA12,CA2,CA7,CA1,CA14}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase,Lyase}

> <pathway_chembl>
{Enzymes,"1.-.-.- Oxidoreductases","Carbonic anhydrases"}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli","Transport of small molecules","Immune System","Metabolism of nucleotides","Cellular responses to stress","Reversible hydration of carbon dioxide",
"O2/CO2 exchange in erythrocytes","Cytokine Signaling in Immune system","Nucleobase catabolism","Cellular response to hypoxia","Erythrocytes take up carbon dioxide and release oxygen","Signaling by In
terleukins","Purine catabolism","Regulation of gene expression by Hypoxia-inducible Factor","Interleukin-12 family signaling","Interleukin-12 signaling","Gene and protein expression by JAK-STAT signal
ing after Interleukin-12 stimulation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Methyl 3,4-dihydroxybenzoate","Methyl 3,4dihydroxybenzoate",2150-43-8,2150438,"Methyl protocatechuate","3,4-Dihydroxybenzoic acid methyl ester","3,4Dihydroxybenzoic acid methyl ester","Protocatechui
c Acid Methyl Ester","Protocatechuic acid, methyl ester","Benzoic acid, 3,4-dihydroxy-, methyl ester","Benzoic acid, 3,4dihydroxy, methyl ester",MFCD000,T1368}

> <pdid>
PD055619

> <targets>
{Antioxidant}

> <classes>
{oxidation-reduction}

> <pubchem_cids>
{287064}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 30  0  0  1  0            999 V2000
   -0.2823   -5.5001    0.0000 C   0  0
   -0.7300   -4.0685    0.0000 C   0  0  2  0  0  0
   -2.1946   -3.7406    0.0000 C   0  0
   -3.2115   -4.8444    0.0000 C   0  0
   -4.6761   -4.5166    0.0000 C   0  0
   -5.1237   -3.0850    0.0000 O   0  0
   -5.6924   -5.6198    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0  2  0  0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0  2  0  0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  2  8  1  0
  8  9  1  6
  9 10  1  0
 11 10  1  6
 11 12  1  0
 12 13  1  1
 13 14  1  0
 15 14  1  1
 15 16  1  0
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 15  1  0
 21 22  1  6
 21 23  1  0
 23 12  1  0
 23 24  1  6
 24 25  1  0
 25 26  1  0
 26  8  1  0
 26 11  1  0
 26 27  1  6
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15388

> <plate>
PLATE 002

> <well>
B4

> <supplier_cmpd_name>
Lithocholic acid

> <ctcr_id>
2742

> <supplier_cmpd_id>
T2202

> <smiles>
C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

> <pd_targets>
{CASP7,EPHA2,HSD17B10,TSHR,GROES,GROL,MAPT,BLM,PTPN1,VDR,ST3GAL1,CTDSP1,MDM4,TP53,TDP1,MAPK1,NR1I2,FFP,CYP3A4,GPBAR1,NR1H4,HIF1A,ALD,PTPN2,HSPD1,HSPE1,AKR1B1,AKR1B10}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein","Other cytosolic protein","Transcription factor",Protease,Kinase,Oxidoreductase,"Family A G protein-coupled receptor",Phosphatase,"Nuclear receptor",
Transferase,Hydrolase,"Cytochrome P450","Cysteine protease","Protein Kinase","Peptide receptor (family A GPCR)","Protein Phosphatase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3",
"Small molecule receptor (family A GPCR)","Cysteine protease CD clan","TK protein kinase group","Glycohormone receptor","Tyrosine protein phosphatase","Nuclear hormone receptor subfamily 1 group I","S
erine/threonine protein phosphatase","CMGC protein kinase group","Cytochrome P450 family 3A","Lipid-like ligand receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group H","Cysteine prote
ase C14 family","Tyrosine protein kinase Eph family","Nuclear hormone receptor subfamily 1 group I member 1","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group I member 2","
Cytochrome P450 3A4","Steroid-like ligand receptor","Nuclear hormone receptor subfamily 1 group H member 4","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Peptidases and proteinases","Catalytic receptors","G protein-coupled receptors",Phosphatases,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","CD: Cysteine (C) 
Peptidases","Receptor kinases","Glycoprotein hormone receptors","Protein tyrosine phosphatases non-receptor type (PTPN)","1I. Vitamin D receptor-like receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK f
amilies","CYP3 family","Bile acid receptor","1H. Liver X receptor-like receptors","C14: Caspase","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Receptor tyrosine kinases (RTK
s)","ERK subfamily","Type XIII RTKs: Ephrin receptor family","1.-.-.- Oxidoreductases"}

> <pathway_reactome>
{"Programmed Cell Death","Developmental Biology",Metabolism,Disease,"Neuronal System","DNA Repair","Gene expression (Transcription)","Metabolism of proteins","Immune System","Cellular responses to ext
ernal stimuli",Apoptosis,"Nervous system development","Metabolism of amino acids and derivatives","Infectious disease","Transmission across Chemical Synapses","DNA Double-Strand Break Repair","RNA Pol
ymerase II Transcription","Post-translational protein modification","Innate Immune System","Metabolism of lipids","Cellular responses to stress","Cytokine Signaling in Immune system","Intrinsic Pathwa
y for Apoptosis","Axon guidance","Branched-chain amino acid catabolism","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Homology Directed Repair","Generic Tra
nscription Pathway",SUMOylation,"SARS-CoV Infections","Nonhomologous End-Joining (NHEJ)","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroi
ds","Cellular response to hypoxia","Interferon Signaling","Apoptotic factor-mediated response","EPH-Ephrin signaling","Leishmania parasite growth and survival","Activation of NMDA receptors and postsy
naptic events","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by MECP2","SUMO E3 ligases SUMOylate target proteins","SARS-CoV-1 Infection","T
oll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Bile acid and bile salt metabolism","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Interferon gamma
 signaling","Cytochrome c-mediated apoptotic response","EPHA-mediated growth cone collapse","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events",
"HDR through Homologous Recombination (HRR)","MECP2 regulates neuronal receptors and channels","SUMOylation of intracellular receptors","Translation of structural proteins","MyD88 cascade initiated on
 plasma membrane","Biosynthesis of maresins","Synthesis of bile acids and bile salts","Regulation of IFNG signaling","Activation of caspases through apoptosome-mediated cleavage","ADORA2B mediated ant
i-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","Maturation of protein 3a","MAP kinase activation","Biosynthesis of maresin-
like SPMs","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Presynaptic phase of homologous DNA pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases","
ERK/MAPK targets","ERKs are inactivated","Metabolism of vitamins and cofactors","Metabolism of fat-soluble vitamins","Metabolism of steroid hormones","Retinoid metabolism and transport","Pregnenolone 
biosynthesis"}

> <broad_targets>
{GPBAR1,NR1H4,NR1I2,VDR}

> <broad_moa>
{"FXR antagonist","vitamin D receptor agonist"}

> <synonyms>
{RESTW79,"LITHOCHOLIC ACID",434-13-9,434139,"Lithocolic acid",Lithocholate,"3alpha-Hydroxy-5beta-cholan-24-oic acid","3alphaHydroxy5betacholan24oic acid","3alpha-Hydroxy-5beta-cholanic acid","3alphaHy
droxy5betacholanic acid","3alpha-Hydroxycholanic acid","3alphaHydroxycholanic acid","3-alpha-Hydroxycholanic acid","5beta-Cholanic acid-3alpha-ol","5betaCholanic acid3alphaol",NCI-C03861,NCIC03861,3,T
2202,Prestw-796,"Lithocholic acid"}

> <pdid>
PD001530

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{9903}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 13 12  0  0  1  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 N   0  0
    3.9000    0.7500    0.0000 C   0  0  1  0  0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0992    0.7496    0.0000 O   0  0
    7.7999   -1.5000    0.0000 N   0  0
    3.9031    2.2508    0.0000 C   0  0
    5.2032    2.9990    0.0000 O   0  0
    2.6053    3.0031    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  5 11  1  0
 11 12  2  0
 11 13  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15389

> <plate>
PLATE 002

> <well>
B5

> <supplier_cmpd_name>
Aceglutamide

> <ctcr_id>
11021

> <supplier_cmpd_id>
T0769

> <smiles>
CC(=O)N[C@@H](CCC(=O)N)C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{N-Acetyl-L-glutamine,NAcetylLglutamine,Aceglutamide,2490-97-3,2490973,"L-Glutamine, N-acetyl-","LGlutamine, Nacetyl",N-Acetylglutamine,NAcetylglutamine,acetyl-l-glutamine,acetyllglutamine,"(S)-2-Acet
amido-5-amino-5-oxopentanoic acid","(S)2Acetamido5amino5oxopentanoic acid",35305-74-9,35305749,Nalpha-Acetyl-L-glutamine,NalphaAcetylLglutamine,Ac-Gln-OH,AcGlnOH,Acetylglutamine,"L-Glutamine, N2-acety
l-","LGlutamine, N2acetyl",N,T0769}

> <pdid>
PD001302

> <targets>
{N-acylamino acid racemase,Autophagy,Endogenous Metabolite}

> <classes>
{Others,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{182230}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 30  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0000    3.0000    0.0000 C   0  0  2  0  0  0
    1.0956    4.0166    0.0000 C   0  0
    0.4767    5.3830    0.0000 C   0  0
   -1.0140    5.2166    0.0000 C   0  0  2  0  0  0
   -1.9861    4.9820    0.0000 O   0  0
   -0.5491    6.6300    0.0000 C   0  0
   -1.5661    7.7325    0.0000 O   0  0
    0.9150    6.9601    0.0000 C   0  0
    1.3618    8.3920    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0  2  0  0  0
   -2.1132    4.3307    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -3.8971    0.7500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    0.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 O   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
  8 14  1  0
 14  5  1  0
 14 15  1  1
 14 16  1  0
 16 17  1  0
 17 18  1  1
 19 17  1  1
 19  4  1  0
 19 20  1  0
 20 21  1  1
 20 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  3
 27  2  1  0
 27 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15390

> <plate>
PLATE 002

> <well>
B6

> <supplier_cmpd_name>
Methylprednisolone

> <ctcr_id>
4741

> <supplier_cmpd_id>
T1171

> <smiles>
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]4(C)C=CC(=O)C=C14

> <pd_targets>
{NS1,AR,ABCB11,NR3C1,TRPC5,HIF1A,NR1I2,ABCC4,ANXA1,HSD17B10,CYP3A4,ALDH1A1}

> <pathway_gtopdb>
{"Unclassified protein","Transcription factor",Transporter,"Ion channel",Enzyme,"Nuclear receptor","Primary active transporter","Voltage-gated ion channel","Other ion channel",Oxidoreductase,"Cytochro
me P450","Nuclear hormone receptor subfamily 3","ATP-binding cassette","Transient receptor potential channel","Nuclear hormone receptor subfamily 1",Annexin,"Cytochrome P450 family 3","Nuclear hormone
 receptor subfamily 3 group C","ABCB subfamily","Nuclear hormone receptor subfamily 1 group I","ABCC subfamily","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 3 group C member 4","Nuc
lear hormone receptor subfamily 3 group C member 1","Nuclear hormone receptor subfamily 1 group I member 2","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels",Enzymes,"Nuclear hormone receptors","ATP-binding cassette transporter family","Voltage-gated ion channels","Cytochrome P450","Steroid hormone receptors","ABCB su
bfamily","Transient Receptor Potential channels","1I. Vitamin D receptor-like receptors","ABCC subfamily","CYP3 family","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Developmental Biology","Cellular responses to external stimuli","Metabolism of proteins",Hemostasis,"Signal Transduction","RNA Polymerase II Transcriptio
n","Metabolism of lipids","Nervous system development","Cellular responses to stress","Post-translational protein modification","Platelet activation","signaling and aggregation","Signaling by GPCR","M
etabolism of amino acids and derivatives","Biological oxidations","Generic Transcription Pathway","Metabolism of steroids","Axon guidance","Cellular response to hypoxia",SUMOylation,"Response to eleva
ted platelet cytosolic Ca2+","GPCR ligand binding","Branched-chain amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Transc
riptional regulation by RUNX2","Bile acid and bile salt metabolism","FOXO-mediated transcription","Netrin-1 signaling","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","SUMO 
E3 ligases SUMOylate target proteins","Platelet degranulation","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","RUNX2 regulates bone development","Synthes
is of bile acids and bile salts","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Role of second messengers in netrin-1 signaling","SUMOylation of intracellular recept
ors","Peptide ligand-binding receptors","Biosynthesis of maresins","RUNX2 regulates osteoblast differentiation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Formyl peptide r
eceptors bind formyl peptides and many other ligands","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{methylprednisolone,83-43-2,83432,Medrol,Medrone,Metilprednisolone,Urbason,6alpha-Methylprednisolone,6alphaMethylprednisolone,Metilbetasone,Medrate,Dopomedrol,Promacortine,Besonia,Medesone,Mesopren,Me
tastab,Metrisone,Moderin,Noretona,Solomet,Urbasone,Wyacort,Methylprednisol,SAM002589984,Prestw-279,CPD000058330,"Methylprednisolone, 6-alpha"}

> <pdid>
PD001857

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6741}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 35  0  0  1  0            999 V2000
    2.5228   -3.0436    0.0000 C   0  0
    1.2626   -2.2300    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    2.5793    0.0316    0.0000 O   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -3.7124   -4.0030    0.0000 C   0  0
   -3.1022   -5.3733    0.0000 C   0  0
   -3.7125   -6.7424    0.0000 C   0  0
   -2.8308   -7.9559    0.0000 C   0  0
   -3.4409   -9.3262    0.0000 C   0  0
   -4.9332   -9.4862    0.0000 C   0  0
   -5.5417  -10.8581    0.0000 N   0  0
   -7.0331  -11.0180    0.0000 C   0  0
   -4.6579  -12.0701    0.0000 C   0  0
   -2.5592  -10.5397    0.0000 C   0  0
   -3.1693  -11.9101    0.0000 O   0  0
   -1.0674  -10.3829    0.0000 C   0  0
   -0.4573   -9.0126    0.0000 C   0  0
   -1.3390   -7.7991    0.0000 C   0  0
   -0.7289   -6.4288    0.0000 N   0  0
   -1.6105   -5.2165    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10  3  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 18 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  2  0
 27 17  1  0
 27 28  1  0
 28 29  2  0
 29 12  1  0
 29 15  1  0
 13 30  1  0
 30  9  1  0
 30 31  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15391

> <plate>
PLATE 002

> <well>
B7

> <supplier_cmpd_name>
Topotecan hydrochloride

> <ctcr_id>
6110

> <supplier_cmpd_id>
T1174

> <smiles>
CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5nc34)C2=O

> <pd_targets>
{CASP7,HIF1A,HBB,CASP1,LEF,LMNA,BRCA1,RORC,KEAP1,NFE2L2,TOP1,MAPT,GLF,KMT2A,MEN1,IMPA1,RMLC,LANA1,SLC22A2,SLC47A2,TOP2A,TOP2B,EPAS1,CYP3A4,SLC47A1,TOP1MT}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein","Secreted protein","Other nuclear protein","Other cytosolic protein","Epigenetic regulator",Transporter,Protease,"Nuclear receptor",Isomerase,Read
er,Hydrolase,"Electrochemical transporter","Cytochrome P450","Cysteine protease","Metallo protease","Nuclear hormone receptor subfamily 1",Bromodomain,"SLC superfamily of solute carriers","Cytochrome 
P450 family 3","Cysteine protease CD clan","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","SLC22 family of organic cation and anion transporters","SLC47 family of multidrug
 and toxin extrusion transporters","Cytochrome P450 family 3A","Cysteine protease C14 family","Metallo protease M34 family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4
"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Peptidases and proteinases","Nuclear hormone receptors","DNA topoisomerases","Chromatin modifying enzymes","Inositol phosphate turnover","SLC superfamily of solute car
riers","Cytochrome P450","CD: Cysteine (C) Peptidases","1F. Retinoic acid-related orphans","2.1.1.43 Histone methyltransferases (HMTs)","Inositol monophosphatase","SLC22 family of organic cation and a
nion transporters","SLC47 family of multidrug and toxin extrusion transporters","CYP3 family","C14: Caspase","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Programmed Cell Death","Cellular responses to external stimuli","Immune System","Gene expression (Transcription)",Disease,"Cell Cycle","DNA Repair","Metabolism of proteins","Neuronal System",Metabol
ism,"Transport of small molecules",Apoptosis,"Cellular responses to stress","Innate Immune System","RNA Polymerase II Transcription","Infectious disease",Mitotic,"DNA Double-Strand Break Repair","Post
-translational protein modification","Transmission across Chemical Synapses","Inositol phosphate metabolism","SLC-mediated transmembrane transport","Metabolism of lipids","Intrinsic Pathway for Apopto
sis","Cellular response to hypoxia","Neutrophil degranulation","Generic Transcription Pathway","Uptake and actions of bacterial toxins","M Phase","Homology Directed Repair",SUMOylation,"Neurotransmitt
er receptors and postsynaptic signal transmission","Synthesis of IP2",IP,"and Ins in the cytosol","Transport of bile salts and organic acids","metal ions and amine compounds","Biosynthesis of speciali
zed proresolving mediators (SPMs)","Apoptotic factor-mediated response","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional Regulation by TP53","Uptake and func
tion of anthrax toxins","Mitotic Metaphase and Anaphase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3","SUMO E3 ligases SUMOylate 
target proteins","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX1","Organic cation/anion/zwitterion transport","Biosynthesis of DHA-derived SPMs","Cytochrome
 c-mediated apoptotic response","TP53 Regulates Transcription of Cell Death Genes","Mitotic Anaphase","HDR through Homologous Recombination (HRR)","RUNX3 Regulates Immune Response and Cell Migration",
"SUMOylation of DNA replication proteins","Post NMDA receptor activation events","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Organic cation transport","Bio
synthesis of maresins","Activation of caspases through apoptosome-mediated cleavage","TP53 Regulates Transcription of Caspase Activators and Caspases","Nuclear Envelope (NE) Reassembly","Homologous DN
A Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pair
ing and strand exchange"}

> <broad_targets>
{TOP1,TOP1MT}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{RESTW119,"Topocecan free base",9-Dimethylaminomethyl-10-hydroxycamptothecin,9Dimethylaminomethyl10hydroxycamptothecin,topotecan,123948-87-8,123948878,Hycamtin,"Topotecan lactone",Hycamptamine,Topotec
ane,Topotecanum,"Topotecane (INN-French)","Topotecane (INNFrench)","Topotecanum (INN-Latin)","Topotecanum (INNLatin)",(S)-Topotecan,(S)Topotecan,UNII-7M7YKX2N15,UNII7M7YKX2N15,CHEMBL8,T1174,Prestw-119
6,"Topotecan hydrochloride",Topotecan}

> <pdid>
PD003417

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{60700}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -2.1885    3.7539    0.0000 N   0  0
   -4.6581    2.9476    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  5  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  6 13  1  0
 13  2  1  0
 13 14  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15392

> <plate>
PLATE 002

> <well>
B8

> <supplier_cmpd_name>
Temozolomide

> <ctcr_id>
5602

> <supplier_cmpd_id>
T1178

> <smiles>
CN1N=Nc2n(cnc2C(N)=O)C1=O

> <pd_targets>
{KMT2A,MEN1}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{MGMT}

> <broad_moa>
{"DNA alkylating agent"}

> <synonyms>
{temozolomide,85622-93-1,85622931,Methazolastone,Temodal,Temodar,Temozolamide,"3-methyl-4-oxo-3,4-dihydroimidazo(5,1-d)(1,2,3,5)tetrazine-8-carboxamide","3methyl4oxo3,4dihydroimidazo(5,1d)(1,2,3,5)tet
razine8carboxamide","Temozolomidum (Latin)","Sch 52365","Temozolodida (Spanish)",Temozolomidum,"CCRG 81045",CCRG-81045,CCRG81045,T1178,362856,S1237,SAM001246636,Prestw-1183,"NSC 362856",Temozolomide,C
PD000466338}

> <pdid>
PD001314

> <targets>
{Apoptosis,Autophagy,DNA Alkylator/Crosslinker}

> <classes>
{Alkylating agent,Apoptosis,Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{5394}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0875    3.7680    0.0000 F   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Cl  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.9099   -8.2497    0.0000 C   0  0
   -3.9099   -9.7497    0.0000 C   0  0
   -2.6109  -10.4997    0.0000 O   0  0
   -1.3119   -9.7497    0.0000 C   0  0
   -1.3118   -8.2497    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 11  1  0
  9 19  2  0
 19  5  1  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15393

> <plate>
PLATE 002

> <well>
B9

> <supplier_cmpd_name>
Gefitinib

> <ctcr_id>
6466

> <supplier_cmpd_id>
T1181

> <smiles>
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4

> <pd_targets>
{FLT3,EGFR,ERBB2,MAPK9,LCK,SLK,STK10,SBK1,RIPK2,GAK,MKNK1,NLK,HCK,SIK2,MAPK4,PRKD2,PRKD3,LIMK1,PHKG1,TNIK,CAMK2G,KIT,EPHB1,TUBA1A,CSNK1E,STK17B,PIM1,PIM3,MAP4K5,ERBB3,ERBB4,CHEK2,MKNK2,LYN,MYLK2,SRC,S
TK17A,DMPK,IRAK4,AXL,BLK,BRAF,RPS6KA4,EPHA8,TXK,KDR,ABL1,IRAK1,MAP3K3,MAP3K2,MAPK10,MAPK14,HIPK4,ABL2,NUAK2,IRAK3,RET,BACE1,PIP4K2C,DCLK3,EPHA5,CIT,MINK1,CDK7,NORA,FLT4,MET,CAMK2D,PHKG2,ABCB11,LTK,MAP
T,FRK,EPHA6,STK36,EPHA1,MAPK6,MAP3K19,MAP2K5,EPHB4,CSNK1D,DAPK3,TNK2,EPHA3,FGR,PTK6,PRKD1,EPHB6,ULK3,MAP4K4,EPHA7,BRSK1,ABCG2,ABCC4}

> <pathway_gtopdb>
{Enzyme,"Structural protein","Unclassified protein",Transporter,"Other cytosolic protein",Kinase,Protease,Transferase,"Primary active transporter","Protein Kinase","Cysteine protease","Aspartic protea
se","ATP-binding cassette","TK protein kinase group","CMGC protein kinase group","STE protein kinase group","Other protein kinase group","TKL protein kinase group","CAMK protein kinase group","Cystein
e protease CA clan","CK1 protein kinase group","AGC protein kinase group","Aspartic protease AA clan","ABCB subfamily","ABCG subfamily","ABCC subfamily","Tyrosine protein kinase PDGFR family","Tyrosin
e protein kinase EGFR family","CMGC protein kinase MAPK family","Tyrosine protein kinase Src family","STE protein kinase STE20 family","Other protein kinase NKF1 family","TKL protein kinase RIPK famil
y","Other protein kinase NAK family","CAMK protein kinase MAPKAPK family","CAMK protein kinase CAMK1 family","CAMK protein kinase PKD family","TKL protein kinase LISK family","CAMK protein kinase PHk 
family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase Eph family","Cysteine protease C1A family","CK1 protein kinase CK1 family","CAMK protein kinase DAPK family","CAMK protein kinase PI
M family","CAMK protein kinase RAD53 family","CAMK protein kinase MLCK family","AGC protein kinase DMPK family","TKL protein kinase IRAK family","Tyrosine protein kinase Axl family","TKL protein kinas
e RAF family","AGC protein kinase RSK family","Tyrosine protein kinase Tec family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Abl family","STE protein kinase STE11 family","CMGC p
rotein kinase DYRK family","Tyrosine protein kinase Ret family","Aspartic protease A1A subfamily","CAMK protein kinase DCAMK1 family","CMGC protein kinase CDK family","Tyrosine protein kinase Met fami
ly","Tyrosine protein kinase Alk family","Other protein kinase ULK family","STE protein kinase STE7 family","Tyrosine protein kinase Ack family","CMGC protein kinase JNK subfamily","STE protein kinase
 SLK subfamily","CAMK protein kinase MNK subfamily","CMGC protein kinase nmo subfamily","CAMK protein kinase QIK subfamily","CMGC protein kinase ERK3","TKL protein kinase LIMK subfamily","STE protein 
kinase MSN subfamily","STE protein kinase KHS subfamily","AGC protein kinase GEK subfamily","AGC protein kinase MSK subfamily","STE protein kinase MEKK2","CMGC protein kinase p38 subfamily","CMGC prot
ein kinase HIPK subfamily","CAMK protein kinase NuaK subfamily","AGC protein kinase CRIK subfamily","CMGC protein kinase CDK7 subfamily","CAMK protein kinase BRSK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)",Tubulins,"Peptidases and proteinases","ATP-binding cassette transporter family","Receptor kinases",
"CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kinases","CK1: Casein kinase 1","AGC: C
ontaining PKA",PKG,"PKC families","AA: Aspartic (A) Peptidases","Lipid modifying kinases","ABCB subfamily","ABCG subfamily","ABCC subfamily","TK: Tyrosine kinase","Mitogen-activated protein kinases (M
AP kinases)","STE20 family","Other protein kinases","TKL: Tyrosine kinase-like","MAPK-Activated Protein Kinase (MAPKAPK) family","CAMK-like (CAMKL) family","Protein kinase D (PKD) family","Phosphoryla
se kinase (PHK) family","CAMK2 family","Casein kinase 1 (CK1) family","Death-associated kinase (DAPK) family","PIM family","Myosin Light Chain Kinase (MLCK) family","DMPK family","RSK family","STE11 f
amily","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","A1: Pepsin","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","DCAMKL family","Cyclin-de
pendent kinase (CDK) family","STE7 family","Receptor tyrosine kinases (RTKs)","JNK subfamily","Non-receptor tyrosine kinases (nRTKs)","SLK subfamily","NKF1 family","Receptor interacting protein kinase
 (RIPK) family","Numb-associated kinase (NAK) family","MKN subfamily","nmo subfamily","QIK subfamily","ERK subfamily","LIM domain kinase (LISK) family","MSN subfamily","KHS subfamily","CHK1 subfamily"
,"GEK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","RAF family","MSK subfamily","p38 subfamily","HIPK subfamily","NuaK subfamily","Other DMPK family kinases","CDK7 subfamily","U
nc-51-like kinase (ULK) family","STE20 subfamily","BRSK subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family","LI
MK subfamily","Type XIII RTKs: Ephrin receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Tec family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor fam
ily","Abl family","Type XIV RTKs: RET","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Ack family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology","Immune System",Disease,"Vesicle-mediated transport",Metabolism,"Cellular responses to external stimuli","Neuronal System","Cell Cycle","Gene expression 
(Transcription)","Muscle contraction","Metabolism of proteins","Programmed Cell Death",Hemostasis,"Signaling by Receptor Tyrosine Kinases","Signaling by GPCR","Nervous system development","Innate Immu
ne System","Infectious disease","Membrane Trafficking","Signaling by WNT","MAPK family signaling cascades","Metabolism of lipids","Metabolism of carbohydrates","Cellular responses to stress","Transmis
sion across Chemical Synapses","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"RNA Polymerase II Transcription","Cardiac conduction","Cytokine Signaling in 
Immune system","Amyloid fiber formation","Signaling by Rho GTPases","Intracellular signaling by second messengers",Apoptosis,"Signaling by Hedgehog","Abacavir transport and metabolism","Platelet activ
ation","signaling and aggregation","Signaling by Insulin receptor","GPCR downstream signalling","Axon guidance","Toll-like Receptor Cascades","HIV Infection","Neutrophil degranulation","trans-Golgi Ne
twork Vesicle Budding","Signaling by FGFR","Beta-catenin independent WNT signaling","MAPK6/MAPK4 signaling","Sphingolipid metabolism","Glycogen metabolism","Cellular Senescence","Neurotransmitter rece
ptors and postsynaptic signal transmission","Signaling by KIT in disease","Mitotic G2-G2/M phases","FLT3 signaling in disease","Generic Transcription Pathway","Leishmania infection","Signaling by NTRK
s","Ion homeostasis","Signaling by VEGF","Fc epsilon receptor (FCERI) signaling","Signaling by Interleukins","RHO GTPase Effectors","Metabolism of steroids","PIP3 activates AKT signaling","Caspase act
ivation via extrinsic apoptotic signalling pathway","Mitotic G1 phase and G1/S transition","Hedgehog 'on' state","Abacavir transmembrane transport","Response to elevated platelet cytosolic Ca2+","Insu
lin receptor signalling cascade","G alpha (q) signalling events","Semaphorin interactions","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","Golgi Associated Vesicle Biogenesis
","Signaling by FGFR4","Ca2+ pathway","Sphingolipid de novo biosynthesis","Glycogen breakdown (glycogenolysis)","Oxidative Stress Induced Senescence","Activation of NMDA receptors and postsynaptic eve
nts","Drug resistance of KIT mutants","EPH-Ephrin signaling","G2/M Transition","Signaling by FLT3 ITD and TKD mutants","Transcriptional Regulation by TP53","Leishmania parasite growth and survival","S
ignaling by NTRK1 (TRKA)","Toll Like Receptor 2 (TLR2) Cascade","VEGFA-VEGFR2 Pathway","Transcriptional regulation by RUNX1","L1CAM interactions","FCERI mediated Ca+2 mobilization","Parasite infection
","Interleukin-1 family signaling","Signaling by ROBO receptors","RET signaling","RHO GTPases activate CIT","HIV Life Cycle","VEGF ligand-receptor interactions","Bile acid and bile salt metabolism","P
TEN Regulation","Caspase activation via Dependence Receptors in the absence of ligand","Negative regulation of the PI3K/AKT network","G1 Phase","Platelet degranulation","IRS-mediated signalling","Gast
rin-CREB signalling pathway via PKC and MAPK","Sema4D in semaphorin signaling","MyD88 cascade initiated on plasma membrane","The role of Nef in HIV-1 replication and disease pathogenesis","Negative re
gulation of FGFR4 signaling","Post NMDA receptor activation events","Dasatinib-resistant KIT mutants","EPHB-mediated forward signaling","Centrosome maturation","STAT5 activation downstream of FLT3 ITD
 mutants","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishmania parasite infection","Signalling to ERKs","Toll Like Receptor TLR6:TLR2 Cascade","RUNX1 regulates transcription 
of genes involved in BCR signaling","Recycling pathway of L1","EPHA-mediated growth cone collapse","VEGFR2 mediated cell proliferation","Leishmania phagocytosis","Interleukin-1 signaling","Role of ABL
 in ROBO-SLIT signaling","Late Phase of HIV Life Cycle","VEGF binds to VEGFR leading to receptor dimerization","Synthesis of bile acids and bile salts","Regulation of PTEN stability and activity","Sig
nalling to ERK5",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Cyclin D associated events in G1","PI3K Cascade","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone col
lapse","MAP kinase activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Spry regulation of FGF signaling","Nef and signal transduction","CREB1 
phosphorylation through NMDA receptor-mediated activation of RAS signaling","Loss of proteins required for interphase microtubule organization from the centrosome","Regulation of TP53 Expression and D
egradation","FCGR3A-mediated IL10 synthesis","Signalling to RAS","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Prolonged ERK activation events","Long-term potentiation","FCGR3A-mediated pha
gocytosis","Regulation of TP53 Activity through Acetylation","Transcription of the HIV genome","Sema4D mediated inhibition of cell attachment and migration","Synthesis of bile acids and bile salts via
 7alpha-hydroxycholesterol","Activation of AMPK downstream of NMDARs","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","activated TAK1 mediates p38 MAPK activa
tion","Ras activation upon Ca2+ influx through NMDA receptor","Loss of Nlp from mitotic centrosomes","Regulation of TP53 Degradation","p38MAPK events","ARMS-mediated activation","PI5P Regulates TP53 A
cetylation","HIV Transcription Elongation","Activation of the AP-1 family of transcription factors","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing 
HIV-1 Tat"}

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{15215-EP2298768A1,15215EP2298768A1,Gefitinib,184475-35-2,184475352,Iressa,ZD1839,Irressat,"gefitinib (zd1839)","ZD 1839",ZD-1839,UNII-S65743JHBS,UNIIS65743JHBS,4-(3'-Chloro-4'-fluoroanilino)-7-methox
y-6-(3-morpholinopropoxy)quinazoline,4(3'Chloro4'fluoroanilino)7methoxy6(3morpholinopropoxy)quinazoline,MFCD04307832,CHEMBL939,S65743JHBS,CHEBI:49668,NC,T1181,715055,S1025,3000,Prestw-1270,"NSC 715055
",gefitinib,Gefitinib(Iressa),"Gefitinib (ZD1839)",GEFITINIB}

> <pdid>
PD003385

> <targets>
{EGFR(HER),EGFR}

> <classes>
{"Tyrosine kinase inhibitor","Protein Tyrosine Kinase"}

> <pubchem_cids>
{123631}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    6.4908   -3.7717    0.0000 C   0  0
    5.1954   -3.0153    0.0000 O   0  0
    3.8915   -3.7585    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    2.5765   -7.5048    0.0000 N   0  0
    1.2731   -8.2489    0.0000 S   0  0
   -0.0221   -7.4921    0.0000 C   0  0
    1.2648   -9.7488    0.0000 O   0  0
   -0.0300   -8.9919    0.0000 O   0  0
    1.2883   -5.2495    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  7 10  2  0
  5 11  2  0
 11 12  1  0
 12 13  2  0
 13  3  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 16  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 15  1  0
 28 23  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15394

> <plate>
PLATE 002

> <well>
B10

> <supplier_cmpd_name>
Amsacrine

> <ctcr_id>
3071

> <supplier_cmpd_id>
T1206

> <smiles>
COc1cc(N[S](C)(=O)=O)ccc1Nc2c3ccccc3nc4ccccc24

> <pd_targets>
{CYP3A4,HSD17B10,AOX1,CHRM1,CYP2D6,KCNH2,TOP2A,THPO,CASP1,CYP1A2,TOP2B,STAT6,CASP7,HIF1A,LEF,TSHR,TP53,LMNA,KDM4E,KMT2A,GLA,NFO,HPGD,GMNN,ALDH1A1,PMP22,BLM,RORC,GFER,MAPT,RAD52,RECQL,NPSR1,APEX1,ABCC4
,MTOR,SLC22A1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Ion channel","Unclassified protein","Transcription factor","Other nuclear protein","Epigenetic regulator","Other cytosolic protein",Transporter,"Cytochrome P450",Oxidoredu
ctase,"Family A G protein-coupled receptor","Voltage-gated ion channel",Isomerase,Protease,Eraser,Reader,Hydrolase,"Nuclear receptor","Primary active transporter",Kinase,"Electrochemical transporter",
"Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","Potassium channels","Cysteine protease","Cytochrome P450 family 1","Metallo protease","Peptide receptor
 (family A GPCR)","Lysine demethylase",Bromodomain,"Nuclear hormone receptor subfamily 1","ATP-binding cassette","Protein Kinase","SLC superfamily of solute carriers","Cytochrome P450 family 3A","Mono
amine receptor","Cytochrome P450 family 2D","Voltage-gated potassium channel","Cysteine protease CD clan","Cytochrome P450 family 1A","Metallo protease MAE clan","Glycohormone receptor","Jumonji domai
n-containing","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","ABCC subfamily","Atypical protein kinase group","SLC22 family of organic cation and anion transpo
rters","Cytochrome P450 3A4","Acetylcholine receptor","Cytochrome P450 2D6","Cysteine protease C14 family","Cytochrome P450 1A1","Metallo protease M34 family","Nuclear hormone receptor subfamily 1 gro
up F member 3","Neuropeptide receptor","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Other protein targets",Transporters,"Cytochrome P450","G protein-coupled receptors","Voltage-gated ion channels","DNA topoisomerases","Peptidases and proteinases","T
ranscription factors","Chromatin modifying enzymes","Eicosanoid turnover","Nuclear hormone receptors","ATP-binding cassette transporter family","Kinases (EC 2.7.x.x)","SLC superfamily of solute carrie
rs","CYP3 family","Acetylcholine receptors (muscarinic)","CYP2 family: drug metabolising subset","Potassium channels","CD: Cysteine (C) Peptidases","CYP1 family","STAT transcription factors","Glycopro
tein hormone receptors","1.14.11.- Histone demethylases","2.1.1.43 Histone methyltransferases (HMTs)","Prostaglandin synthases","1F. Retinoic acid-related orphans","Neuropeptide S receptor","ABCC subf
amily",Atypical,"SLC22 family of organic cation and anion transporters","Voltage-gated potassium channels","C14: Caspase","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Organic catio
n transporters (OCT)","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Muscle contraction","Cell Cycle",Hemostasis,"Gene expression (Transcription)","Metabolism of proteins","Immune System","Programmed Cell Death","Cellular responses to
 external stimuli",Disease,"Developmental Biology","DNA Repair","Protein localization","Neuronal System","Transport of small molecules","Metabolism of lipids","Metabolism of amino acids and derivative
s","Metabolism of vitamins and cofactors","Signaling by GPCR","Biological oxidations","Cardiac conduction",Mitotic,"Platelet activation","signaling and aggregation","RNA Polymerase II Transcription","
Post-translational protein modification","Innate Immune System",Apoptosis,"Cellular responses to stress","Infectious disease","Cell Cycle Checkpoints","Nervous system development","DNA Double-Strand B
reak Repair","Mitochondrial protein import","Transmission across Chemical Synapses","Base Excision Repair","SLC-mediated transmembrane transport","Biosynthesis of specialized proresolving mediators (S
PMs)","Branched-chain amino acid catabolism","Metabolism of water-soluble vitamins and cofactors","GPCR ligand binding","Phase I - Functionalization of compounds","Phase 3 - rapid repolarisation","Mit
otic G1 phase and G1/S transition","Platelet Aggregation (Plug Formation)","Generic Transcription Pathway",SUMOylation,"Cytosolic sensors of pathogen-associated DNA","Intrinsic Pathway for Apoptosis",
"Cellular response to hypoxia","Uptake and actions of bacterial toxins","Leishmania infection","G1/S DNA Damage Checkpoints","M Phase","Sphingolipid metabolism","EGR2 and SOX10-mediated initiation of 
Schwann cell myelination","Homology Directed Repair","Neurotransmitter receptors and postsynaptic signal transmission","Resolution of Abasic Sites (AP sites)","Response to elevated platelet cytosolic 
Ca2+","Transport of bile salts and organic acids","metal ions and amine compounds","Biosynthesis of DHA-derived SPMs","Vitamins B6 activation to pyridoxal phosphate","Class A/1 (Rhodopsin-like recepto
rs)","Cytochrome P450 - arranged by substrate type","G0 and Early G1","Transcriptional Regulation by TP53","SUMO E3 ligases SUMOylate target proteins","STING mediated induction of host immune response
s","Apoptotic factor-mediated response","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Uptake and function of anthrax toxins","Leishmania parasite growth and survival","p5
3-Dependent G1/S DNA damage checkpoint","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX1","Glycosphingolipid metabolism","G1/S Transition","Ethanol oxidation","HDR through Homolog
ous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3","Activation of NMDA receptors and postsynaptic events","Resolution of AP sites via the multiple-nucleoti
de patch replacement pathway","Platelet degranulation","Organic cation/anion/zwitterion transport","Biosynthesis of maresins","Amine ligand-binding receptors",Xenobiotics,"Transcription of E2F targets
 under negative control by DREAM complex","TP53 Regulates Transcription of Cell Death Genes","SUMOylation of DNA replication proteins","STAT6-mediated induction of chemokines","Cytochrome c-mediated a
poptotic response","Anti-inflammatory response favouring Leishmania parasite infection","p53-Dependent G1 DNA Damage Response","Mitotic Anaphase","RUNX1 regulates genes involved in megakaryocyte diffe
rentiation and platelet function","Biosynthesis of D-series resolvins","Activation of the pre-replicative complex","HDR through Homologous Recombination (HRR)","RUNX3 Regulates Immune Response and Cel
l Migration","Post NMDA receptor activation events","HDR through Single Strand Annealing (SSA)","PCNA-Dependent Long Patch Base Excision Repair","Regulation of TP53 Activity","Organic cation transport
","Biosynthesis of maresin-like SPMs","Muscarinic acetylcholine receptors","CYP2E1 reactions","TP53 Regulates Transcription of Caspase Activators and Caspases","Aromatic amines can be N-hydroxylated o
r N-dealkylated by CYP1A2","Activation of caspases through apoptosome-mediated cleavage","ADORA2B mediated anti-inflammatory cytokines production","Stabilization of p53","Nuclear Envelope (NE) Reassem
bly","Homologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression and Degradation","Autodegradation of the E3 ubiquitin ligase COP1","Initiatio
n of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation"}

> <broad_targets>
{KCNH2,TOP2A}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{amsacrine,51264-14-3,51264143,m-AMSA,mAMSA,Amsidine,Amsidyl,Acridinylanisidide,Amsacrina,Amsacrinum,Lamasine,Amekrin,Amsine,"Acridinyl Anisidide",4'-(9-Acridinylamino)-3'-methoxymethanesulfonanilide,
4'(9Acridinylamino)3'methoxymethanesulfonanilide,4'-(9-Acridinylamino)methanesulfon-m-anisidide,4'(9Acridinylamino)methanesulfonmanisidide,SN-11841,SN11841,T1206,NSC249992,"NSC 249992",Amsacrine,M-AMS
A}

> <pdid>
PD001019

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2179}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 19  0  0  0  0            999 V2000
    7.6894   -1.5062    0.0000 Cl  0  0
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -9.0983    0.7368    0.0000 C   0  0
   -7.8029    2.9887    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 10 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15395

> <plate>
PLATE 002

> <well>
B11

> <supplier_cmpd_name>
Tetracaine hydrochloride

> <ctcr_id>
1732

> <supplier_cmpd_id>
T1198

> <smiles>
Cl.CCCCNc1ccc(cc1)C(=O)OCCN(C)C

> <pd_targets>
{SCN1A,SCN2A,SCN3A,CYP1A2,LMNA,CNGA1,MAPK1,CHRM1,BLM,GMNN,KDM4E,NFO,PMP22,AMPC,SCN9A,SIGMAR1,SCN5A,HTR2C,SCN8A,HTR2A,MAOA,SCN10A,SCN11A,SCN4A,SCN7A,RYR1,RYR2}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Other nuclear protein","Membrane receptor","Unclassified protein","Epigenetic regulator","Voltage-gated ion channel","Cytochrome P450",Kinase,"Family A G protein-coupled recepto
r",Eraser,Hydrolase,Oxidoreductase,"Ligand-gated ion channel","Voltage-gated sodium channel","Cytochrome P450 family 1","Cyclic nucleotide-regulated channel","Protein Kinase","Small molecule receptor 
(family A GPCR)","Lysine demethylase","Ryanodine receptor","Cytochrome P450 family 1A","CMGC protein kinase group","Monoamine receptor","Jumonji domain-containing","Cytochrome P450 1A1","CMGC protein 
kinase MAPK family","Acetylcholine receptor","Serotonin receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Other protein targets","Cytochrome P450","Voltage-gated ion channels","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Chromatin modifying enzymes","Sigma recep
tors","Catecholamine turnover","CYP1 family","Cyclic nucleotide-regulated channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Acetylcholine receptors (muscarinic)","1.14.11.- Histone demethylas
es","Voltage-gated sodium channels","5-Hydroxytryptamine receptors","Ryanodine receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Signal Transduction","Immune System","DNA Repair","Developmental Biology",Disease,"Muscle contraction","Biological oxidations",Mitotic,"Signaling by GPCR","Innate Immune Syst
em","DNA Double-Strand Break Repair","Nervous system development","Infectious disease","Cardiac conduction","Phase I - Functionalization of compounds","M Phase","GPCR downstream signalling","Toll-like
 Receptor Cascades","GPCR ligand binding","Homology Directed Repair","Mitotic G1 phase and G1/S transition","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Axon guidance","SARS-CoV I
nfections","Ion homeostasis","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","G alpha (i) signalling events","Toll Like Receptor 5 (TLR5) Cascade","Class A/1 (Rhodopsin
-like receptors)","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","G1/S Transition","L1CAM interactions","Potential therapeutics for SARS","Amine Oxidase reactions",Xenob
iotics,"Mitotic Anaphase","Visual phototransduction","MyD88 cascade initiated on plasma membrane","Amine ligand-binding receptors","HDR through Homologous Recombination (HRR)","Activation of the pre-r
eplicative complex","Interaction between L1 and Ankyrins","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2",
"Nuclear Envelope (NE) Reassembly","The phototransduction cascade","MAP kinase activation","Muscarinic acetylcholine receptors","Homologous DNA Pairing and Strand Exchange","Serotonin receptors","Init
iation of Nuclear Envelope (NE) Reformation","Activation of the phototransduction cascade","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and stran
d exchange","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A}

> <broad_moa>
{"membrane integrity inhibitor"}

> <synonyms>
{RESTW57,AKOS026750057,"Tetracaine hydrochloride",136-47-0,136470,"Tetracaine HCl","Amethocaine hydrochloride","2-(dimethylamino)ethyl 4-(butylamino)benzoate hydrochloride","2(dimethylamino)ethyl 4(bu
tylamino)benzoate hydrochloride","Tetracaine (hydrochloride)",Butylocaine,UNII-5NF5D4OPCI,UNII5NF5D4OPCI,tetracainehydrochloride,5NF5D4,T1198,1500564,Prestw-571,"TETRACAINE HYDROCHLORIDE","Tetraca?ne 
hydrochloride"}

> <pdid>
PD009137

> <targets>
{}

> <classes>
{"anesthetic (local)"}

> <pubchem_cids>
{67109157,15939509,8695,16057735}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 36 37  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -7.8029    2.9887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6994    0.7341    0.0000 C   0  0
  -12.9984    1.4841    0.0000 C   0  0
  -12.9985    2.9841    0.0000 C   0  0
  -11.6994    3.7341    0.0000 C   0  0
  -10.4004    2.9842    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
    2.5925    6.0081    0.0000 N   0  3
    2.5879    7.5081    0.0000 O   0  0
    3.8940    5.2624    0.0000 O   0  5
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 O   0  0
    3.8926    3.7566    0.0000 C   0  0
    6.3982    3.0043    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  2  1  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  2  3
 22 17  1  0
  4 23  1  0
 23 24  2  3
 24 25  1  0
 25 26  2  3
 26 27  1  0
 27 28  2  3
 28 23  1  0
 25 29  1  0
 29 30  2  0
 29 31  1  0
  3 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  0
M  CHG  2  29   1  31  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15396

> <plate>
PLATE 002

> <well>
C2

> <supplier_cmpd_name>
Nicardipine hydrochloride

> <ctcr_id>
7027

> <supplier_cmpd_id>
T1215

> <smiles>
CC1=C(C(C(=C(N1)C)C(=O)OCCN(C)CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC.Cl

> <pd_targets>
{BLM,CYP3A4,GMNN,FTL,MAPT,PMP22,MAPK1,NPSR1,NFO,LMNA,MDH1,CYP2C9,ADORA2A,CYP2J2,SLC29A1,ADRA1A,ADRA1B,ADRA1D,CYP2C8,KCNA4,ADORA1,ABCB11,AMPC,ABCB1,NORA,CYP2C19,CYP1A2,CYP2D6,CACNA1C,CACNA1D,CACNA1S,AD
RA2A,ADRA2B,ADRA2C,ADORA3,ABCB1A,ABCB1B,MTOR,ABCG2,TRPA1,ABCC4,CACNA1F,CACNB2,CACNA2D1,PDE1A,PDE1B,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,CALM1,NFKB1,HIF1A,THPO,TP53,TSHR}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other cytosolic protein","Membrane receptor","Other nuclear protein",Transporter,"Ion channel","Auxiliary transport protein","Transcription factor","Cytochrome P450",Ki
nase,"Family A G protein-coupled receptor",Hydrolase,Oxidoreductase,"Electrochemical transporter","Voltage-gated ion channel","Primary active transporter","Calcium channel auxiliary subunit beta famil
y","Calcium channel auxiliary subunit alpha2delta family",Phosphodiesterase,"Cytochrome P450 family 3","Protein Kinase","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Small molecule re
ceptor (family A GPCR)","SLC superfamily of solute carriers","Potassium channels","ATP-binding cassette","Cytochrome P450 family 1","Voltage-gated calcium channel","Transient receptor potential channe
l","Phosphodiesterase 1","Cytochrome P450 family 3A","CMGC protein kinase group","Short peptide receptor (family A GPCR)","Cytochrome P450 family 2C","Nucleotide-like receptor (family A GPCR)","SLC28 
and SLC29 families of nucleoside transporters","Monoamine receptor","Voltage-gated potassium channel","ABCB subfamily","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Atypical protein kinase 
group","ABCG subfamily","ABCC subfamily","Phosphodiesterase 1A","Phosphodiesterase 1B","Cytochrome P450 3A4","CMGC protein kinase MAPK family","Neuropeptide receptor","Cytochrome P450 2C9","Adenosine 
receptor","SLC29 Facilitative nucleoside transporter family","Adrenergic receptor","Cytochrome P450 2C8","Cytochrome P450 2C19","Cytochrome P450 1A1","Cytochrome P450 2D6","Atypical protein kinase PIK
K family","Acetylcholine receptor","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily","Glycohormone receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Cytochrome P450","Kinases (EC 2.7.x.x)","G protein-coupled receptors","SLC superfamily of solute carriers","Voltage-gated ion channels","ATP-binding cas
sette transporter family","Cyclic nucleotide turnover/signalling","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Neuropeptide S receptor","CYP2 family: drug metabolising subset","Adeno
sine receptors","SLC28 and SLC29 families of nucleoside transporters","Potassium channels","ABCB subfamily","CYP1 family",Atypical,"Voltage-gated calcium channels","ABCG subfamily","Transient Receptor
 Potential channels","ABCC subfamily",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)",Adrenoceptors,"Acetylcholine receptors (muscarinic)","Mitogen-activated protein kinases (MAP kinases)","SLC29 
family","Voltage-gated potassium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily","Glycoprotein hormone receptors"}

> <pathway_reactome>
{"DNA Repair",Metabolism,"Cell Cycle","Vesicle-mediated transport","Neuronal System","Developmental Biology","Immune System",Disease,"Transport of small molecules","Signal Transduction","Gene expressi
on (Transcription)",Hemostasis,"Cellular responses to external stimuli","DNA Double-Strand Break Repair","Metabolism of lipids",Mitotic,"Membrane Trafficking","Transmission across Chemical Synapses","
Nervous system development","Innate Immune System","Infectious disease","Metabolism of carbohydrates","Biological oxidations","SLC-mediated transmembrane transport","Potassium Channels","Signaling by 
GPCR","Abacavir transport and metabolism","RNA Polymerase II Transcription","Ion channel transport","Platelet activation","signaling and aggregation","Intracellular signaling by second messengers","Cy
tokine Signaling in Immune system","Cellular responses to stress","Cell Cycle Checkpoints","Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic G1 phase and 
G1/S transition","trans-Golgi Network Vesicle Budding","Neurotransmitter receptors and postsynaptic signal transmission","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Toll-like Rec
eptor Cascades","Leishmania infection","M Phase","Glucose metabolism","Phase I - Functionalization of compounds","Transport of vitamins",nucleosides,"and related molecules","Voltage gated Potassium ch
annels","GPCR ligand binding","Metabolism of steroids","Abacavir transmembrane transport","Generic Transcription Pathway","Axon guidance","Stimuli-sensing channels","Response to elevated platelet cyto
solic Ca2+","DAG and IP3 signaling","Signaling by Interleukins","Cellular response to hypoxia","Platelet Aggregation (Plug Formation)","G1/S DNA Damage Checkpoints","HDR through Homologous Recombinati
on (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","G1/S Transition","Golgi Associated Vesicle Biogenesis","Activation of NMDA receptors and postsynaptic events","Toll Like 
Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase",Gluconeogenesis,"Cytochrome P450 - arranged by substrate type","Transport of nucleosides and free 
purine and pyrimidine bases across the plasma membrane","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","Transcriptional Regulation by TP53","NCAM signaling for neurite out
-growth","TRP channels","Platelet degranulation","CaM pathway","Interleukin-1 family signaling","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","p53-Dependent G1/S DNA damag
e checkpoint","HDR through Homologous Recombination (HRR)","Biosynthesis of maresins","Activation of the pre-replicative complex","Post NMDA receptor activation events","MyD88 cascade initiated on pla
sma membrane","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase",Xenobiotics,"Fatty acids","Nucleotide-like (purinergic) receptors","Synthesis of bile acids and bi
le salts","Regulation of TP53 Activity","NCAM1 interactions","Calmodulin induced events","Amine ligand-binding receptors","Interleukin-1 signaling","p53-Dependent G1 DNA Damage Response","Homologous D
NA Pairing and Strand Exchange","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","MAP kinase activation","ADORA2B mediated anti-inflammatory cytokines production","Nuclear
 Envelope (NE) Reassembly","CYP2E1 reactions","Adenosine P1 receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Aromatic amines can be N-hydroxylated or N-dealkylated by
 CYP1A2","Regulation of TP53 Expression and Degradation","Cam-PDE 1 activation",Adrenoceptors,"Muscarinic acetylcholine receptors","CREB1 phosphorylation through NMDA receptor-mediated activation of R
AS signaling","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Stabilization of p53","Presynaptic phase of homologous DNA pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinase
s","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","Ras activation upon Ca2+ influx through NMDA receptor","Autodegradation of the E3 ubiquitin ligase COP1","ERK/MAP
K targets","ERKs are inactivated"}

> <broad_targets>
{ADORA3}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{"NICARDIPINE HYDROCHLORIDE",54527-84-3,54527843,"Nicardipine HCl",Perdipine,Loxen,Nicodel,YC-93,YC93,"Nicardipine (Hydrochloride)","YC-93 hydrochloride","YC93 hydrochloride",RS-69216,RS69216,RS-69216
-XX-07-0,RS69216XX070,MLS000069782,Lincil,Dagan,"Cardene SR",MFCD00057327,Angioglebil,Bionicard,Nic,SAM002564254,CPD001456372}

> <pdid>
PD009884

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{41114}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 31  0  0  0  0            999 V2000
   15.1876   -3.0043    0.0000 H   0  3
   12.6876   -3.0043    0.0000 H   0  3
   10.1876   -3.0043    0.0000 Cl  0  5
    7.6876   -3.0043    0.0000 Cl  0  5
    3.8756   -9.7579    0.0000 C   0  0
    3.8808   -8.2579    0.0000 N   0  0
    5.1824   -7.5124    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -2.5976   -6.0017    0.0000 F   0  0
    0.0003   -6.0004    0.0000 F   0  0
   -1.2983   -6.7508    0.0000 F   0  0
    2.5895   -6.0034    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 13  1  0
 26 21  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
  9 31  1  0
 31 32  1  0
 32  6  1  0
M  CHG  4   1   1   2   1   3  -1   4  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15397

> <plate>
PLATE 002

> <well>
C3

> <supplier_cmpd_name>
Trifluoperazine dihydrochloride

> <ctcr_id>
3119

> <supplier_cmpd_id>
T1222

> <smiles>
[H+].[H+].[Cl-].[Cl-].CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1

> <pd_targets>
{NS3,SIGMAR1,LMNA,MAPT,ALDH1A1,CHRM1,THPO,CYP2D6,CYP1A2,ADRA1A,ADRA1B,ADRA1D,NFKB1,FFP,CYP3A4,NFO,DRD2,HTR2C,CHRM2,HRH1,HTR2A,CHRM3,DRD4,HTR1A,CALM,POLB,GMNN,TPR,ADRA2A,HTR7,HTR6,ADRA2C,WDR48,GUSB,ATP
2A1,ERG2,LEF,ABCB1,EBP,CALM1,KMT2A,MEN1,CYP2C19,MAPK1,ALB,DRD3,EBPL,ALOX15,TP53,LYZ1,HTR2B,HSD17B10,PDR5,ADRA2B,TSHR,PRKCZ,USP1,RAD52,SCN1A,SCN2A,SCN3A,KDM4E,RORC,NPSR1,HTT,PMP22,MTOR,PRKDC,KCNH2,CALY
,S100A4}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein","Other cytosolic protein","Unclassified protein",Transporter,"Epigenetic regulator","Secreted protein","Transcription factor","Ion channel",Protease
,Oxidoreductase,"Family A G protein-coupled receptor","Cytochrome P450",Transferase,Hydrolase,"Primary active transporter",Isomerase,Reader,Kinase,"Voltage-gated ion channel",Eraser,"Nuclear receptor"
,"Serine protease","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 3","P-type ATPase","Metallo protease","ATP-binding cassette",
Bromodomain,"Protein Kinase","Peptide receptor (family A GPCR)","Cysteine protease","Voltage-gated sodium channel","Lysine demethylase","Nuclear hormone receptor subfamily 1","Potassium channels","Ser
ine protease PA clan","Monoamine receptor","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Calcium ATPase","Metallo protease MAE clan","ABCB subfamily","Cytochrome
 P450 family 2C","CMGC protein kinase group","Glycohormone receptor","AGC protein kinase group","Cysteine protease CA clan","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","
Short peptide receptor (family A GPCR)","Atypical protein kinase group","Voltage-gated potassium channel","Serine protease S29 family","Acetylcholine receptor","Cytochrome P450 2D6","Cytochrome P450 1
A1","Adrenergic receptor","Cytochrome P450 3A4","Dopamine receptor","Serotonin receptor","Histamine receptor","Metallo protease M34 family","Cytochrome P450 2C19","CMGC protein kinase MAPK family","AG
C protein kinase PKC family","Cysteine protease C19 family","Nuclear hormone receptor subfamily 1 group F member 3","Neuropeptide receptor","Atypical protein kinase PIKK family","CMGC protein kinase E
RK1","AGC protein kinase PKC iota subfamily","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{"Other protein targets",Receptors,Enzymes,Transporters,"Ion channels","Sigma receptors","G protein-coupled receptors","Cytochrome P450","P-type ATPases","ATP-binding cassette transporter family","Kin
ases (EC 2.7.x.x)","Eicosanoid turnover","Chromatin modifying enzymes","Nuclear hormone receptors","Voltage-gated ion channels","Acetylcholine receptors (muscarinic)","CYP2 family: drug metabolising s
ubset","CYP1 family","CYP3 family","Dopamine receptors","5-Hydroxytryptamine receptors","Histamine receptors",Adrenoceptors,"P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","ABCB subfamily","CMGC: Contai
ning CDK",MAPK,GSK3,"CLK families",Lipoxygenases,"Glycoprotein hormone receptors","AGC: Containing PKA",PKG,"PKC families","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","Neurope
ptide S receptor",Atypical,"Potassium channels","Mitogen-activated protein kinases (MAP kinases)","Protein kinase C (PKC) family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Volta
ge-gated potassium channels","ERK subfamily","Iota subfamily","FRAP subfamily","Other PIKK family kinases"}

> <pathway_reactome>
{Disease,"Cell Cycle","Neuronal System",Metabolism,"Signal Transduction",Hemostasis,"Immune System","DNA Repair","Gene expression (Transcription)","Developmental Biology","Muscle contraction","Infecti
ous disease",Mitotic,"Transmission across Chemical Synapses","Biological oxidations","Signaling by GPCR","Platelet activation","signaling and aggregation","Cytokine Signaling in Immune system","Metabo
lism of lipids","Base Excision Repair","Diseases of signal transduction by growth factor receptors and second messengers","Diseases of metabolism","Platelet homeostasis","Abacavir transport and metabo
lism","Innate Immune System","Cell Cycle Checkpoints","Metabolism of amino acids and derivatives","Signaling by Nuclear Receptors","DNA Double-Strand Break Repair","RNA Polymerase II Transcription","N
ervous system development","Cardiac conduction","SARS-CoV Infections","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","GPCR ligan
d binding","Platelet Aggregation (Plug Formation)","Signaling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","Resolution of Abasic Sites (AP sites)","Mitotic G1 phase and
 G1/S transition","Leishmania infection","Signaling by PDGFR in disease","Diseases of carbohydrate metabolism","Platelet calcium homeostasis","Uptake and actions of bacterial toxins","Abacavir transme
mbrane transport","Metabolism of steroids","Toll-like Receptor Cascades","G1/S DNA Damage Checkpoints","Branched-chain amino acid catabolism","ESR-mediated signaling","Homology Directed Repair","Gener
ic Transcription Pathway","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Cytosolic sensors of pathogen-associated DNA","Phase 3 - rapid repolarisation","Potential therapeutics for S
ARS","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","
Interleukin-1 family signaling","Biosynthesis of DHA-derived SPMs","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","G1/S Transition","Leishmania parasite growth and surv
ival","Signaling by cytosolic PDGFRA and PDGFRB fusion proteins",Mucopolysaccharidoses,"Reduction of cytosolic Ca++ levels","Uptake and function of anthrax toxins","Cholesterol biosynthesis","Toll Lik
e Receptor 5 (TLR5) Cascade","Bile acid and bile salt metabolism","Biosynthesis of DPA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Extra-nuclear estrogen signaling","HDR through Homologo
us Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3","Transcriptional Regulation by MECP2","Transcriptional Regulation by TP53","STING mediated induction of h
ost immune responses","Mitotic Anaphase","Post NMDA receptor activation events","Amine ligand-binding receptors",Xenobiotics,"Interleukin-1 signaling","Biosynthesis of maresins","PCNA-Dependent Long P
atch Base Excision Repair","Activation of the pre-replicative complex","Anti-inflammatory response favouring Leishmania parasite infection","MPS VII - Sly syndrome","Cholesterol biosynthesis via desmo
sterol","MyD88 cascade initiated on plasma membrane","Recycling of bile acids and salts","Biosynthesis of DPAn-3 SPMs","p53-Dependent G1 DNA Damage Response","Estrogen-stimulated signaling through PRK
CZ","HDR through Single Strand Annealing (SSA)","RUNX3 Regulates Immune Response and Cell Migration","Regulation of MECP2 expression and activity","Regulation of TP53 Activity","IRF3-mediated inductio
n of type I IFN","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Muscarinic acetylcholine receptors","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealky
lated by CYP1A2","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Dopamine receptors","Serotonin receptors","Histamine receptors",Adrenoceptors,"ADORA2B mediated anti-
inflammatory cytokines production","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","MAP kinase activation","Biosynthesis of DPAn-3-derived protectins and resolvins",
"Stabilization of p53","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Ras activation upon Ca2+ influx through NMDA receptor","MAPK targets/ Nuclear 
events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ADRA1A,CALM1,CALY,DRD2,DRD4,HRH1,HTR2A,HTR2C,S100A4,TNNC1}

> <broad_moa>
{"dopamine receptor antagonist"}

> <synonyms>
{RESTW31,"Trifluoperazine dihydrochloride",440-17-5,440175,"Trifluoperazine hydrochloride","Trifluoperazine 2HCl",Stelazine,Terfluzine,"Trifluoperazine HCl",Triphthazine,Eskazinyl,Jatroneural,Triftazi
n,Tryptazine,Trazine,Fluoperazine,Eskazine,Trifluoroperazin,1500591,Prestw-313,"TRIFLUOPERAZINE HYDROCHLORIDE"}

> <pdid>
PD003626

> <targets>
{}

> <classes>
{antipsychotic}

> <pubchem_cids>
{66064,15301951,25137853}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -3.9027    5.2517    0.0000 C   0  0
   -5.2032    5.9990    0.0000 C   0  0
   -6.5007    5.2464    0.0000 C   0  0
   -6.4977    3.7464    0.0000 C   0  0
   -5.1971    2.9990    0.0000 C   0  0
   -7.8036    5.9914    0.0000 N   0  3
   -7.8092    7.4914    0.0000 O   0  5
   -9.1000    5.2370    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 21 23  2  0
M  CHG  2  21   1  22  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15398

> <plate>
PLATE 002

> <well>
C4

> <supplier_cmpd_name>
Sulfanitran

> <ctcr_id>
316

> <supplier_cmpd_id>
T1248

> <smiles>
CC(=O)Nc1ccc(cc1)[S](=O)(=O)Nc2ccc(cc2)[N+]([O-])=O

> <pd_targets>
{RORC,ALDH1A1,CYP3A4,HPGD,KDM4E,KMT2A,MEN1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Epigenetic regulator","Nuclear receptor",Oxidoreductase,"Cytochrome P450",Eraser,Reader,"Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Lysine demeth
ylase",Bromodomain,"Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Cytochrome P450","Eicosanoid turnover","Chromatin modifying enzymes","1F. Retinoic acid-related orphans","CYP3 family","Prostaglandin synthases","1.14.1
1.- Histone demethylases"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"RNA Polymerase II Transcription","Biological oxidations","Metabolism of lipids","Generic Transcription Pathway","Phase I - Functionalization of compounds
","Biosynthesis of specialized proresolving mediators (SPMs)","Transcriptional regulation by RUNX3","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","RUNX3 Regulates Immune Response and Cell Mig
ration","Biosynthesis of maresins","Biosynthesis of D-series resolvins","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{122-16-7,122167,122_16_7,"122 16 7",APNPS,N-(4-((4-nitrophenyl)sulfamoyl)phenyl)acetamide,N(4((4nitrophenyl)sulfamoyl)phenyl)acetamide,N_(4_((4_nitrophenyl)sulfamoyl)phenyl)acetamide,"N (4 ((4 nitrop
henyl)sulfamoyl)phenyl)acetamide",UNII-QT35T5T35Q,UNIIQT35T5T35Q,UNII_QT35T5T35Q,"UNII QT35T5T35Q","component of Novastat","component of Polystat","NSC 77120","NSC 217299",N(sup4)-Acetyl-4'-nitrosulfa
nilanilide,N(sup4)Acetyl4'nitrosulfanilanilide,N(sup4)_Acetyl_4'_nitrosulfanilanilide,"N(sup4) Acetyl 4' nitrosulfanilanilide",4'-((p-Nitrophenyl)sulfamoyl)acetanilide,4'((pNitrophenyl)sulfamoyl)aceta
nilide,4'_((p_Nitrophenyl)sulfamoyl)acetanilide,"4' ((p Nitrophenyl)sulfamoyl)acetanilide",T1248,1503339,Sulfanitran,SULFANITRAN}

> <pdid>
PD000996

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5334}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8056   -3.8679    0.0000 N   0  0
    3.3372   -5.2929    0.0000 C   0  0
    1.8372   -5.2877    0.0000 C   0  0
    1.3786   -3.8595    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
    2.5981    1.5000    0.0000 Cl  0  0
    6.3056   -1.8963    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
  1  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  1  1  0
 12 13  1  0
  8 14  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15399

> <plate>
PLATE 002

> <well>
C5

> <supplier_cmpd_name>
Clonidine hydrochloride

> <ctcr_id>
11033

> <supplier_cmpd_id>
T1247

> <smiles>
c1(NC2=NCCN2)c(cccc1Cl)Cl.Cl

> <pd_targets>
{LMNA,ADRA2A,BLM,NPSR1,ADRA2B,ADRA2C,NISCH,ADRA1A,HIF1A,ADRA1B,ADRA1D,HTR7,MAOB,MAOA,IMPA1,CYP2C9,CHRM1,ADRB1,DRD2,SLC6A2,HCN1,SLC22A1,KMT2A,MEN1,CYP2D6,HCN4,HCN2,CYP2C19,HTR1A,SLC22A3,SLC47A1}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor",Enzyme,"Other cytosolic protein","Transcription factor",Transporter,"Ion channel","Epigenetic regulator","Family A G protein-coupled receptor",Oxidoreducta
se,Protease,Hydrolase,"Cytochrome P450","Electrochemical transporter","Voltage-gated ion channel",Reader,"Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Cysteine protease
","Cytochrome P450 family 2","SLC superfamily of solute carriers","Cyclic nucleotide-regulated channel",Bromodomain,"Monoamine receptor","Short peptide receptor (family A GPCR)","Cysteine protease CA 
clan","Cytochrome P450 family 2C","SLC06 neurotransmitter transporter family","SLC22 family of organic cation and anion transporters","Cytochrome P450 family 2D","SLC47 family of multidrug and toxin e
xtrusion transporters","Adrenergic receptor","Neuropeptide receptor","Serotonin receptor","Cysteine protease C1A family","Cytochrome P450 2C9","Acetylcholine receptor","Dopamine receptor","Cytochrome 
P450 2D6","Cytochrome P450 2C19"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Ion channels","G protein-coupled receptors","Catecholamine turnover","Inositol phosphate turnover","Cytochrome P450","SLC superfamily of solute carriers","Voltage-gate
d ion channels",Adrenoceptors,"Neuropeptide S receptor","5-Hydroxytryptamine receptors","Inositol monophosphatase","CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)","Dopam
ine receptors","SLC6 neurotransmitter transporter family","Cyclic nucleotide-regulated channels","SLC22 family of organic cation and anion transporters","SLC47 family of multidrug and toxin extrusion 
transporters","Monoamine transporter subfamily","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction","DNA Repair",Disease,"Cellular responses to external stimuli",Metabolism,"Neuronal System","Transport of small molecules",Mitotic,"Signaling by GPCR","DNA Double-St
rand Break Repair","Infectious disease","Cellular responses to stress","Biological oxidations","Inositol phosphate metabolism","Disorders of transmembrane transporters","Potassium Channels","SLC-media
ted transmembrane transport","M Phase","GPCR ligand binding","Homology Directed Repair","Leishmania infection","Cellular response to hypoxia","Phase I - Functionalization of compounds","Synthesis of I
P2",IP,"and Ins in the cytosol","SLC transporter disorders","HCN channels","Transport of bile salts and organic acids","metal ions and amine compounds","Mitotic Metaphase and Anaphase","Class A/1 (Rho
dopsin-like receptors)","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-induc
ible Factor Alpha","Amine Oxidase reactions","Cytochrome P450 - arranged by substrate type","Defective SLC6A2 causes orthostatic intolerance (OI)","Organic cation/anion/zwitterion transport","Mitotic 
Anaphase","Amine ligand-binding receptors","HDR through Homologous Recombination (HRR)","Anti-inflammatory response favouring Leishmania parasite infection","Biogenic amines are oxidatively deaminated
 to aldehydes by MAOA and MAOB",Xenobiotics,"Organic cation transport","Nuclear Envelope (NE) Reassembly",Adrenoceptors,"Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammatory
 cytokines production","CYP2E1 reactions","Muscarinic acetylcholine receptors","Dopamine receptors","Serotonin receptors","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homolo
gous DNA pairing and strand exchange"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C}

> <broad_moa>
{"adrenergic receptor agonist"}

> <synonyms>
{"CLONIDINE HYDROCHLORIDE",4205-91-8,4205918,"Clonidine HCl","2-(2,6-Dichloroanilino)-2-imidazoline hydrochloride","2(2,6Dichloroanilino)2imidazoline hydrochloride",Kapvay,"N-(2,6-dichlorophenyl)-4,5-
dihydro-1H-imidazol-2-amine hydrochloride","N(2,6dichlorophenyl)4,5dihydro1Himidazol2amine hydrochloride",Catapresan,ST-155,ST155,"clonidine (hydrochloride)",T1247,"Clonidine hydrochloride"}

> <pdid>
PD009910

> <targets>
{"¦Á2-adrenergic receptor"}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{20179}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 65 72  0  0  1  0            999 V2000
    2.3980    5.1974    0.0000 C   0  0
    1.0617    4.5159    0.0000 C   0  0
   -0.2000    5.2900    0.0000 C   0  0  2  0  0  0
   -0.2341    6.7896    0.0000 O   0  0
   -0.2000    4.0900    0.0000 C   0  0
   -1.2300    3.5100    0.0000 C   0  0  2  0  0  0
   -2.2500    4.0900    0.0000 C   0  0
   -2.2500    5.2900    0.0000 N   0  0
   -3.9200    5.5000    0.0000 C   0  0
   -5.4100    4.7800    0.0000 C   0  0
   -5.7000    3.1300    0.0000 C   0  0
   -4.9700    1.7900    0.0000 C   0  0
   -6.0100    0.6800    0.0000 N   0  0
   -7.4000    1.3200    0.0000 C   0  0
   -8.8100    0.7400    0.0000 C   0  0
  -10.0200    1.6700    0.0000 C   0  0
   -9.8300    3.1800    0.0000 C   0  0
   -8.4200    3.7700    0.0000 C   0  0
   -7.2000    2.8400    0.0000 C   0  0
   -3.3800    1.2800    0.0000 C   0  0  1  0  0  0
   -1.8700    1.9700    0.0000 C   0  0
   -4.3011    0.1350    0.0000 C   0  0
   -5.7734    0.4218    0.0000 O   0  0
   -3.8135   -1.2844    0.0000 O   0  0
   -4.7977   -2.4164    0.0000 C   0  0
   -2.3301    0.2513    0.0000 C   0  0
   -2.7110   -1.1720    0.0000 C   0  0
   -1.6165   -2.2180    0.0000 C   0  0
   -0.2693   -1.8150    0.0000 C   0  0
    0.1414   -0.3694    0.0000 C   0  0
   -0.9061    0.6597    0.0000 C   0  0
   -0.5303    2.1129    0.0000 O   0  0
    0.4332    2.3808    0.0000 C   0  0
    0.6269   -3.0200    0.0000 N   0  0
    2.1244   -3.0533    0.0000 C   0  0
    2.8460   -4.3683    0.0000 O   0  0
   -0.2779   -4.1651    0.0000 C   0  0  1  0  0  0
   -0.0140   -5.6041    0.0000 C   0  0  2  0  0  0
    1.0936   -4.5926    0.0000 O   0  0
   -1.1529   -6.6124    0.0000 C   0  0  2  0  0  0
   -0.8799   -8.0880    0.0000 O   0  0
    0.5342   -8.5906    0.0000 C   0  0
    1.2952   -7.9418    0.0000 C   0  0
    0.8068  -10.0656    0.0000 O   0  0
   -2.5335   -6.1188    0.0000 C   0  0  2  0  0  0
   -2.2630   -7.5946    0.0000 C   0  0
   -3.0242   -8.2431    0.0000 C   0  0
   -3.6287   -7.0542    0.0000 C   0  0
   -5.0406   -6.5494    0.0000 C   0  0
   -5.3459   -4.5824    0.0000 C   0  0
   -4.0445   -3.8623    0.0000 N   0  0
   -3.7291   -2.4358    0.0000 C   0  0
   -2.2452   -2.2939    0.0000 C   0  0
   -1.6741   -3.6659    0.0000 C   0  0  2  0  0  0
   -2.8019   -4.6427    0.0000 C   0  0  2  0  0  0
    0.2302   -7.0636    0.0000 C   0  0
    1.1755   -7.3898    0.0000 O   0  0
   -0.9029   -8.0479    0.0000 O   0  0
   -0.6181   -9.5206    0.0000 C   0  0
   -1.2300    5.8900    0.0000 C   0  0
    8.2352    0.9101    0.0000 O   0  0
    8.2352   -0.5899    0.0000 S   0  0
    8.2352   -2.0899    0.0000 O   0  0
    6.9359   -1.3395    0.0000 O   0  0
    9.5344   -1.3395    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 14  1  0
 12 20  1  0
 20 21  1  0
 21  6  1  0
 20 22  1  1
 22 23  2  0
 22 24  1  0
 24 25  1  0
 20 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 31 32  1  0
 32 33  1  0
 29 34  1  0
 34 35  1  0
 35 36  2  0
 37 34  1  1
 37 38  1  0
 38 39  1  6
 38 40  1  0
 40 41  1  6
 41 42  1  0
 42 43  1  0
 42 44  2  0
 40 45  1  0
 45 46  1  1
 46 47  1  0
 45 48  1  0
 48 49  2  3
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 54 53  1  6
 54 28  1  0
 54 37  1  0
 54 55  1  0
 55 45  1  0
 55 51  1  6
 38 56  1  0
 56 57  2  0
 56 58  1  0
 58 59  1  0
  8 60  1  0
 60  3  1  0
 61 62  1  0
 62 63  1  0
 62 64  2  0
 62 65  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15400

> <plate>
PLATE 002

> <well>
C6

> <supplier_cmpd_name>
Vincristine sulfate

> <ctcr_id>
4962

> <supplier_cmpd_id>
T1270

> <smiles>
CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(C)=O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.O[S](O)(=O)=O

> <pd_targets>
{NR5A1,NR0B1,TUBB5,TUBA4A,MAPT,HIF1A,RORC,GAA,LMNA,TUBB2B,TUBA1A,SLCO1B3,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBB,TUBB1,TUBB2A,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,HTT,SLCO1B1,ABCC1,ALDH1A1,KMT2A,MEN1,BLM,NPSR1,NF
O,PMP22,NS1,GMNN,MTOR}

> <pathway_gtopdb>
{"Transcription factor","Structural protein","Other cytosolic protein",Enzyme,"Other nuclear protein",Transporter,"Unclassified protein","Nuclear receptor",Hydrolase,"Electrochemical transporter","Pri
mary active transporter","Nuclear hormone receptor subfamily 5","Nuclear hormone receptor subfamily 0","Nuclear hormone receptor subfamily 1","SLC superfamily of solute carriers","ATP-binding cassette
","Nuclear hormone receptor subfamily 5 group A","Nuclear hormone receptor subfamily 0 group B","Nuclear hormone receptor subfamily 1 group F","SLC21/SLCO family of organic anion transporting polypept
ides","ABCC subfamily","Nuclear hormone receptor subfamily 5 group A member 1","Nuclear hormone receptor subfamily 0 group B member 1","Nuclear hormone receptor subfamily 1 group F member 3","Epigenet
ic regulator","Membrane receptor",Oxidoreductase,Reader,"Family A G protein-coupled receptor",Protease,Kinase,Bromodomain,"Peptide receptor (family A GPCR)","Cysteine protease","Protein Kinase","Short
 peptide receptor (family A GPCR)","Cysteine protease CA clan","Atypical protein kinase group","Neuropeptide receptor","Cysteine protease C1A family","Atypical protein kinase PIKK family","Atypical pr
otein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,"Other protein targets",Enzymes,Transporters,"Nuclear hormone receptors",Tubulins,"3.2.1.- Glycosidases","SLC superfamily of solute carriers","ATP-binding cassette transporter family","5A. 
Fushi tarazu F1-like receptors","0B. DAX-like receptors","1F. Retinoic acid-related orphans","SLCO family of organic anion transporting polypeptides","ABCC subfamily","G protein-coupled receptors","Ki
nases (EC 2.7.x.x)","Neuropeptide S receptor",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)","Cell Cycle","Neuronal System","Cellular responses to external stimuli",Disease,Metabolism,"Post-translational protein modification","RNA Po
lymerase II Transcription",Mitotic,"Transmission across Chemical Synapses","Cellular responses to stress","Diseases of metabolism","Metabolism of lipids",SUMOylation,"Generic Transcription Pathway","M
itotic G2-G2/M phases","Neurotransmitter receptors and postsynaptic signal transmission","Cellular response to hypoxia","Diseases of carbohydrate metabolism","M Phase","Metabolism of steroids","Fatty 
acid metabolism","SUMO E3 ligases SUMOylate target proteins","Nuclear Receptor transcription pathway","G2/M Transition","Activation of NMDA receptors and postsynaptic events","Oxygen-dependent proline
 hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional regulation by RUNX3","Glycogen storage diseases","Mitotic Metaphase and Anaphase","Bile acid and bile salt metabolism","Transcription
al Regulation by MECP2","Arachidonic acid metabolism","SUMOylation of intracellular receptors","Centrosome maturation","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell 
Migration","Glycogen storage disease type II (GAA)","Mitotic Anaphase","Recycling of bile acids and salts","Regulation of MECP2 expression and activity","Synthesis of Leukotrienes (LT) and Eoxins (EX)
","Loss of proteins required for interphase microtubule organization from the centrosome","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Loss of Nlp from mitotic centros
omes","Initiation of Nuclear Envelope (NE) Reformation","DNA Repair","Developmental Biology","Biological oxidations","DNA Double-Strand Break Repair","Infectious disease","Nervous system development",
"Phase I - Functionalization of compounds","Homology Directed Repair","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Mitotic G1 phase and G1/S transition","Et
hanol oxidation","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","G1/S Transition","Transcriptional Regulation by TP53","HDR thr
ough Homologous Recombination (HRR)","Anti-inflammatory response favouring Leishmania parasite infection","Activation of the pre-replicative complex","Regulation of TP53 Activity","Homologous DNA Pair
ing and Strand Exchange","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Presynaptic phase of homologous DNA pairing and strand exchange","Re
gulation of TP53 Degradation"}

> <broad_targets>
{TUBA4A,TUBB}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{"Vincristine sulfate",Oncovin,"Vincristine sulfate salt",2068-78-2,2068782,"Vincristine sulphate","Vincristine (sulfate)",UNII-T5IRO3534A,UNIIT5IRO3534A,C46H58N4O14S,Vincrex,Onkovin,Vincrisul,MLS0008
63277,T5IRO3534A,"VCR sulfate",Marqibo,SMR000058540,Lill,SAM001246570,CPD000058540}

> <pdid>
PD003310

> <targets>
{Apoptosis,Microtubule/Tubulin}

> <classes>
{Apoptosis,Cell Cycle/DNA Damage,Cytoskeleton}

> <pubchem_cids>
{5388992}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 17 18  0  0  1  0            999 V2000
    3.9200   -5.8774    0.0000 O   0  0
    4.8054   -4.6666    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0  1  0  0  0
    2.7343   -2.9815    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0  1  0  0  0
    4.2566    0.5871    0.0000 O   0  0
    4.9531   -1.9978    0.0000 C   0  0  2  0  0  0
    6.4451   -1.8434    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  3  1  0
  8  9  1  6
  5 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 10  1  0
 16 17  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15401

> <plate>
PLATE 002

> <well>
C7

> <supplier_cmpd_name>
Cytarabine

> <ctcr_id>
910

> <supplier_cmpd_id>
T1272

> <smiles>
OC[C@H]1OC([C@@H](O)[C@@H]1O)N2C=CC(=N)NC2=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Arabinofuranosylcytosine,Aracytidine,Cytarabina,Cytarabinoside,Spongocytidine,Arabitin,Aracytin,Aracytine,Arafcyt,Cytarabin,Depocyt,Erpalfa,3083-52-1,3083521,Alexan,Iretin,"Arabinoside C",Arabinosylc
ytosine,"Cytosine arabinose","Depocyt (liposomal)",C,1500217,CYTARABINE}

> <pdid>

> <targets>
{}

> <classes>
{antineoplastic,antiviral,antimetabolite}

> <pubchem_cids>
{114682}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 27  0  0  1  0            999 V2000
    2.8072    3.3475    0.0000 C   0  0
    1.3212    3.5516    0.0000 O   0  0
    0.4000    2.3700    0.0000 C   0  0
   -1.3200    2.3700    0.0000 C   0  0
   -1.8800    1.2700    0.0000 C   0  0  2  0  0  0
   -1.8800   -1.6000    0.0000 C   0  0  2  0  0  0
   -0.4900   -1.3900    0.0000 C   0  0
    0.6400   -1.9000    0.0000 C   0  0
    2.1400   -2.0600    0.0000 C   0  0
    3.0300   -0.8600    0.0000 C   0  0
    2.4400    0.5100    0.0000 C   0  0
    3.3408    1.7104    0.0000 O   0  0
    4.8301    1.5314    0.0000 C   0  0
    0.9400    0.6800    0.0000 C   0  0
    0.5439    1.5982    0.0000 O   0  0
    0.0400   -0.5200    0.0000 C   0  0
   -1.3800    0.0000    0.0000 C   0  0  1  0  0  0
   -2.6800   -0.9700    0.0000 C   0  0
   -3.9200   -1.1100    0.0000 C   0  0
   -2.9700   -2.4500    0.0000 N   0  0
   -3.1881   -3.9341    0.0000 C   0  0
    0.2000    0.0000    0.0000 C   0  0
    0.8600    1.1200    0.0000 C   0  0
    1.8560    1.0302    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  5  4  1  1
  5  6  1  0
  6  7  1  6
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 11 14  1  0
 14 15  1  0
 14 16  2  0
 16  8  1  0
 17 16  1  1
 17  5  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20  6  1  0
 20 21  1  0
 17 22  1  0
 22 23  1  0
 23  3  1  0
 23 24  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15402

> <plate>
PLATE 002

> <well>
C8

> <supplier_cmpd_name>
Sinomenine hydrochloride

> <ctcr_id>
3742

> <supplier_cmpd_id>
T2921

> <smiles>
COC1=C[C@@H]2[C@@H]3Cc4ccc(OC)c(O)c4[C@]2(CCN3C)CC1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"angiogenesis inhibitor"}

> <synonyms>
{Sinomenine,115-53-7,115537,Cucoline,Kukoline,Coculine,"Sabianine A","CCRIS 1550",UNII-63LT81K70N,UNII63LT81K70N,CHEBI:9163,CHEMBL248095,63LT81K70N,SNM,SR-05000002170,SR05000002170,"EINECS 204-094-6",
"EINECS 2040946","BRN 0095280","Sinomenine,(S)","Sinomenine (Cucoline)",Spectrum2_001242,Spectrum2001242,Spectrum2-001242,"Spectrum2 001242",Spectrum3,T2726,T2921,NSC785175,1505253,"Sinomenine hydroch
loride",SINOMENINE}

> <pdid>
PD000544

> <targets>
{Apoptosis,Autophagy,NF-ºB,Opioid Receptor}

> <classes>
{antiinflammatory,LD50 (po) 580 mg/kg,(ip) 285 mg/kg(mouse),analgesic,weak abortifacient,immunosuppressant,Apoptosis,Autophagy,GPCR/G Protein,Neuronal Signaling,NF-ºB}

> <pubchem_cids>
{5459308}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 33  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0  1  0  0  0
   -3.8971    3.7500    0.0000 O   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 C   0  0
   -6.8067    5.2164    0.0000 C   0  0
   -8.2985    5.3732    0.0000 C   0  0  1  0  0  0
   -8.9086    4.0029    0.0000 O   0  0
   -7.7943    2.9999    0.0000 C   0  0
   -7.7942    1.4999    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
   -9.0503    6.6692    0.0000 C   0  0
   -8.3026    7.9695    0.0000 C   0  0
  -10.5503    6.6670    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 11  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 10  1  0
 18 19  1  0
 19 20  2  0
 21 19  1  6
 21  8  1  0
 21 22  1  0
 22  5  2  0
 22 23  1  0
 23 24  2  0
 24  3  1  0
 24 25  1  0
 25 26  1  0
 13 27  1  1
 27 28  1  0
 27 29  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15403

> <plate>
PLATE 002

> <well>
C9

> <supplier_cmpd_name>
Rotenone

> <ctcr_id>
5504

> <supplier_cmpd_id>
T2970

> <smiles>
COc1cc2OC[C@H]3Oc4c5C[C@@H](Oc5ccc4C(=O)[C@H]3c2cc1OC)C(C)=C

> <pd_targets>
{CYP2C19,ALDH1A1,BLM,CYP3A4,CYBA,TSHR,MT-ND1,NDUFAB1,NDUFV1,LMNA,RORC,GMNN,RECQL,TDP1,FTL,PMP22,LEF,POLB,KDM4E,NPSR1,MT-ND4,MAPT,NS1,CYP2C9,HTR6,MTOR,ABCB11,FFP,HPGD,MAPK1}

> <pathway_gtopdb>
{Enzyme,Transporter,"Membrane receptor","Other nuclear protein","Transcription factor","Unclassified protein","Epigenetic regulator","Other cytosolic protein","Cytochrome P450",Oxidoreductase,"Transme
mbrane 1-electron transfer carriers","Family A G protein-coupled receptor","Nuclear receptor",Hydrolase,Protease,Eraser,Kinase,"Primary active transporter",Transferase,"Cytochrome P450 family 2","Cyto
chrome P450 family 3","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Cysteine protease","Metallo protease","Lysine demethylase","Small molecule receptor (family A GPCR)","P
rotein Kinase","ATP-binding cassette","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group F","Cysteine protease CA clan","Metall
o protease MAE clan","Jumonji domain-containing","Short peptide receptor (family A GPCR)","Monoamine receptor","Atypical protein kinase group","ABCB subfamily","CMGC protein kinase group","Cytochrome 
P450 2C19","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F member 3","Cysteine protease C1A family","Metallo protease M34 family","Neuropeptide receptor","Cytochrome P450 2C9","Ser
otonin receptor","Atypical protein kinase PIKK family","CMGC protein kinase MAPK family","Atypical protein kinase FRAP subfamily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Cytochrome P450","G protein-coupled receptors","Nuclear hormone receptors","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","ATP-binding cassette transporter famil
y","Eicosanoid turnover","CYP2 family: drug metabolising subset","CYP3 family","Glycoprotein hormone receptors","1F. Retinoic acid-related orphans","1.14.11.- Histone demethylases","Neuropeptide S rec
eptor","5-Hydroxytryptamine receptors",Atypical,"ABCB subfamily","Prostaglandin synthases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Phosphatidyl inositol 3' kinase-related kinases (PIKK) famil
y","Mitogen-activated protein kinases (MAP kinases)","FRAP subfamily","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"DNA Repair",Disease,"Cell Cycle","Gene expression (Transcription)","Vesicle-mediated transport","Developmental Biology","Neuronal System","Immune System","Biological oxidations","DNA Doub
le-Strand Break Repair","Metabolism of lipids","Infectious disease","The citric acid (TCA) cycle and respiratory electron transport",Mitotic,"RNA Polymerase II Transcription","Membrane Trafficking","N
ervous system development","Base Excision Repair","Transmission across Chemical Synapses","Innate Immune System","Phase I - Functionalization of compounds","Homology Directed Repair","Biosynthesis of 
specialized proresolving mediators (SPMs)","Leishmania infection","Respiratory electron transport","ATP synthesis by chemiosmotic coupling","and heat production by uncoupling proteins.","M Phase","Gen
eric Transcription Pathway","Mitotic G1 phase and G1/S transition","Nonhomologous End-Joining (NHEJ)","trans-Golgi Network Vesicle Budding","EGR2 and SOX10-mediated initiation of Schwann cell myelinat
ion","Uptake and actions of bacterial toxins","Resolution of Abasic Sites (AP sites)","Neurotransmitter receptors and postsynaptic signal transmission","Metabolism of steroids","Toll-like Receptor Cas
cades","Cytochrome P450 - arranged by substrate type","Ethanol oxidation","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Leishmania p
arasite growth and survival","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX3","G1/S Transition","Golgi Associated Vesicle Biogenesis","Uptake and function of anthrax toxins","Res
olution of AP sites via the multiple-nucleotide patch replacement pathway","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation by TP53","Bile acid and bile salt metaboli
sm","Toll Like Receptor 5 (TLR5) Cascade",Xenobiotics,"HDR through Homologous Recombination (HRR)","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Comp
lex I biogenesis","Mitotic Anaphase","RUNX3 Regulates Immune Response and Cell Migration","Activation of the pre-replicative complex","PCNA-Dependent Long Patch Base Excision Repair","Post NMDA recept
or activation events","Regulation of TP53 Activity","Synthesis of bile acids and bile salts","Biosynthesis of D-series resolvins","MyD88 cascade initiated on plasma membrane","CYP2E1 reactions","Homol
ogous DNA Pairing and Strand Exchange","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream o
f NMDARs","Regulation of TP53 Expression and Degradation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAP kinase activation","Presynaptic phase of homologous DNA pairing an
d strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{rotenone,83-79-4,83794,Dactinol,Paraderil,Barbasco,(-)-Rotenone,()Rotenone,Tubatoxin,Derrin,(-)-cis-Rotenone,()cisRotenone,Derris,Rotenon,"Cube root",Nicouline,Rotocide,Noxfish,Ronone,Canex,Deril,"Li
quid Derris",Cube-Pulver,CubePulver,Dri-Kil,DriKil,Rotessenol,Noxfire,Rotefive,Rotefour,Roten,T2970,NSC26258,200013,"NSC 26258",Rotenone,ROTENONE,CUBE}

> <pdid>
PD002240

> <targets>
{Apoptosis,Autophagy,Mitochondrial Metabolism}

> <classes>
{mitochondrial poison,antineoplastic,acaricide,ectoparasiticide,Apoptosis,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{6758}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 14 12  0  0  1  0            999 V2000
    7.5987    0.0016    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0031    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
    5.0987    0.0016    0.0000 H   0  3
  3  2  1  6
  3  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  1  0
  7  8  1  1
  8  9  1  0
  7 10  1  0
 10 11  1  6
 10 12  1  0
 12  3  1  0
 12 13  1  1
M  CHG  2   1  -1  14   1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15404

> <plate>
PLATE 002

> <well>
C10

> <supplier_cmpd_name>
Glucosamine hydrochloride

> <ctcr_id>
4298

> <supplier_cmpd_id>
T2941

> <smiles>
[Cl-].N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O.[H+]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{IL1B}

> <broad_moa>
{"glycosylated protein precursor"}

> <synonyms>
{"glu-cosamine hydrochloride","glucosamine hydrochloride","3h-glucosamine hydrochloride","3hglucosamine hydrochloride",SCHEMBL21212,SPECTRUM1500316,HMS1920B13,Pharmakon1600-01500316,Pharmakon160001500
316,CCG-39600,CCG39600,NSC757051,NSC-757051,T4869,T4884,T0591,T0887,T4812,T0592,1500316,D-(+)-ALLOSE,±-D-Glucose,Alpha-D-galactose,D(+)-Glucose,D-Mannose,Mannose,"GLUCOSAMINE HYDROCHLORIDE"}

> <pdid>
PD159046

> <targets>
{Endogenous Metabolite}

> <classes>
{antiarthritic,Metabolic Enzyme/Protease}

> <pubchem_cids>
{9859210,11031243}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7272    1.1906    0.0000 O   0  0
   -3.6011   -0.0286    0.0000 C   0  0
   -5.0909   -0.1941    0.0000 C   0  0
   -5.9828    1.0130    0.0000 C   0  0
   -5.3833    2.3879    0.0000 C   0  0
   -7.4734    0.8451    0.0000 O   0  0
   -5.6922   -1.5683    0.0000 C   0  0
   -7.1830   -1.7347    0.0000 O   0  0
   -4.8028   -2.7762    0.0000 C   0  0
   -5.4041   -4.1504    0.0000 C   0  0
   -3.3121   -2.6098    0.0000 C   0  0
   -2.4224   -3.8175    0.0000 O   0  0
   -2.7117   -1.2364    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -1.4428   -2.2431    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 11 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  2  0
 21 10  1  0
 21 22  1  0
 22  8  1  0
 22 23  1  0
 22 24  1  0
 24  4  1  0
 24 25  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15405

> <plate>
PLATE 002

> <well>
C11

> <supplier_cmpd_name>
Usnic Acid

> <ctcr_id>
2010

> <supplier_cmpd_id>
T2731

> <smiles>
CC(=O)C1C(=O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3C2(C)C1=O

> <pd_targets>
{KMT2A,MEN1,ALDH1A1,CYP3A4,GAA}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Oxidoreductase,"Cytochrome P450",Protease,Bromodomain,"Cytochrome P450 family 3","Cysteine protease","Cytochrome P450 family 3A","Cysteine protease CA clan","Cyto
chrome P450 3A4","Cysteine protease C1A family",Hydrolase}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family","3.2.1.- Glycosidases"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Metabolism of lipids","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Ethanol oxidation","Biosynthesis of D
HA-derived SPMs","Biosynthesis of maresins","Biosynthesis of maresin-like SPMs",Disease,"Diseases of metabolism","Diseases of carbohydrate metabolism","Glycogen storage diseases","Glycogen storage dis
ease type II (GAA)"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"usnic acid",125-46-2,125462,Usno,usnic-acid,usnicacid,"Usninic acid","1,3(2H,9bH)-Dibenzofurandione, 2,6-diacetyl-7,9-dihydroxy-8,9b-dimethyl-","1,3(2H,9bH)Dibenzofurandione, 2,6diacetyl7,9dihydroxy
8,9bdimethyl",7-Hydroxy-(S)-usnate,7Hydroxy(S)usnate,"L-Usnic acid","LUsnic acid","NSC 8517",NSC5890,2,6-Diacetyl-7,6Diacetyl7,9-dihydroxy-8,9dihydroxy8,9b-dimethyl-1,9bdimethyl1,3(2H,9bH)-dibenzo,9bH
)dibenzo,T2731,"NSC 5890","Usnic Acid","D-Usnic acid"}

> <pdid>
PD002025

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5646}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
    7.7884    1.5181    0.0000 F   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    5.1821    3.0099    0.0000 C   0  0
    6.4772    3.7666    0.0000 O   0  0
    3.8787    3.7539    0.0000 N   0  0
    3.8682    5.2539    0.0000 C   0  0
    2.5640    5.9949    0.0000 C   0  0
    1.2702    5.2360    0.0000 N   0  0
    1.2806    3.7360    0.0000 C   0  0
    2.5847    2.9950    0.0000 C   0  0
   -0.0363    5.9747    0.0000 C   0  0
   -0.0493    7.4746    0.0000 O   0  0
   -1.3297    5.2135    0.0000 C   0  0
   -2.7509    5.2443    0.0000 C   0  0
   -1.9874    3.9532    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17  7  1  0
 17 12  1  0
  5 18  1  0
 18 19  2  0
 19  2  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 25 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 30  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15406

> <plate>
PLATE 002

> <well>
D2

> <supplier_cmpd_name>
Olaparib

> <ctcr_id>
6030

> <supplier_cmpd_id>
T3015

> <smiles>
Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CCN(CC4)C(=O)C5CC5

> <pd_targets>
{PARP10,TNKS2,PARP16,PARP1,PARP3,PARP2,TNKS,PARP12,PARP15,PARP4,PARP6}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases"}

> <pathway_reactome>
{Disease,"Signal Transduction","DNA Repair","Infectious disease","Intracellular signaling by second messengers","Base Excision Repair","SARS-CoV Infections","PIP3 activates AKT signaling","Influenza I
nfection","Resolution of Abasic Sites (AP sites)","SARS-CoV-1 Infection","PTEN Regulation","Influenza Viral RNA Transcription and Replication","Resolution of AP sites via the multiple-nucleotide patch
 replacement pathway","Translation of structural proteins","Regulation of PTEN stability and activity","vRNA Synthesis","POLB-Dependent Long Patch Base Excision Repair","Maturation of nucleoprotein"}

> <broad_targets>
{PARP1,PARP2}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{Olaparib,763113-22-0,763113220,AZD2281,Lynparza,KU-0059436,KU0059436,"AZD 2281",AZD-2281,"Olaparib (AZD2281, Ku-0059436)","Olaparib (AZD2281, Ku0059436)",UNII-WOH1JD9AR8,UNIIWOH1JD9AR8,KU-59436,KU594
36,AZD2281(olaparib),MFCD13185161,WOH1JD9AR8,"Olaparib (AZD-2281)","Olaparib (AZD2281)",C24H23FN4O3,CHEBI:83766,AZ2281,937799-91-2,937799912,O,T3015,753686,S1060,olaparib}

> <pdid>
PD003576

> <targets>
{PARP,Autophagy,Mitophagy}

> <classes>
{Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{23725625}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

102110  0  0  1  0            999 V2000
   16.1899   -3.0393    0.0000 Cl  0  0
   11.1012    8.5251    0.0000 C   0  0
    9.8002    7.7786    0.0000 N   0  0
    8.5020    8.5317    0.0000 C   0  0
    8.5086   10.0325    0.0000 C   0  0
    9.8112   10.7779    0.0000 C   0  0
    9.8179   12.2779    0.0000 C   0  0
   11.1072   10.0226    0.0000 C   0  0
    7.1994    7.7862    0.0000 C   0  0
    5.9034    8.5416    0.0000 O   0  0
    7.1927    6.2854    0.0000 N   0  0
    5.8900    5.5400    0.0000 C   0  0  2  0  0  0
    4.5900    6.2900    0.0000 C   0  0  2  0  0  0
    4.5974    7.7900    0.0000 O   0  0
    3.2600    5.5400    0.0000 C   0  0
    1.9600    6.2900    0.0000 C   0  0
    0.6600    5.5400    0.0000 C   0  0
    0.6600    4.0500    0.0000 C   0  0
   -0.3100    3.1000    0.0000 O   0  0
   -0.5200    1.8300    0.0000 C   0  0
    0.7700    1.0900    0.0000 C   0  0
    0.7700   -0.3800    0.0000 C   0  0
   -0.5200   -1.1200    0.0000 C   0  0
   -1.8200   -0.3800    0.0000 C   0  0
   -3.5700   -1.2400    0.0000 O   0  0
   -3.5700   -2.6300    0.0000 C   0  0
   -4.8800   -3.3900    0.0000 C   0  0
   -4.8800   -4.9100    0.0000 C   0  0
   -3.5700   -5.6700    0.0000 C   0  0
   -2.2700   -4.9100    0.0000 C   0  0
   -2.2700   -3.3900    0.0000 C   0  0
   -0.9689   -2.6435    0.0000 Cl  0  0
   -3.5700   -7.2900    0.0000 C   0  0  1  0  0  0
   -4.8727   -8.0336    0.0000 O   0  0
   -2.0800   -8.1700    0.0000 C   0  0
   -0.7700   -7.3700    0.0000 N   0  0
   -0.7200   -5.6100    0.0000 C   0  0
   -1.5414   -5.0397    0.0000 O   0  0
    0.6600   -5.0500    0.0000 C   0  0
    0.6600   -3.5500    0.0000 N   0  0
    2.0000   -2.8000    0.0000 C   0  0
    3.2803   -3.5816    0.0000 O   0  0
    2.0600   -1.1200    0.0000 C   0  0
    3.3700   -0.3800    0.0000 N   0  0
    3.3700    1.0900    0.0000 C   0  0
    2.5063    1.5941    0.0000 O   0  0
    4.6800    1.8300    0.0000 C   0  0
    6.0006    1.1186    0.0000 C   0  0
    7.2781    1.9063    0.0000 C   0  0
    8.5987    1.1950    0.0000 O   0  0
    7.2489    2.9059    0.0000 N   0  0
    4.5900    3.3200    0.0000 N   0  0
    5.8900    4.0500    0.0000 C   0  0
    6.7530    3.5448    0.0000 O   0  0
    1.9600   -5.8800    0.0000 C   0  0
    3.2600   -5.1500    0.0000 C   0  0
    4.5400   -5.9700    0.0000 C   0  0
    4.5100   -7.4800    0.0000 C   0  0
    5.7992   -8.2468    0.0000 O   0  0
    3.2100   -8.2200    0.0000 C   0  0
    1.9100   -7.3800    0.0000 C   0  0
    3.1700   -9.7500    0.0000 C   0  0
    4.4800  -10.5800    0.0000 C   0  0
    5.7902   -9.8496    0.0000 O   0  0
    4.5000  -12.3900    0.0000 C   0  0
    3.3800  -13.1000    0.0000 C   0  0
    3.4429  -14.5987    0.0000 O   0  0
    2.0200  -12.3900    0.0000 C   0  0
    2.0200  -10.8300    0.0000 C   0  0
    0.7700   -9.8900    0.0000 C   0  0  2  0  0  0
   -0.5400  -10.5100    0.0000 N   0  0
   -2.0200   -9.8900    0.0000 C   0  0
   -3.2542  -10.7425    0.0000 O   0  0
    0.8956   -8.3950    0.0000 C   0  0
    2.2522   -7.7550    0.0000 O   0  0
    0.0741   -7.8249    0.0000 O   0  0
   -1.8200    1.0900    0.0000 C   0  0
   -3.1195    1.8410    0.0000 O   0  0
   -3.1200    3.3418    0.0000 C   0  0  2  0  0  0
   -1.8195    4.0896    0.0000 O   0  0
   -1.8169    5.5896    0.0000 C   0  0
   -0.5142    6.3350    0.0000 C   0  0
   -0.5097    7.3350    0.0000 O   0  0
   -3.1145    6.3419    0.0000 C   0  0  1  0  0  0
   -3.1118    7.8419    0.0000 O   0  0
   -4.4149    5.5943    0.0000 C   0  0  2  0  0  0
   -5.7126    6.3466    0.0000 O   0  0
   -4.4176    4.0943    0.0000 C   0  0  1  0  0  0
   -5.7203    3.3489    0.0000 O   0  0
   -7.0176    4.1036    0.0000 C   0  0  1  0  0  0
   -8.3207    3.3605    0.0000 C   0  0
   -9.6157    4.1174    0.0000 C   0  0  2  0  0  0
  -10.8925    4.9046    0.0000 C   0  0
   -9.5884    2.6176    0.0000 N   0  0
   -9.6078    5.6174    0.0000 C   0  0  2  0  0  0
  -10.9028    6.3742    0.0000 O   0  0
   -8.3048    6.3605    0.0000 C   0  0  2  0  0  0
   -8.2968    7.8605    0.0000 C   0  0
   -7.0097    5.6036    0.0000 O   0  0
    1.9600    3.3200    0.0000 C   0  0
    1.9600    2.3200    0.0000 Cl  0  0
    3.2600    4.0500    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  4  9  1  0
  9 10  2  0
  9 11  1  0
 12 11  1  1
 12 13  1  0
 13 14  1  1
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 31 32  1  0
 29 33  1  0
 33 34  1  6
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  2  0
 41 43  1  0
 43 22  1  0
 43 44  1  0
 44 45  1  0
 45 46  2  0
 45 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  2  0
 49 51  1  0
 47 52  1  0
 52 53  1  0
 53 12  1  0
 53 54  2  0
 39 55  1  0
 55 56  2  0
 56 57  1  0
 57 58  2  0
 58 59  1  0
 58 60  1  0
 60 61  2  0
 61 55  1  0
 60 62  1  0
 62 63  2  0
 63 64  1  0
 63 65  1  0
 65 66  2  0
 66 67  1  0
 66 68  1  0
 68 69  2  0
 69 62  1  0
 69 70  1  0
 70 71  1  0
 71 72  1  0
 72 35  1  0
 72 73  2  0
 70 74  1  6
 74 75  2  0
 74 76  1  0
 24 77  2  0
 77 20  1  0
 77 78  1  0
 79 78  1  1
 79 80  1  0
 80 81  1  0
 81 82  1  0
 82 83  1  0
 81 84  1  0
 84 85  1  6
 84 86  1  0
 86 87  1  1
 86 88  1  0
 88 79  1  0
 88 89  1  6
 90 89  1  1
 90 91  1  0
 91 92  1  0
 92 93  1  1
 92 94  1  0
 92 95  1  0
 95 96  1  6
 95 97  1  0
 97 98  1  6
 97 99  1  0
 99 90  1  0
 18100  1  0
100101  1  0
100102  2  0
102 15  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15407

> <plate>
PLATE 002

> <well>
D3

> <supplier_cmpd_name>
Vancomycin hydrochloride

> <ctcr_id>
2477

> <supplier_cmpd_id>
T0832

> <smiles>
Cl.CNC(CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)C6NC(=O)C(NC(=O)C4NC(=O)C(CC(=O)N)NC1=O)c7ccc(O)c(c7)c8c(O)cc(O)cc8[C@H](NC6=O)C(=O)O)c3O[C@@H]9OC(CO)[C@@H](O)[C@H](O)[C@H]9O[C
@H]%10C[C@](C)(N)[C@H](O)[C@H](C)O%10)c(Cl)c2

> <pd_targets>
{SLC6A2,ALB,ADRA1A,ADRA1B,ADRA1D,ADRA2A,ADRA2B,ADRA2C,MURG,VANX,MRAY,SLC6A4,ALDH1A1}

> <pathway_gtopdb>
{Transporter,"Secreted protein","Membrane receptor",Enzyme,"Electrochemical transporter","Family A G protein-coupled receptor",Transferase,Protease,Oxidoreductase,"SLC superfamily of solute carriers",
"Small molecule receptor (family A GPCR)","Metallo protease","SLC06 neurotransmitter transporter family","Monoamine receptor","Metallo protease MD clan","Adrenergic receptor","Metallo protease M15 fam
ily","Metallo protease M15D subfamily"}

> <pathway_chembl>
{Transporters,Receptors,"SLC superfamily of solute carriers","G protein-coupled receptors","SLC6 neurotransmitter transporter family",Adrenoceptors,"Monoamine transporter subfamily"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Signal Transduction","Metabolism of lipids","Transmission across Chemical Synapses","Biological oxidations","Signaling by GPCR","Metabolism of steroids","Neurotransmitte
r clearance","Phase I - Functionalization of compounds","GPCR ligand binding","Bile acid and bile salt metabolism","Serotonin clearance from the synaptic cleft","Ethanol oxidation","Class A/1 (Rhodops
in-like receptors)","Recycling of bile acids and salts","Amine ligand-binding receptors",Adrenoceptors}

> <broad_targets>
{}

> <broad_moa>
{"bacterial cell wall synthesis inhibitor"}

> <synonyms>
{RESTW49,"Vancomycin, hydrochloride","VANCOMYCIN HYDROCHLORIDE",1404-93-9,1404939,C66H75Cl2N9O24.HCl,AKOS025310179,CCG-220497,CCG220497,J10024,404V939,"Vancomycin, Antibiotic for Culture Media Use Onl
y",Q-201919,Q201919,Q-201920,Q201920,"Vancomycin hydrochloride","Antibiotic for Culture",T0832,Prestw-497}

> <pdid>
PD009986

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{24721356}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 30  0  0  1  0            999 V2000
    2.4298   -5.7148    0.0000 C   0  0
    0.9385   -5.5534    0.0000 N   0  0
    3.9219   -5.8762    0.0000 C   0  0
    4.8085   -4.6653    0.0000 C   0  0  2  0  0  0
    6.3008   -4.8250    0.0000 C   0  0
    7.2881   -3.7128    0.0000 C   0  0
    8.6555   -4.3295    0.0000 C   0  0
    8.4915   -5.8205    0.0000 C   0  0
    7.0228   -6.1253    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   12.4555   -2.3127    0.0000 P   0  0
   11.1562   -3.0622    0.0000 O   0  0
   13.7548   -3.0622    0.0000 O   0  0
   12.4555   -0.8127    0.0000 O   0  0
   12.4555   -3.8127    0.0000 O   0  0
  1  2  3  0
  1  3  1  0
  4  3  1  1
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  4 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 19  1  0
 24 25  2  0
 24 26  1  0
 24 27  1  0
 24 28  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15408

> <plate>
PLATE 002

> <well>
D4

> <supplier_cmpd_name>
Ruxolitinib (INCB-18424) phosphate

> <ctcr_id>
11041

> <supplier_cmpd_id>
T3043

> <smiles>
C(#N)C[C@H](C1CCCC1)n1ncc(c1)c1ncnc2c1cc[nH]2.P(=O)(O)(O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Ruxolitinib phosphate",1092939-17-7,1092939177,Jakafi,Jakavi,"Ruxolitinib (phosphate)","Ruxolitinib phosphate salt",UNII-436LRU32H5,UNII436LRU32H5,"INCB018424 SALT",CHEBI:66917,436LRU32H5,"1092939-1
7-7 (phosphate)","1092939177 (phosphate)",INC-424,INC424,INCB-18424,INCB18424,"INCB 018424 phosphate",T3043,"Ruxolitinib (INCB-18424) phosphate"}

> <pdid>

> <targets>
{JAK,JAK1,JAK2}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,"JAK/STAT signaling","Stem Cells"}

> <pubchem_cids>
{25127112}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8934   -5.2570    0.0000 C   0  0
   -5.1924   -6.0071    0.0000 C   0  0
   -6.4914   -5.2571    0.0000 C   0  0
   -7.7905   -6.0071    0.0000 O   0  0
   -6.4915   -3.7571    0.0000 C   0  0
   -7.7905   -3.0071    0.0000 O   0  0
   -5.1925   -3.0071    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
 17 10  1  0
  7 18  2  0
 18  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15409

> <plate>
PLATE 002

> <well>
D5

> <supplier_cmpd_name>
Piceatannol

> <ctcr_id>
7259

> <supplier_cmpd_id>
T0610

> <smiles>
Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1

> <pd_targets>
{THRB,PMP22,CDPK,LCK,MYLK,SMN1,L3MBTL1,NPC1,KDM4E,SYK,LMNA,TDP1,MAPT,BLM,DYRK1A,ALOX12,HPGD,POLB,ALDH1A1,FFP,KMT2A,MEN1,GMNN,TGR,ALD,STK33,GFER,ALOX5,MTOR,GLO1,MARK4,PRKCQ,DYRK1B,CSNK1A1,ALK,RET,MAP4K
4,LRRK2,CLK2,CAMK2A,STK3,ROCK2,SGK2,ROS1,PTK2,PRKX,GRK5,TAOK1,GSK3A,SIK2,TYRO3,HCK,CAMKK2,JAK3,PIM1,ROCK1,PRKACA,CAMK1D,MAPK10,JAK2,TNK2,FGFR1,MELK,PDGFRA,TBK1,LTK,MARK3,ACVR1,BTK,CDK8,IKBKE,MAP3K10,R
PS6KA3,GSK3B,FLT1,CASP6}

> <pathway_gtopdb>
{"Transcription factor","Unclassified protein",Enzyme,"Epigenetic regulator",Transporter,"Other nuclear protein","Other cytosolic protein","Nuclear receptor",Kinase,Reader,Eraser,Hydrolase,Oxidoreduct
ase,Transferase,Lyase,"Nuclear hormone receptor subfamily 1","Protein Kinase","Methyl-lysine/arginine binding protein","Lysine demethylase",Bromodomain,"Nuclear hormone receptor subfamily 1 group A","
CAMK protein kinase group","TK protein kinase group","Tudor domain","MBT domain","Jumonji domain-containing","CMGC protein kinase group","Atypical protein kinase group","Nuclear hormone receptor subfa
mily 1 group A member 2","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Src family","CAMK protein kinase MLCK family","Tyrosine protein kinase Syk family","CMGC protein kinase DYRK family
","CAMK protein kinase unique family","Atypical protein kinase PIKK family","CMGC protein kinase Dyrk1 subfamily","Atypical protein kinase FRAP subfamily",Protease,"Cysteine protease","AGC protein kin
ase group","CK1 protein kinase group","TKL protein kinase group","STE protein kinase group","Other protein kinase group","Cysteine protease CD clan","AGC protein kinase PKC family","CK1 protein kinase
 CK1 family","TKL protein kinase STKR family","Tyrosine protein kinase Ret family","STE protein kinase STE20 family","TKL protein kinase LRRK family","CMGC protein kinase CLK family","CAMK protein kin
ase CAMK2 family","AGC protein kinase DMPK family","AGC protein kinase SGK family","Tyrosine protein kinase Sev family","Tyrosine protein kinase Fak family","AGC protein kinase PKA family","AGC protei
n kinase GRK family","CMGC protein kinase GSK family","Tyrosine protein kinase Axl family","Other protein kinase CAMKK family","Tyrosine protein kinase JakA family","CAMK protein kinase PIM family","C
MGC protein kinase MAPK family","Tyrosine protein kinase Ack family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase PDGFR family","Other protein kinase IKK family","Tyrosine protein ki
nase Alk family","Tyrosine protein kinase Tec family","CMGC protein kinase CDK family","TKL protein kinase MLK family","AGC protein kinase RSK family","Tyrosine protein kinase VEGFR family","Cysteine 
protease C14 family","CAMK protein kinase MARK subfamily","AGC protein kinase PKC delta subfamily","TKL protein kinase STKR Type 1 subfamily","STE protein kinase MSN subfamily","STE protein kinase MST
 subfamily","AGC protein kinase ROCK subfamily","AGC protein kinase GRK subfamily","STE protein kinase TAO subfamily","CAMK protein kinase QIK subfamily","Other protein kinase Meta subfamily","CMGC pr
otein kinase JNK subfamily","CAMK protein kinase MELK subfamily","TKL protein kinase STKR1","CMGC protein kinase CDK8 subfamily","TKL protein kinase MLK subfamily","AGC protein kinase RSK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Catalytic receptors","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","Chromatin modifying enzymes","Eicosanoid turnover","1A. T
hyroid hormone receptors","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","SLC65 NPC-type cholesterol transporters","1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK
,GSK3,"CLK families",Lipoxygenases,"Prostaglandin synthases",Atypical,"TK: Tyrosine kinase","Myosin Light Chain Kinase (MLCK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (D
YRK) family","CAMK-unique family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Non-receptor tyrosine kinases (nRTKs)","Dyrk1 subfamily","FRAP subfamily","Src family","Syk family","
Peptidases and proteinases","AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase 1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CD: Cysteine (C) Peptidases","CAMK-lik
e (CAMKL) family","Protein kinase C (PKC) family","Casein kinase 1 (CK1) family","STE20 family","TKL: Tyrosine kinase-like","CLK family","CAMK2 family","DMPK family","SGK family","Protein kinase A (PK
A) family","G protein-coupled receptor kinases (GRKs)","Glycogen synthase kinase (GSK) family","Other protein kinases","PIM family","CAMK1 family","Mitogen-activated protein kinases (MAP kinases)","Cy
clin-dependent kinase (CDK) family","RSK family","C14: Caspase","MARK subfamily","Delta subfamily","Receptor tyrosine kinases (RTKs)","MSN subfamily","Leucine-rich repeat kinase (LRRK) family","MST su
bfamily","Rho kinase","GRK4 subfamily","TAO subfamily","GSK subfamily","QIK subfamily","CAMKK family","JNK subfamily","MELK subfamily","IKK family","Receptor serine/threonine kinase (RSTK) family","CD
K8 subfamily","Mixed Lineage Kinase (MLK) family","RSK subfamily","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XIV RTKs: RET","Type XVII RTKs: ROS receptors","Fak family","Ty
pe XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Meta subfamily","Janus kinase (JakA) family","Ack family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type III RTKs: PDG
FR",CSFR,Kit,"FLT3 receptor family","Type I receptor serine/threonine kinases","Tec family","MLK subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Metabolism of proteins","Developmental Biology",Disease,"Signal Transduction","Metabolism of RNA","Gene expression (Transcription)","Transport of small molecules","Cell Cycle","DNA Repair","Neuronal
 System",Metabolism,"Protein localization","Post-translational protein modification","Nervous system development","Infectious disease","Signaling by Rho GTPases","Metabolism of non-coding RNA","RNA Po
lymerase II Transcription","Plasma lipoprotein assembly",remodeling,"and clearance",Mitotic,"DNA Double-Strand Break Repair","Transmission across Chemical Synapses","Metabolism of lipids","Base Excisi
on Repair","Biological oxidations","Mitochondrial protein import","The citric acid (TCA) cycle and respiratory electron transport",SUMOylation,"EGR2 and SOX10-mediated initiation of Schwann cell myeli
nation","HIV Infection","RHO GTPase Effectors","snRNP Assembly","Generic Transcription Pathway","Plasma lipoprotein clearance","Leishmania infection","M Phase","Nonhomologous End-Joining (NHEJ)","Neur
otransmitter receptors and postsynaptic signal transmission","Homology Directed Repair","Mitotic G1 phase and G1/S transition","Biosynthesis of specialized proresolving mediators (SPMs)","Resolution o
f Abasic Sites (AP sites)","Phase I - Functionalization of compounds","Pyruvate metabolism and Citric Acid (TCA) cycle","SUMO E3 ligases SUMOylate target proteins","Host Interactions of HIV factors","
RHO GTPases activate PAKs","Transcriptional Regulation by TP53","LDL clearance","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynapti
c events","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","G0 and Early G1","Biosynthesis of DPA-derived SPMs","Biosynthesis of DHA-derived SPMs","Resolution of AP sites 
via the multiple-nucleotide patch replacement pathway","Ethanol oxidation","G1/S Transition","Pyruvate metabolism","SUMOylation of intracellular receptors","The role of Nef in HIV-1 replication and di
sease pathogenesis","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Post NMDA receptor activation events","HDR through Homologous
 Recombination (HRR)","Biosynthesis of DPAn-3 SPMs","Biosynthesis of D-series resolvins","PCNA-Dependent Long Patch Base Excision Repair","Activation of the pre-replicative complex","Nef-mediates down
 modulation of cell surface receptors by recruiting them to clathrin adapters","Regulation of TP53 Activity through Methylation","FCGR3A-mediated IL10 synthesis","Nuclear Envelope (NE) Reassembly","Ac
tivation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","Biosynthesis of DPAn-3-derived maresins","Biosynthesis of DPAn-3-derived 13-series resolvins","Regulation of TP53 E
xpression and Degradation","Nef Mediated CD4 Down-regulation","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 De
gradation","Organelle biogenesis and maintenance","Cellular responses to external stimuli","Immune System","Cilium Assembly","Signaling by GPCR","Diseases of signal transduction by growth factor recep
tors and second messengers","Cellular responses to stress","Signaling by Non-Receptor Tyrosine Kinases","Signaling by Hippo","Ion channel transport","Cytokine Signaling in Immune system","Innate Immun
e System","Signaling by Receptor Tyrosine Kinases","Anchoring of the basal body to the plasma membrane","GPCR downstream signalling","Signaling by WNT in cancer","Axon guidance","Cellular Senescence",
"Signaling by PTK6","Stimuli-sensing channels","SARS-CoV Infections","Signaling by Interleukins","FLT3 signaling in disease","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","Signaling by FGFR i
n disease","Signaling by PDGFR in disease","Oncogenic MAPK signaling","Signaling by NOTCH1 in Cancer","Signaling by VEGF","G alpha (i) signalling events","Signaling by AMER1 mutants","RET signaling","
Oxidative Stress Induced Senescence","PTK6 promotes HIF1A stabilization","Semaphorin interactions","Parasite infection","G alpha (q) signalling events","SARS-CoV-1 Infection","Interleukin-2 family sig
naling","Signaling by FLT3 ITD and TKD mutants","G2/M Transition","Toll Like Receptor 5 (TLR5) Cascade","G1 Phase","Signaling by FGFR1 in disease","Drug resistance of PDGFR mutants","Toll Like Recepto
r 4 (TLR4) Cascade","Signaling by RAS mutants","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","VEGF ligand-receptor interactions","Visual phototransduction","Truncations of AMER1 destabilize t
he destruction complex","Sema4D in semaphorin signaling","Leishmania phagocytosis","SARS-CoV-1 Genome Replication and Transcription","Interleukin-15 signaling","STAT5 activation downstream of FLT3 ITD
 mutants","Centrosome maturation","MyD88 cascade initiated on plasma membrane","Cyclin D associated events in G1","FGFR1 mutant receptor activation","Imatinib-resistant PDGFR mutants","MyD88-independe
nt TLR4 cascade","Signaling downstream of RAS mutants","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","VEGF binds to VEGFR leading to receptor dimerization","TP53 Regulates Transcription of
 Cell Death Genes","The phototransduction cascade","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Sema4D induced cell migration and growth-cone collapse","FCGR3A-m
ediated phagocytosis","ADORA2B mediated anti-inflammatory cytokines production","Separation of Sister Chromatids","Replication of the SARS-CoV-1 genome","Nef and signal transduction","Loss of proteins
 required for interphase microtubule organization from the centrosome","MAP kinase activation","Signaling by activated point mutants of FGFR1","TRIF(TICAM1)-mediated TLR4 signaling","TP53 Regulates Tr
anscription of Caspase Activators and Caspases",Inactivation,"recovery and regulation of the phototransduction cascade","Ras activation upon Ca2+ influx through NMDA receptor","Loss of Nlp from mitoti
c centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Activation of the AP-1 family of transcription factors","CREB phosphorylat
ion"}

> <broad_targets>
{ATP5A1,ATP5B,ATP5C1,IRF3}

> <broad_moa>
{"SYK inhibitor"}

> <synonyms>
{piceatannol,10083-24-6,10083246,3-Hydroxyresveratol,3Hydroxyresveratol,"3,5,3',4'-Tetrahydroxystilbene","3,5,3',4'Tetrahydroxystilbene","(E)-4-(3,5-dihydroxystyryl)benzene-1,2-diol","(E)4(3,5dihydrox
ystyryl)benzene1,2diol","3,3',4'5-Tetrahydroxystilbene","3,3',4'5Tetrahydroxystilbene","4-((E)-2-(3,5-dihydroxyphenyl)ethenyl)benzene-1,2-diol","4((E)2(3,5dihydroxyphenyl)ethenyl)benzene1,2diol","3,3'
,4,5'-Tetrahydroxystilbene","3,3',4,5'Tetrahydroxystilbene",EI-271,S3026,Piceatannol}

> <pdid>
PD002653

> <targets>
{Syk,Others}

> <classes>
{}

> <pubchem_cids>
{667639}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 37  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -4.7631   -0.2500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -6.4952   -3.7500    0.0000 C   0  0  1  0  0  0
   -5.1961   -4.5000    0.0000 C   0  0
   -6.4952   -5.2500    0.0000 C   0  0
   -7.7942   -6.0000    0.0000 C   0  0
   -9.0933   -5.2500    0.0000 C   0  0  2  0  0  0
  -10.3923   -6.0000    0.0000 O   0  0
   -9.0933   -3.7500    0.0000 C   0  0
   -9.0579   -2.2505    0.0000 C   0  0
  -10.3743   -4.5303    0.0000 C   0  0
   -7.7942   -3.0000    0.0000 C   0  0
   -7.7942   -1.5000    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0  1  0  0  0
   -5.1962   -0.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3032    3.7490    0.0000 O   0  0
    1.2946    3.7531    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
 23 14  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26  8  1  0
 26 13  1  0
 26 27  1  6
 10 28  1  0
 28  5  1  0
 28 29  1  0
 29  2  1  0
 29 30  1  6
  4 31  1  6
 31 32  2  0
 31 33  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15410

> <plate>
PLATE 002

> <well>
D6

> <supplier_cmpd_name>
Ursolic acid

> <ctcr_id>
7503

> <supplier_cmpd_id>
T0722

> <smiles>
C[C@@H]1C[C@H](C2CC[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C2[C@H]1C)C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Ursolic acid (Malol)",SCHEMBL1699371,s2370,AKOS022168209,CCG-269305,CCG269305,"CCG 269305",NCGC00386159-01,NCGC0038615901,"NCGC00386159 01",AS-13246,AS13246,"AS 13246",H719,S2370,"Ursolic Acid"}

> <pdid>
PD021643

> <targets>
{Others,Autophagy,Endogenous Metabolite}

> <classes>
{Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{49867942}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -7.7926   -3.0046    0.0000 C   0  0
   -9.0904   -3.7567    0.0000 O   0  0
   -6.4923   -3.7525    0.0000 C   0  0
   -6.4900   -5.2525    0.0000 O   0  0
   -5.1945   -3.0005    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12  6  1  0
 12 13  2  0
 13  2  1  0
 10 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  2  0
 21 14  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15411

> <plate>
PLATE 002

> <well>
D7

> <supplier_cmpd_name>
Luteolin

> <ctcr_id>
5413

> <supplier_cmpd_id>
T1027

> <smiles>
Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3

> <pd_targets>
{AKR1B1,NA,ACHE,TOP1,CYP1A1,LMNA,MAPT,HIF1A,ADORA1,MMP12,FLT3,MAPK14,LCK,XDH,CDK2,CD38,FASN,ELANE,REP,CYP3A4,UREA,UREB,TTR,IP6K2,BLM,POLB,SMN1,PARP1,CA7,FABZ,FABI,GLO1,CYP1B1,RECQL,RORC,ALOX12,DPP3,GS
K3A,GSK3B,CYP1A2,KDM4E,THRB,LOX1.1,AURKB,PRSS1,NANH,MMP2,TNKS,DPP4,ALOX15,GPR35,MMP3,MMP9,TNKS2,PBRM1,CSNK2A2,CSNK2B,LEF,GAA,APP,CA12,POL,AMY1A,KMT2A,MEN1,GALK1,HSD17B10,ALDH1A1,MEX-5,PIM1,CA3,CA4,DAP
K1,MAOA,NKX2-5,MMP13,SYK,ALOX5,CDK5,CDK5R1,CCNB1,CCNB2,CCNB3,CDK1,PSIP1,DXR,CA2,HPGD,POS-1,CSNK2A1,CSNK2A3,FABG,LAP3,MAOB,TSHR,CA1,GLA,CYP2D6,CYP2C9,ARG1,IPMK,CYP2C19,FFP,MAPK10,PTGS2,AKR1B10,NOX4,ABC
B1,PPARG,PSMB5,GATA4,SLC6A3,NS3,ABCG2}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Other cytosolic protein","Transcription factor","Membrane receptor","Secreted protein","Epigenetic regulator","Unclassified protein",Transporter,Oxidoreductase,Hydrola
se,Isomerase,"Cytochrome P450","Family A G protein-coupled receptor",Protease,Kinase,Transferase,Reader,Lyase,"Nuclear receptor",Eraser,"Primary active transporter","Electrochemical transporter","Cyto
chrome P450 family 1","Small molecule receptor (family A GPCR)","Metallo protease","Protein Kinase","Serine protease","Cytochrome P450 family 3","Methyl-lysine/arginine binding protein","Nuclear hormo
ne receptor subfamily 1","Lysine demethylase",Bromodomain,"Cysteine protease","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","ATP-binding cassette","Threonine protease","SLC superfamily
 of solute carriers","Cytochrome P450 family 1A","Nucleotide-like receptor (family A GPCR)","Metallo protease MAM clan","TK protein kinase group","CMGC protein kinase group","Serine protease PA clan",
"Cytochrome P450 family 3A","Tudor domain","Cytochrome P450 family 1B","Nuclear hormone receptor subfamily 1 group F","Metallo protease MAE clan","Jumonji domain-containing","Nuclear hormone receptor 
subfamily 1 group A","Other protein kinase group","Serine protease SC clan","Carboxylic acid receptor","CAMK protein kinase group","Cysteine protease CA clan","Metallo protease MF clan","Glycohormone 
receptor","Cytochrome P450 family 2D","Cytochrome P450 family 2C","ABCB subfamily","Nuclear hormone receptor subfamily 1 group C","Threonine protease PBT clan","SLC06 neurotransmitter transporter fami
ly","ABCG subfamily","Cytochrome P450 1A1","Adenosine receptor","Metallo protease M10A subfamily","Tyrosine protein kinase PDGFR family","CMGC protein kinase MAPK family","Tyrosine protein kinase Src 
family","CMGC protein kinase CDK family","Serine protease S1A subfamily","Cytochrome P450 3A4","Cytochrome P450 1B1","Nuclear hormone receptor subfamily 1 group F member 3","Metallo protease M49 famil
y","CMGC protein kinase GSK family","Nuclear hormone receptor subfamily 1 group A member 2","Metallo protease M1 family","Other protein kinase AUR family","Serine protease S9B subfamily","Kynurenic ac
id receptor","Other protein kinase CK2 family","Metallo protease M34 family","CAMK protein kinase PIM family","CAMK protein kinase DAPK family","Tyrosine protein kinase Syk family","Cysteine protease 
C1A family","Metallo protease M17 family","Cytochrome P450 2D6","Cytochrome P450 2C9","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group C member 3","Threonine protease T1A subfamily",
"CMGC protein kinase p38 subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase JNK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"1.-.-.- Oxidoreductases","Acetylcholine turnover","DNA topoisomerases","Cytochrome P450","G protein-coupled receptors","Peptidases and proteina
ses","Catalytic receptors","Kinases (EC 2.7.x.x)","Abscisic acid receptor complex","2.3.1.-  Acyltransferases","Anti-infective targets",Transthyretin,"Poly ADP-ribose polymerases","Carbonic anhydrases
","Nuclear hormone receptors","Eicosanoid turnover","Chromatin modifying enzymes","Bromodomain-containing proteins","3.2.1.- Glycosidases","Catecholamine turnover","L-Arginine turnover","NADPH oxidase
s","ATP-binding cassette transporter family","SLC superfamily of solute carriers","CYP1 family","Adenosine receptors","MA: Metallo (M) Peptidases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"
CLK families","PA: Serine (S) Peptidases","Viral protein targets","CYP3 family","1F. Retinoic acid-related orphans",Lipoxygenases,"1.14.11.- Histone demethylases","1A. Thyroid hormone receptors","SC: 
Serine (S) Peptidases","Orphan and other 7TM receptors","Non-enzymatic BRD containing proteins","CAMK: Calcium/calmodulin-dependent protein kinases","Prostaglandin synthases","MF: Metallo (M) Peptidas
es","Glycoprotein hormone receptors","CYP2 family: drug metabolising subset",Arginase,Cyclooxygenase,"ABCB subfamily","1C. Peroxisome proliferator-activated receptors","PB: Threonine (T) Peptidases","
SLC6 neurotransmitter transporter family","ABCG subfamily","M10: Matrix metallopeptidase","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Cyclin-dependent kinase (CDK) family"
,"S1: Chymotrypsin","Coronavirus (CoV) proteins","M49: Dipeptidyl-peptidase III","Other protein kinases","S9: Prolyl oligopeptidase","Class A Orphans","Glycogen synthase kinase (GSK) family","PIM fami
ly","Death-associated kinase (DAPK) family","M17: Leucyl aminopeptidase","T1: Proteasome","Monoamine transporter subfamily","Receptor tyrosine kinases (RTKs)","p38 subfamily","Non-receptor tyrosine ki
nases (nRTKs)","CDK1 subfamily","Aurora kinase (Aur) family","GSK subfamily","JNK subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Src family","Syk family"}

> <pathway_reactome>
{Metabolism,"Metabolism of proteins","Cell Cycle","Neuronal System","Cellular responses to external stimuli","Signal Transduction","Extracellular matrix organization","Immune System",Disease,"Gene exp
ression (Transcription)","DNA Repair","Metabolism of RNA","Developmental Biology","Transport of small molecules","Programmed Cell Death","Metabolism of lipids","Post-translational protein modification
","Biological oxidations",Mitotic,"Transmission across Chemical Synapses","Cellular responses to stress","Signaling by GPCR","Degradation of the extracellular matrix","Signaling by Receptor Tyrosine K
inases","Innate Immune System","Infectious disease","Metabolism of nucleotides","RNA Polymerase II Transcription","Metabolism of vitamins and cofactors","Cytokine Signaling in Immune system","DNA Doub
le-Strand Break Repair","Base Excision Repair","Metabolism of non-coding RNA","Reversible hydration of carbon dioxide","The citric acid (TCA) cycle and respiratory electron transport","Nervous system 
development","Intracellular signaling by second messengers","Peptide hormone metabolism","Diseases of metabolism","Metabolism of amino acids and derivatives","Diseases of signal transduction by growth
 factor receptors and second messengers","O2/CO2 exchange in erythrocytes",Apoptosis,"Inositol phosphate metabolism","Abacavir transport and metabolism","Disorders of transmembrane transporters","Meta
bolism of steroids","Phospholipid metabolism",SUMOylation,"Phase I - Functionalization of compounds","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Cellular response to h
ypoxia","GPCR ligand binding","Collagen degradation","Signaling by Insulin receptor","Toll-like Receptor Cascades","HIV Infection","Nucleobase catabolism","Generic Transcription Pathway","Metabolism o
f water-soluble vitamins and cofactors","Complement cascade","SARS-CoV Infections","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR downstream signalling","Interferon Signaling","Homo
logy Directed Repair","Resolution of Abasic Sites (AP sites)","snRNP Assembly","Influenza Infection","Pyruvate metabolism and Citric Acid (TCA) cycle","Axon guidance","PIP3 activates AKT signaling","I
ncretin synthesis",secretion,"and inactivation","Uptake and actions of bacterial toxins","Diseases of carbohydrate metabolism","Diseases of glycosylation","Branched-chain amino acid catabolism","FLT3 
signaling in disease","Erythrocytes take up carbon dioxide and release oxygen","Caspase activation via extrinsic apoptotic signalling pathway","Leishmania infection","Signaling by Interleukins","Sphin
golipid metabolism","Neutrophil degranulation","Synthesis of IPs in the nucleus","Metabolism of fat-soluble vitamins","Abacavir transmembrane transport","Regulation of mitotic cell cycle","SLC transpo
rter disorders","Metabolism of steroid hormones","Glycerophospholipid biosynthesis","SUMO E3 ligases SUMOylate target proteins","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and An
aphase","Activation of NMDA receptors and postsynaptic events","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Class A/1 (Rhodopsin-like receptors)","Insulin receptor signa
lling cascade","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","Purine catabolism","Transcriptional Regulation by TP53","Nicotinate metabolism","Regulation of cholesterol bios
ynthesis by SREBP (SREBF)","Regulation of Complement cascade","SARS-CoV-1 Infection","Biosynthesis of DHA-derived SPMs","G alpha (i) signalling events","Interferon alpha/beta signaling","HDR through H
omologous Recombination (HRR) or Single Strand Annealing (SSA)","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Influenza Viral RNA Transcription and Replication","Pyru
vate metabolism","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","Cobalamin (Cbl","vitamin B12) transport and metabolism","EPH-Ephrin signaling","PTEN Regulation",Synthesis,"a
nd inactivation of Glucagon-like Peptide-1 (GLP-1)","G alpha (q) signalling events","Transcriptional regulation by RUNX1","Uptake and function of anthrax toxins","Glycogen storage diseases","Diseases 
associated with glycosylation precursor biosynthesis","Ethanol oxidation","Signaling by FLT3 ITD and TKD mutants","Caspase activation via Dependence Receptors in the absence of ligand","Amine Oxidase 
reactions","Transcriptional regulation by RUNX2","Leishmania parasite growth and survival","HIV Life Cycle","Interleukin-12 family signaling","Glycosphingolipid metabolism","Virus Assembly and Release
","Retinoid metabolism and transport","Transcriptional Regulation by MECP2","APC/C-mediated degradation of cell cycle proteins","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Pregn
enolone biosynthesis","Synthesis of PC","SUMOylation of DNA replication proteins",Xenobiotics,"Mitotic Anaphase","Post NMDA receptor activation events","Nucleotide-like (purinergic) receptors","IRS-me
diated signalling","MyD88 cascade initiated on plasma membrane","The role of Nef in HIV-1 replication and disease pathogenesis","Regulation of TP53 Activity","Activation of gene expression by SREBF (S
REBP)","SARS-CoV-1 Genome Replication and Transcription","Biosynthesis of maresins","Visual phototransduction","HDR through Homologous Recombination (HRR)","PCNA-Dependent Long Patch Base Excision Rep
air","vRNA Synthesis","Endogenous sterols","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","SUMOylation of intracellular receptors","EPH-ephrin mediated repulsion of
 cells","Regulation of PTEN stability and activity","Gastrin-CREB signalling pathway via PKC and MAPK","RUNX1 interacts with co-factors whose precise effect on RUNX1 targets is not known","Glycogen st
orage disease type II (GAA)","Defective GALK1 can cause Galactosemia II (GALCT2)","STAT5 activation downstream of FLT3 ITD mutants","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and
 MAOB","RUNX2 regulates genes involved in cell migration","Anti-inflammatory response favouring Leishmania parasite infection","Early Phase of HIV Life Cycle","Biosynthesis of D-series resolvins","Int
erleukin-12 signaling","Assembly of Viral Components at the Budding Site","MECP2 regulates transcription factors","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Nuclea
r Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Adenosine P1 receptors","PI3K Cascade","MAP kinase activation","Nef-mediates down modulation of cell surface receptors by recruit
ing them to clathrin adapters","Regulation of TP53 Expression and Degradation","Replication of the SARS-CoV-1 genome","Biosynthesis of maresin-like SPMs","The canonical retinoid cycle in rods (twiligh
t vision)","Homologous DNA Pairing and Strand Exchange","Biosynthesis of DPAn-3-derived maresins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Separation of Sister Chromatids","
Biosynthesis of DPAn-3-derived protectins and resolvins","EGFR Transactivation by Gastrin","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","FCGR3A-mediated IL10 synthesis","Bio
synthesis of DPAn-3-derived 13-series resolvins","Integration of provirus","ADORA2B mediated anti-inflammatory cytokines production","Gene and protein expression by JAK-STAT signaling after Interleuki
n-12 stimulation","CYP2E1 reactions","Transport of HA trimer","NA tetramer and M2 tetramer from the endoplasmic reticulum to the Golgi Apparatus","APC/C:Cdc20 mediated degradation of mitotic proteins"
,"Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","Regulation of TP53 Degradation","Presynaptic phase of homo
logous DNA pairing and strand exchange","2-LTR circle formation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Activation of the AP-1 famil
y of transcription factors","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{TOP1}

> <broad_moa>
{"glucosidase inhibitor"}

> <synonyms>
{luteolin,491-70-3,491703,"3',4',5,7-Tetrahydroxyflavone","3',4',5,7Tetrahydroxyflavone",Digitoflavone,Luteolol,"2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one","2(3,4Dihydroxyphenyl)5,7dihydr
oxy4Hchromen4one",Flacitran,Luteoline,Salifazide,"Weld Lake","Cyanidenon 1470","C.I. Natural Yellow 2","5,7,3',4'-Tetrahydroxyflavone","5,7,3',4'Tetrahydroxyflavone",T1027,S2320,Prestw-870,Luteolin}

> <pdid>
PD010790

> <targets>
{Apoptosis,Autophagy,Endogenous Metabolite,Keap1-Nrf2}

> <classes>
{Apoptosis,Autophagy,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{5280445}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 C   0  0
  -10.3884   -1.5226    0.0000 O   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -7.8059    2.9863    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 12  1  0
 18 19  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15412

> <plate>
PLATE 002

> <well>
D8

> <supplier_cmpd_name>
Isoliquiritigenin

> <ctcr_id>
2395

> <supplier_cmpd_id>
T0725

> <smiles>
Oc1ccc(cc1)/C=C/C(=O)c2ccc(O)cc2O

> <pd_targets>
{NFO,RORC,CHRNA7,HSD17B2,XDH,HSD17B1,CYP19A1,NANH,GBA,BLM,HPGD,MAPT,CYP2C19,CYP3A4,KMT2A,MEN1,LMNA,CYP2C9,GMNN,MAOB,PSMB5,BACE1,AKR1B1,APP,PMP22,NPSR1,POL,MAOA,SMARCA2,ESR2,PTGS1,PTGS2,ESR1,ALOX5,NFKB
1,NFKB2,RELA,MTOR,NLRP3}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Ion channel","Other cytosolic protein","Epigenetic regulator","Other nuclear protein","Unclassified protein","Membrane receptor",Hydrolase,"Nuclear receptor","Ligand-ga
ted ion channel",Oxidoreductase,"Cytochrome P450",Reader,Protease,"Family A G protein-coupled receptor",Kinase,"Nuclear hormone receptor subfamily 1","Nicotinic acetylcholine receptor","Cytochrome P45
0 family 19","Cytochrome P450 family 2","Cytochrome P450 family 3",Bromodomain,"Threonine protease","Aspartic protease","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 3","Prote
in Kinase","Nuclear hormone receptor subfamily 1 group F","Nicotinic acetylcholine receptor alpha subunit","Cytochrome P450 family 19A","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Threoni
ne protease PBT clan","Aspartic protease AA clan","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 3 group A","Atypical protein kinase group","Nuclear hormone receptor subf
amily 1 group F member 3","Cytochrome P450 19A1","Cytochrome P450 2C19","Cytochrome P450 3A4","Cytochrome P450 2C9","Threonine protease T1A subfamily","Aspartic protease A1A subfamily","Neuropeptide r
eceptor","Nuclear hormone receptor subfamily 3 group A member 2","Nuclear hormone receptor subfamily 3 group A member 1","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"Other protein targets","Nuclear hormone receptors","Ligand-gated ion channels","1.-.-.- Oxidoreductases","Cytochrome P450","3.2.1.- Glycosidases","Eicosanoid turnove
r","Catecholamine turnover","Peptidases and proteinases","G protein-coupled receptors","Bromodomain-containing proteins","Kinases (EC 2.7.x.x)","Catalytic receptors","1F. Retinoic acid-related orphans
","Nicotinic acetylcholine receptors",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","Prostaglandin synthases","CYP2 family: drug metabolising subset","CYP3 family","PB: Threonine (T) Peptidases","AA: A
spartic (A) Peptidases","Neuropeptide S receptor","Non-enzymatic BRD containing proteins","Steroid hormone receptors",Lipoxygenases,Atypical,"Pattern recognition receptors","T1: Proteasome","A1: Pepsi
n","3A. Estrogen receptors","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","NOD-like receptor family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Neuronal System",Metabolism,"Signal Transduction","DNA Repair","Cell Cycle","Metabolism of proteins","Immune System","Developmental Biology",Disease,"RNA Polymerase
 II Transcription","Transmission across Chemical Synapses","Metabolism of lipids","Metabolism of nucleotides","Signaling by GPCR","Biological oxidations","DNA Double-Strand Break Repair",Mitotic,"Amyl
oid fiber formation","Innate Immune System","Nervous system development","Infectious disease","Intracellular signaling by second messengers","Generic Transcription Pathway","Neurotransmitter receptors
 and postsynaptic signal transmission","Metabolism of steroids","Nucleobase catabolism","GPCR downstream signalling","Phase I - Functionalization of compounds","Sphingolipid metabolism","Homology Dire
cted Repair","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Mitotic G1 phase and G1/S transition","Regulation of mitotic cell cycle","Toll-like Receptor Cascades","EGR2 and SOX
10-mediated initiation of Schwann cell myelination","Leishmania infection","PIP3 activates AKT signaling","Transcriptional regulation by RUNX3","Acetylcholine binding and downstream events","Metabolis
m of steroid hormones","Purine catabolism","G alpha (i) signalling events","Cytochrome P450 - arranged by substrate type","Glycosphingolipid metabolism","HDR through Homologous Recombination (HRR) or 
Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","G1/S Transition","Amine Oxidase reactions","A
PC/C-mediated degradation of cell cycle proteins","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival","Transcriptional regulation by RUNX1","Negative regulation of the PI3K
/AKT network","Biosynthesis of DPA-derived SPMs","Transcriptional Regulation by TP53","Cell recruitment (pro-inflammatory response)","RUNX3 Regulates Immune Response and Cell Migration","Postsynaptic 
nicotinic acetylcholine receptors","Estrogen biosynthesis","Visual phototransduction","Endogenous sterols","HDR through Homologous Recombination (HRR)","Biosynthesis of D-series resolvins","Post NMDA 
receptor activation events",Xenobiotics,"Biosynthesis of maresins","Mitotic Anaphase","Activation of the pre-replicative complex","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and M
AOB","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Pregnenolone biosynthesis","MyD88 cascade initiated on plasma membrane","Anti-inflammatory response favouring Leish
mania parasite infection","RUNX1 interacts with co-factors whose precise effect on RUNX1 targets is not known",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","RUNX1 regulates estrogen receptor media
ted transcription","Biosynthesis of DPAn-3 SPMs","Regulation of TP53 Activity","Purinergic signaling in leishmaniasis infection","Highly calcium permeable postsynaptic nicotinic acetylcholine receptor
s","The canonical retinoid cycle in rods (twilight vision)","Homologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","Biosynthesis of maresin-like SPMs
","Nuclear Envelope (NE) Reassembly","APC/C:Cdc20 mediated degradation of mitotic proteins","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","ADORA2B mediated anti-inflammatory 
cytokines production","Biosynthesis of DPAn-3-derived 13-series resolvins","Regulation of TP53 Expression and Degradation","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation
 of Nuclear Envelope (NE) Reformation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Regulation of TP53 Degradation","Cdc20:Phospho-APC/C m
ediated degradation of Cyclin A"}

> <broad_targets>
{GABBR1}

> <broad_moa>
{"guanylate cyclase activator"}

> <synonyms>
{Lopac0000681,Lopac0-000681,"Lopac0 000681",isoliquiritigenin,961-29-5,961295,"2',4,4'-Trihydroxychalcone","2',4,4'Trihydroxychalcone","4,2',4'-Trihydroxychalcone","4,2',4'Trihydroxychalcone","(E)-1-(
2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","(E)1(2,4dihydroxyphenyl)3(4hydroxyphenyl)prop2en1one",6'-deoxychalcone,6'deoxychalcone,"2',4',4-Trihydroxychalcone","2',4',4Trihydroxychalcone
",isoliquirtigenin,UNII-B9CTI,UNIIB9CTI,T0725,10739,1504200,Isoliquiritigenin,ISOLIQUIRITIGENIN}

> <pdid>
PD001236

> <targets>
{}

> <classes>
{antineoplastic,"aldose reductase inhibitor",antiinflammatory}

> <pubchem_cids>
{638278}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 41 44  0  0  1  0            999 V2000
    2.6640   -0.1280    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
   -2.5950   -3.0008    0.0000 C   0  0
   -1.2942   -3.7494    0.0000 C   0  0
   -1.2911   -5.2502    0.0000 C   0  0
    0.0098   -5.9988    0.0000 C   0  0
    0.0129   -7.4996    0.0000 C   0  0
    1.3137   -8.2482    0.0000 C   0  0
    1.3168   -9.7490    0.0000 C   0  0
    2.6176  -10.4975    0.0000 C   0  0
    2.6207  -11.9984    0.0000 C   0  0
    3.9215  -12.7469    0.0000 S   0  0
    5.2192  -11.9946    0.0000 O   0  0
    3.9246  -14.2477    0.0000 C   0  0
    5.2254  -14.9963    0.0000 C   0  0
    5.2285  -16.4971    0.0000 C   0  0
    6.5293  -17.2457    0.0000 C   0  0
    6.5270  -15.7457    0.0000 F   0  0
    7.8271  -16.4934    0.0000 F   0  0
    6.5324  -18.7465    0.0000 C   0  0
    7.8325  -19.4946    0.0000 F   0  0
    6.5348  -20.2465    0.0000 F   0  0
    5.2347  -19.4988    0.0000 F   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0  2  0  0  0
    3.8900   -1.4008    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  5  4  1  1
  6  5  1  6
  6  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
  7 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 35 36  2  0
 36  5  1  0
 36 30  1  0
  6 37  1  0
 37  2  1  0
 37 38  1  1
 38 39  1  0
 39 40  1  0
 40  2  1  0
 40 41  1  1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15413

> <plate>
PLATE 002

> <well>
D9

> <supplier_cmpd_name>
Fulvestrant

> <ctcr_id>
4559

> <supplier_cmpd_id>
T2146

> <smiles>
C[C@]12CC[C@H]3[C@@H]([C@H](CCCCCCCCC[S](=O)CCCC(F)(F)C(F)(F)F)Cc4cc(O)ccc34)[C@@H]1CC[C@@H]2O

> <pd_targets>
{GPER1,ESR1,ESR2,NR1H4,EPHX2,BLA,PGR,NR1I2,ESRRA}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor",Enzyme,"Family A G protein-coupled receptor","Nuclear receptor",Protease,Hydrolase,"Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfa
mily 3","Nuclear hormone receptor subfamily 1","Serine protease","Lipid-like ligand receptor (family A GPCR)","Nuclear hormone receptor subfamily 3 group A","Nuclear hormone receptor subfamily 1 group
 H","Serine protease SC clan","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 3 group B","Steroid-like ligand receptor
","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamily 3 group A member 2","Nuclear hormone receptor subfamily 1 group H member 4","Serine protease S33 family","
Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 1 group I member 2","Nuclear hormone receptor subfamily 3 group B member 1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Nuclear hormone receptors",Hydrolases,"G protein-coupled estrogen receptor","Steroid hormone receptors","1H. Liver X receptor-like receptors","1I. Vit
amin D receptor-like receptors","3B. Estrogen-related receptors","3A. Estrogen receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Metabolism,"Metabolism of proteins","Signaling by GPCR","RNA Polymerase II Transcription","Intracellular signaling by second messengers","Metab
olism of lipids","Post-translational protein modification","GPCR ligand binding","Generic Transcription Pathway","PIP3 activates AKT signaling","Metabolism of steroids","Biosynthesis of specialized pr
oresolving mediators (SPMs)",SUMOylation,"Class A/1 (Rhodopsin-like receptors)","Transcriptional regulation by RUNX1","Negative regulation of the PI3K/AKT network","Bile acid and bile salt metabolism"
,"Biosynthesis of DHA-derived SPMs","SUMO E3 ligases SUMOylate target proteins","Transcriptional regulation by RUNX2","Peptide ligand-binding receptors","RUNX1 regulates estrogen receptor mediated tra
nscription",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Synthesis of bile acids and bile salts","Biosynthesis of maresins","SUMOylation of intracellular receptors","Regulation of RUNX2 expressio
n and activity","Synthesis of bile acids and bile salts via 27-hydroxycholesterol"}

> <broad_targets>
{ESR1,ESR2,GPER1}

> <broad_moa>
{"estrogen receptor antagonist"}

> <synonyms>
{RESTW142,Fulvestrant,129453-61-8,129453618,Faslodex,"Ici 182780",ICI-182780,ICI182780,"ICI 182,780","ZM 182780",ZM-182780,ZM182780,ZD-9238,ZD9238,"ZD 182780","Fulvestrant (Faslodex)","ZD 9238",CHEMBL
1358,C32H47F5O3S,CHEBI:31638,DSSTox_CID_2369,DSSToxCID2369,DSSTox-CID-2369,"DSSTox CID 2369",DSSTox_RID_76561,DSSToxRID76561,DSSTox-RID-76561,"DSSTox RID 76561",DSSTox_GSID_22369,DSSToxGSID22369,DSSTo
x-GSID-22369,"DSSTox GSID 22369",F,T2146,719276,S1191,nan,Prestw-1424,"NSC 719276",fulvestrant}

> <pdid>
PD002815

> <targets>
{"","Estrogen/progestogen Receptor"}

> <classes>
{"Endocrinology & Hormones","Estrogen Receptor Antagonists"}

> <pubchem_cids>
{104741}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 16 18  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 C   0  0
    1.8032    3.1233    0.0000 C   0  0
    0.3114    2.9665    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  4  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  3
 15 16  1  0
 16  3  1  0
 16 10  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15414

> <plate>
PLATE 002

> <well>
D10

> <supplier_cmpd_name>
Bergapten

> <ctcr_id>
5434

> <supplier_cmpd_id>
T2143

> <smiles>
COc1c2ccoc2cc3OC(=O)C=Cc13

> <pd_targets>
{CYP2A6,KCNA3,ALDH1A1,CYP2D6,MAOA,KCNA2,HSD17B10,CYP3A4,TSHR,CYP2C9,DYRK1A,PTPN1,LEF,KDM4E,CYP2C19,CYP1A1,CYP1A2,CYP1B1,MAPT}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Membrane receptor","Epigenetic regulator","Cytochrome P450","Voltage-gated ion channel",Oxidoreductase,"Family A G protein-coupled receptor",Kinase,Phosphatase,Protease,Eraser,"
Cytochrome P450 family 2","Potassium channels","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Protein Kinase","Protein Phosphatase","Metallo protease","Lysine demethylase","Cytochrome 
P450 family 1","Cytochrome P450 family 2A","Voltage-gated potassium channel","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Glycohormone receptor","Cytochrome P450 family 2C","CMGC protein k
inase group","Tyrosine protein phosphatase","Metallo protease MAE clan","Jumonji domain-containing","Cytochrome P450 family 1A","Cytochrome P450 family 1B","Cytochrome P450 2A6","Cytochrome P450 2D6",
"Cytochrome P450 3A4","Cytochrome P450 2C9","CMGC protein kinase DYRK family","Metallo protease M34 family","Cytochrome P450 2C19","Cytochrome P450 1A1","Cytochrome P450 1B1","CMGC protein kinase Dyrk
1 subfamily","Other cytosolic protein"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Cytochrome P450","Voltage-gated ion channels","Catecholamine turnover","G protein-coupled receptors","Kinases (EC 2.7.x.x)",Phosphatases,"Chromatin modifying enzymes
","CYP2 family: drug metabolising subset","Potassium channels","CYP3 family","Glycoprotein hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Protein tyrosine phosphatases non-recepto
r type (PTPN)","1.14.11.- Histone demethylases","CYP1 family","Voltage-gated potassium channels","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Dyrk1 subfamily"}

> <pathway_reactome>
{Metabolism,"Neuronal System",Disease,"Cell Cycle","Gene expression (Transcription)","Biological oxidations","Potassium Channels","Metabolism of amino acids and derivatives","Metabolism of lipids","In
fectious disease",Mitotic,"RNA Polymerase II Transcription","Phase I - Functionalization of compounds","Voltage gated Potassium channels","Branched-chain amino acid catabolism","Biosynthesis of specia
lized proresolving mediators (SPMs)","Leishmania infection","Mitotic G1 phase and G1/S transition","Generic Transcription Pathway","Uptake and actions of bacterial toxins","Cytochrome P450 - arranged 
by substrate type","Ethanol oxidation","Amine Oxidase reactions","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","G0 and Early G1","Transcriptional Regulation by MECP2","U
ptake and function of anthrax toxins",Xenobiotics,"Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania
 parasite infection","MECP2 regulates neuronal receptors and channels","Endogenous sterols","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines product
ion","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA re
ceptors and postsynaptic events","Post NMDA receptor activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{AKOS000276715,DB12216,Bergapten,5-Methoxypsoralen,5Methoxypsoralen,484-20-8,484208,bergaptene,Heraclin,Majudin,"4-Methoxy-7H-furo(3,2-g)chromen-7-one","4Methoxy7Hfuro(3,2g)chromen7one",BERGAPTAN,Psor
aderm,5-Mop,5Mop,"5-Methoxy psoralen","5Methoxy psoralen",O-Methylbergaptol,OMethylbergaptol,"5-Methoxy-6,7-furanocoumarin","5Methoxy6,7furanocoumarin",5-Methoxyfuranocoumari,5Methoxyfuranocoumari,T21
43,300546,BERGAPTEN}

> <pdid>
PD002008

> <targets>
{Autophagy,Cytochrome P450}

> <classes>
{antiinflammatory,antipsoriatic,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{2355}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

  7  6  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 N   0  0
    1.3000    0.7500    0.0000 N   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.4992   -0.7496    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  3  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15415

> <plate>
PLATE 002

> <well>
D11

> <supplier_cmpd_name>
Cyanoacetohydrazide

> <ctcr_id>
11047

> <supplier_cmpd_id>
T0704

> <smiles>
NNC(=O)CC#N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{2-Cyanoacetohydrazide,2Cyanoacetohydrazide,Cyanoacetohydrazide,Cyacetacide,140-87-4,140874,"Cyanoacetic acid hydrazide",Cyanoacethydrazide,Cyacetacid,Cyacetazid,Cyacetazide,Mackreazid,Neohydrazid,Arm
azal,Cianazil,Cyanazide,Cyanizide,Cyazide,Dictycide,Dictyzide,Hi,T0704}

> <pdid>
PD001299

> <targets>
{GSK-3,Bacterial}

> <classes>
{PI3K/Akt/mTOR signaling,Stem Cells,Anti-infection}

> <pubchem_cids>
{8820}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 32  0  0  1  0            999 V2000
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 C   0  0
    6.5005   -2.2411    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0  2  0  0  0
    1.2982   -3.7531    0.0000 C   0  0
    1.2961   -5.2539    0.0000 C   0  0
    2.5943   -6.0070    0.0000 C   0  0  2  0  0  0
    2.5944   -7.5070    0.0000 C   0  0
    3.8934   -8.2570    0.0000 C   0  0  1  0  0  0
    3.8934   -9.7570    0.0000 O   0  0
    5.1924   -7.5071    0.0000 C   0  0
    5.1925   -6.0071    0.0000 C   0  0
    6.4915   -5.2571    0.0000 O   0  0
    3.8935   -5.2570    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  2  0
  6  8  1  0
  9  8  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  6
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  1
 20 21  1  0
 22 21  1  1
 22 23  1  0
 23 24  1  0
 24 25  1  6
 24 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 22  1  0
 19 30  1  0
 30  9  1  0
 30 14  1  6
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15416

> <plate>
PLATE 002

> <well>
E2

> <supplier_cmpd_name>
Simvastatin

> <ctcr_id>
3301

> <supplier_cmpd_id>
T0687

> <smiles>
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12

> <pd_targets>
{HMGCR,AMPC,BCHE,CYP2C8,HMG1,ABCB11,FTL,ACHE,ABCB1,SLCO1B1,ABCC2,ITGAL,HDAC2,ALDH1A1,USP2,KDM4E,SMN1,RORC,CYP3A4}

> <pathway_gtopdb>
{Enzyme,Transporter,"Unclassified protein",Adhesion,"Epigenetic regulator","Transcription factor",Oxidoreductase,Hydrolase,"Cytochrome P450","Primary active transporter","Electrochemical transporter",
Eraser,Protease,Reader,"Nuclear receptor","Cytochrome P450 family 2","ATP-binding cassette","SLC superfamily of solute carriers","Histone deacetylase","Cysteine protease","Lysine demethylase","Methyl-
lysine/arginine binding protein","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Cytochrome P450 family 2C","ABCB subfamily","SLC21/SLCO family of organic anion transporting polypep
tides","ABCC subfamily","HDAC class I","Cysteine protease CA clan","Jumonji domain-containing","Tudor domain","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Cytochrome P45
0 2C8","Cysteine protease C19 family","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Lanosterol biosynthesis pathway","Acetylcholine turnover","Cytochrome P450","ATP-binding cassette transporter family","SLC superfamily of solute carriers","Catalytic r
eceptors","Chromatin modifying enzymes","Peptidases and proteinases","Nuclear hormone receptors","CYP2 family: drug metabolising subset","ABCB subfamily","SLCO family of organic anion transporting pol
ypeptides","ABCC subfamily",Integrins,"3.5.1.- Histone deacetylases (HDACs)","CA: Cysteine (C) Peptidases","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","CYP3 family","C19: Ubiq
uitin-specific protease"}

> <pathway_reactome>
{Metabolism,"Vesicle-mediated transport",Disease,"Gene expression (Transcription)","Metabolism of RNA","Metabolism of lipids","Biological oxidations","Membrane Trafficking","Abacavir transport and met
abolism","Disorders of transmembrane transporters","RNA Polymerase II Transcription","Metabolism of non-coding RNA","Metabolism of steroids","Phospholipid metabolism","Phase I - Functionalization of c
ompounds","trans-Golgi Network Vesicle Budding","Abacavir transmembrane transport","ABC transporter disorders","Generic Transcription Pathway","snRNP Assembly","Biosynthesis of specialized proresolvin
g mediators (SPMs)","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Glycerophospholipid biosynthesis","Cytochrome P450 - arranged by substrate type","Bile acid and bile salt metabolism","Go
lgi Associated Vesicle Biogenesis","Defective ABCC2 causes DJS","Transcriptional regulation by RUNX3","Transcriptional Regulation by TP53","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Activ
ation of gene expression by SREBF (SREBP)","Synthesis of PC",Xenobiotics,"Synthesis of bile acids and bile salts","Recycling of bile acids and salts","RUNX3 Regulates Immune Response and Cell Migratio
n","Regulation of TP53 Activity","Biosynthesis of maresins","CYP2E1 reactions","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Regulation of TP53 Activity through Acetylation",
"Regulation of TP53 Expression and Degradation","Biosynthesis of maresin-like SPMs","Regulation of TP53 Degradation"}

> <broad_targets>
{HMGCR,ITGB2}

> <broad_moa>
{"HMGCR inhibitor"}

> <synonyms>
{79902-63-9,79902639,"79902 63 9",Zocor,Synvinolin,Sinvacor,Denan,Lipex,MK-733,MK733,"MK 733",Sivastin,Lodales,Simvastatine,Cholestat,Colemin,Simovil,Medipo,Pantok,Simvastatina,Simvastatinum,Velostati
n,Zocord,Zorced,"Simvastatin lactone","Simvastatin (Zocor)",Lipovas,T0687,1965,SAM002589969,1504236,Prestw-865,Simvastatin,CPD000718785,SIMVASTATIN}

> <pdid>
PD001216

> <targets>
{Apoptosis,Autophagy,Ferroptosis,HMG-CoA Reductase (HMGCR),Mitophagy}

> <classes>
{antihyperlipidemic,HMGCoA reductase inhibitor,Apoptosis,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{54454}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    3.8964    0.7545    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -2.5112   -6.1125    0.0000 N   0  0
   -2.0454   -7.5384    0.0000 N   0  0
   -0.5454   -7.5360    0.0000 N   0  0
   -0.0841   -6.1087    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    9.0967   -3.7463    0.0000 O   0  0
    9.0946   -5.2471    0.0000 C   0  0
   10.3929   -6.0001    0.0000 C   0  0
   10.3908   -7.5010    0.0000 C   0  0
   11.6890   -8.2540    0.0000 C   0  0
   11.6869   -9.7548    0.0000 C   0  0
   12.9833  -10.5094    0.0000 C   0  0
   12.9782  -12.0094    0.0000 C   0  0
   11.6766  -12.7549    0.0000 C   0  0
   10.3801  -12.0005    0.0000 C   0  0
   10.3853  -10.5005    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  1  0
 14  4  1  0
 14  8  2  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 15  2  0
  2 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 29  1  0
 23 35  1  0
 35 36  2  0
 36 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15417

> <plate>
PLATE 002

> <well>
E3

> <supplier_cmpd_name>
Pranlukast

> <ctcr_id>
1033

> <supplier_cmpd_id>
T0694

> <smiles>
O=C(Nc1cccc2C(=O)C=C(Oc12)c3[nH]nnn3)c4ccc(OCCCCc5ccccc5)cc4

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Pranlukast,103177-37-3,103177373,"103177 37 3",Ono-1078,Ono1078,"Ono 1078","pranlukast hydrate","ONO 1078",N-(4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl)-4-(4-phenylbutoxy)benzamide,N(4oxo2(2Htetrazol5yl
)chromen8yl)4(4phenylbutoxy)benzamide,"N (4 o",Prestw-1317}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4887}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -3.9038    5.2484    0.0000 Cl  0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3034    3.7525    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15  9  1  0
 15 16  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15418

> <plate>
PLATE 002

> <well>
E4

> <supplier_cmpd_name>
Lamotrigine

> <ctcr_id>
4982

> <supplier_cmpd_id>
T0680

> <smiles>
Nc1nnc(c(N)n1)c2cccc(Cl)c2Cl

> <pd_targets>
{CYP2D6,MAPK1,BLM,DFRA17,SCN2A,SCN1A,SCN3A,SCN10A,PMP22,CHRM1,SCN4A,SCN5A,SCN9A,SCN11A,SCN7A,SCN8A,CACNA1E,ADORA1,ADORA2A,ADRA1A,ADRA2A,ADRB1,DRD1,DRD5,DRD2,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,G
ABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,HRH1,OPRK1,CHRNA1,HTR2A,HTR3A,GRIA1}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Unclassified protein","Membrane receptor","Cytochrome P450",Kinase,Oxidoreductase,"Voltage-gated ion channel","Family A G protein-coupled receptor","Ligand-gated ion channel","C
ytochrome P450 family 2","Protein Kinase","Voltage-gated sodium channel","Small molecule receptor (family A GPCR)","Voltage-gated calcium channel","GABA-A receptor","Peptide receptor (family A GPCR)",
"Nicotinic acetylcholine receptor","5HT3 receptor","Ionotropic glutamate receptor","Cytochrome P450 family 2D","CMGC protein kinase group","Monoamine receptor","Nucleotide-like receptor (family A GPCR
)","Short peptide receptor (family A GPCR)","Nicotinic acetylcholine receptor alpha subunit","AMPA receptor","Cytochrome P450 2D6","CMGC protein kinase MAPK family","Acetylcholine receptor","Adenosine
 receptor","Adrenergic receptor","Dopamine receptor","Histamine receptor","Opioid receptor","Serotonin receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Cytochrome P450","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","G protein-coupled receptors","Ligand-gated ion channels","CYP2 family: drug metabolising subset
","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Voltage-gated sodium channels","Acetylcholine receptors (muscarinic)","Voltage-gated calcium channels","Adenosine receptors",Adrenoceptors,"Dopamine 
receptors","Histamine receptors","Opioid receptors","Nicotinic acetylcholine receptors","5-Hydroxytryptamine receptors","5-HT<sub>3</sub> receptors","Ionotropic glutamate receptors","Mitogen-activated
 protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System","DNA Repair","Developmental Biology","Signal Transduction",Disease,"Gene expression (Transcription)","Neuronal System","Metabolism of proteins","Biological oxidations","Inn
ate Immune System","DNA Double-Strand Break Repair","Nervous system development","Signaling by GPCR","Integration of energy metabolism","Infectious disease","RNA Polymerase II Transcription","Transmis
sion across Chemical Synapses","Post-translational protein modification","Phase I - Functionalization of compounds","Toll-like Receptor Cascades","Homology Directed Repair","Axon guidance","EGR2 and S
OX10-mediated initiation of Schwann cell myelination","GPCR ligand binding","Regulation of insulin secretion","Leishmania infection","Generic Transcription Pathway","Neurotransmitter receptors and pos
tsynaptic signal transmission","Asparagine N-linked glycosylation","Cytochrome P450 - arranged by substrate type","Toll Like Receptor 5 (TLR5) Cascade","HDR through Homologous Recombination (HRR) or S
ingle Strand Annealing (SSA)","L1CAM interactions","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Transcriptional Regulation by MECP2","Acetylcholine binding and dow
nstream events","Transport to the Golgi and subsequent modification",Xenobiotics,"MyD88 cascade initiated on plasma membrane","HDR through Homologous Recombination (HRR)","Interaction between L1 and A
nkyrins","Amine ligand-binding receptors","Nucleotide-like (purinergic) receptors","Anti-inflammatory response favouring Leishmania parasite infection","MECP2 regulates neuronal receptors and channels
","Postsynaptic nicotinic acetylcholine receptors","ER to Golgi Anterograde Transport","CYP2E1 reactions","MAP kinase activation","Homologous DNA Pairing and Strand Exchange","Muscarinic acetylcholine
 receptors","Adenosine P1 receptors","ADORA2B mediated anti-inflammatory cytokines production",Adrenoceptors,"Dopamine receptors","Histamine receptors","Highly calcium permeable postsynaptic nicotinic
 acetylcholine receptors","Serotonin receptors","Cargo concentration in the ER","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange"
,"ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A}

> <broad_moa>
{"serotonin receptor antagonist","sodium channel blocker"}

> <synonyms>
{lamotrigine,84057-84-1,84057841,"6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine","6(2,3Dichlorophenyl)1,2,4triazine3,5diamine",Lamictal,"Lamictal Cd","Lamictal XR","Lamotriginum (Latin)","Lamotrig
ina (Spanish)",Lamotriginum,"BW 430C",BW-430C,BW430C,Lamotrigina,"Lamictal ODT",3,5-Diamino-6-(2,5Diamino6(2,3-dichl,3dichl,T0680,SAM001246697,1505610,Prestw-1492,Lamotrigine,CPD000058464,LAMOTRIGINE}

> <pdid>
PD000352

> <targets>
{Autophagy,Sodium Channel}

> <classes>
{anticonvulsant,Autophagy,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{3878}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2982   -3.7531    0.0000 C   0  0
    1.2961   -5.2539    0.0000 C   0  0
    2.5943   -6.0070    0.0000 C   0  0
    2.5944   -7.5070    0.0000 C   0  0
    3.8934   -8.2570    0.0000 C   0  0
    3.8934   -9.7570    0.0000 O   0  0
    5.1924   -7.5071    0.0000 C   0  0
    5.1925   -6.0071    0.0000 C   0  0
    6.4915   -5.2571    0.0000 O   0  0
    3.8935   -5.2570    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 20  1  0
 17 28  1  0
 28  8  1  0
 28 12  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15419

> <plate>
PLATE 002

> <well>
E5

> <supplier_cmpd_name>
Mevastatin

> <ctcr_id>
1927

> <supplier_cmpd_id>
T0683

> <smiles>
CCC(C)C(=O)OC1CCC=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12

> <pd_targets>
{HMGCR,MAPK1,NPSR1,SMN1,KMT2A,MEN1,ALDH1A1,FTL,RORC,HTT,MTOR,ABCB11}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Epigenetic regulator","Unclassified protein","Transcription factor",Transporter,Oxidoreductase,Kinase,"Family A G protein-coupled receptor",Reader,"Nuclear receptor","Prim
ary active transporter","Protein Kinase","Peptide receptor (family A GPCR)","Methyl-lysine/arginine binding protein",Bromodomain,"Nuclear hormone receptor subfamily 1","ATP-binding cassette","CMGC pro
tein kinase group","Short peptide receptor (family A GPCR)","Tudor domain","Nuclear hormone receptor subfamily 1 group F","Atypical protein kinase group","ABCB subfamily","CMGC protein kinase MAPK fam
ily","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Lanosterol biosynthesis pathway","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Nuclear hormone receptors","ATP-binding cassette transporter family","CMGC: Cont
aining CDK",MAPK,GSK3,"CLK families","Neuropeptide S receptor","1F. Retinoic acid-related orphans",Atypical,"ABCB subfamily","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3'
 kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System",Disease,"Metabolism of RNA","Vesicle-mediated transport","Gene expression (Transcription)","Metabolism of lipids","Innate Immune System","Infectious disease","Metabolism of
 non-coding RNA","Biological oxidations","Membrane Trafficking","RNA Polymerase II Transcription","Metabolism of steroids","Toll-like Receptor Cascades","Leishmania infection","snRNP Assembly","Phase 
I - Functionalization of compounds","trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Toll Like Receptor 5 (TLR5) Cascade
","Leishmania parasite growth and survival","Ethanol oxidation","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX3","Transcriptional Regulation by MECP2","Transcriptional Regul
ation by TP53","Bile acid and bile salt metabolism","Activation of gene expression by SREBF (SREBP)","MyD88 cascade initiated on plasma membrane","Anti-inflammatory response favouring Leishmania paras
ite infection","RUNX3 Regulates Immune Response and Cell Migration","Regulation of MECP2 expression and activity","Regulation of TP53 Activity","Synthesis of bile acids and bile salts","MAP kinase act
ivation","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAPK targets/
 Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{HMGCR}

> <broad_moa>
{"HMGCR inhibitor"}

> <synonyms>
{compactin,Compactin;ML236B,MLS002702124,NSC281245,84173-29-5,84173295,NCIChal_000002,NCIChal000002,NCIChal-000002,"NCIChal 000002",SCHEMBL7721400,CHEMBL1710493,HMS3372K09,HMS3394P07,"BRL 2485",BRL-24
85,BRL2485,AKOS025149489,NSC-281245,LS-15021,LS15021,NCI60_002287,NCI60002287,NCI60-002287,"NCI60 002287",SMR001565691,FT-0602328,FT0602328,58948-09-7,58948097,T0683,"NSC 281245",Mevastatin}

> <pdid>
PD000447

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2854}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

  5  4  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 N   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 N   0  0
    3.8993    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15420

> <plate>
PLATE 002

> <well>
E6

> <supplier_cmpd_name>
Hydroxyurea

> <ctcr_id>
6915

> <supplier_cmpd_id>
T0676

> <smiles>
NC(=O)NO

> <pd_targets>
{PMP22,BLM,CA2,LMNA,NFKB1,CYP3A4,CA9,CA5A,RRM2,RRM1,RRM2B}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Other nuclear protein","Other cytosolic protein",Lyase,"Cytochrome P450",Oxidoreductase,"Cytochrome P450 family 3","Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases","Cytochrome P450","1.17.4.1 Ribonucleoside-diphosphate reductases","CYP3 family"}

> <pathway_reactome>
{"Developmental Biology","DNA Repair","Transport of small molecules","Cell Cycle","Immune System",Metabolism,"Cellular responses to external stimuli","Nervous system development","DNA Double-Strand Br
eak Repair","O2/CO2 exchange in erythrocytes",Mitotic,"Cytokine Signaling in Immune system","Metabolism of lipids","Cellular responses to stress","Reversible hydration of carbon dioxide","Metabolism o
f nucleotides","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","Erythrocytes take up carbon dioxide and release oxygen","M Phase","Signaling by Interleukins
","Biosynthesis of specialized proresolving mediators (SPMs)","Cellular response to hypoxia","Mitotic G1 phase and G1/S transition","Interconversion of nucleotide di- and triphosphates","HDR through H
omologous Recombination (HRR) or Single Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Interleukin-1 family signaling","Biosynthesis of DHA-derived SPMs","Regulation of gene expression by H
ypoxia-inducible Factor","G1/S Transition","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Interleukin-1 signaling","Biosynthesis of maresins","G1/S-Specific Transcription","Homologou
s DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Presynaptic phase of homologous DNA pairing and 
strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{RRM1,RRM2,RRM2B}

> <broad_moa>
{"ribonucleotide reductase inhibitor"}

> <synonyms>
{Hydroxycarbamide,127-07-1,127071,"127 07 1",N-Hydroxyurea,NHydroxyurea,"N Hydroxyurea",Hydrea,1-HYDROXYUREA,1HYDROXYUREA,"1 HYDROXYUREA",Oxyurea,"Carbamoyl oxime",Biosupressin,Hydroxycarbamine,"Urea,
 hydroxy-","Urea, hydroxy",Onco-carbide,Oncocarbide,"Onco carbide","Carbamohydroxamic acid","Carbamohydroximic acid","Carbamyl hydroxamate",Hydura,Litalir,T0676,32065,NSC32065,1500344,"NSC 32065
NSC 32065",Hydroxyurea,HYDROXYUREA}

> <pdid>
PD002298

> <targets>
{Apoptosis,Autophagy,DNA/RNA Synthesis,HIV}

> <classes>
{antineoplastic,inhibits ribonucleoside diphosphate reductase,Ribonucleoside diphosphate reductase inhibitor,Anti-infection,Apoptosis,Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{3657}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1047   -0.0031    0.0000 S   0  0
   -5.8570    1.2946    0.0000 O   0  0
   -5.8532   -1.3040    0.0000 C   0  0
   -7.3541   -1.3071    0.0000 C   0  0
   -8.1042   -0.0081    0.0000 N   0  0
   -9.6042   -0.0082    0.0000 C   0  0
  -10.3542   -1.3072    0.0000 C   0  0
  -11.8542   -1.3073    0.0000 C   0  0
   -9.6041   -2.6062    0.0000 C   0  0
  -10.3518   -3.9076    0.0000 O   0  0
   -9.5998   -5.2055    0.0000 C   0  0
   -8.1041   -2.6062    0.0000 C   0  0
   -7.3541   -3.9052    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10  6  1  0
 10 11  2  0
 11  3  1  0
  8 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23 15  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15421

> <plate>
PLATE 002

> <well>
E7

> <supplier_cmpd_name>
Omeprazole

> <ctcr_id>
1111

> <supplier_cmpd_id>
T0757

> <smiles>
COc1ccc2nc([nH]c2c1)[S](=O)Cc3ncc(C)c(OC)c3C

> <pd_targets>
{FASN,CYP2C9,HPGD,DDAH1,CYP3A4,KDM4E,ALDH1A1,FFP,ALD,RORC,CYP1A2,ATP4A,ATP4B,HSD17B10,HTT,MCL1,ABCB1,CYP2C19,MAPT,PKM,ABCB11,GSTO1,ATP1A1,ATP1A2,ATP1A3,ATP1A4,ATP1B1,ATP1B2,ATP1B3,FXYD2,KMT2A,MEN1,ENG
ASE,BRS3,CLCN2,AHR}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor",Transporter,"Unclassified protein","Other cytosolic protein","Membrane receptor","Ion channel",Transferase,"Cytochrome P450",Hydrolase,Eraser,Oxid
oreductase,"Nuclear receptor","Primary active transporter",Reader,"Family A G protein-coupled receptor","Other ion channel","Cytochrome P450 family 2","Cytochrome P450 family 3","Lysine demethylase","
Nuclear hormone receptor subfamily 1","Cytochrome P450 family 1","P-type ATPase","ATP-binding cassette",Bromodomain,"Peptide receptor (family A GPCR)","Chloride channel","Cytochrome P450 family 2C","C
ytochrome P450 family 3A","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 1A","Hydrogen potassium ATPase","ABCB subfamily","Sodium potassium ATPase",
"Short peptide receptor (family A GPCR)","ClC chloride channel","Cytochrome P450 2C9","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 1A1","Cytochrome P4
50 2C19","GRP-related receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Ion channels","2.3.1.-  Acyltransferases","Cytochrome P450","Eicosanoid turnover","L-Arginine turnover","Chromatin modifying enzymes","Nuclear 
hormone receptors","B-cell lymphoma 2 (Bcl-2) protein family","ATP-binding cassette transporter family","2.7.1.40 Pyruvate kinases","2.5.1.18 Glutathione transferases","G protein-coupled receptors","P
-type ATPases","Other ion channels","Aryl hydrocarbon receptor","CYP2 family: drug metabolising subset","Prostaglandin synthases","Dimethylarginine dimethylaminohydrolases","CYP3 family","1.14.11.- Hi
stone demethylases","1F. Retinoic acid-related orphans","CYP1 family","ABCB subfamily","Orphan and other 7TM receptors","P2C P-type ATPases","Chloride channels","Class A Orphans",H<sup>+</sup>/K<sup>+
</sup>-ATPases,"ClC family"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Immune System","Neuronal System","Metabolism of proteins","Signal Transduction","Transport of small molecules","Metabolism of lipids","Biological oxidati
ons","Metabolism of nitric oxide: NOS3 activation and regulation","RNA Polymerase II Transcription","Metabolism of amino acids and derivatives","Cytokine Signaling in Immune system","Abacavir transpor
t and metabolism","Transmission across Chemical Synapses","Metabolism of carbohydrates","Post-translational protein modification","Signaling by GPCR","Ion channel transport","Metabolism of steroids","
Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","eNOS activation","Generic Transcription Pathway","Branched-chain amino acid catabolism","Signalin
g by Interleukins","Abacavir transmembrane transport","Neurotransmitter receptors and postsynaptic signal transmission","Glucose metabolism","Asparagine N-linked glycosylation","GPCR ligand binding","
Ion transport by P-type ATPases","Stimuli-sensing channels","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs",
"Ethanol oxidation","Transcriptional regulation by RUNX3","Transcriptional Regulation by MECP2","Interleukin-4 and Interleukin-13 signaling","Activation of NMDA receptors and postsynaptic events",Glyc
olysis,"Bile acid and bile salt metabolism","Interleukin-12 family signaling","N-glycan trimming in the ER and Calnexin/Calreticulin cycle","Class A/1 (Rhodopsin-like receptors)","Activation of gene e
xpression by SREBF (SREBP)",Xenobiotics,"Biosynthesis of D-series resolvins","Biosynthesis of maresins","RUNX3 Regulates Immune Response and Cell Migration","Regulation of MECP2 expression and activit
y","Post NMDA receptor activation events","Synthesis of bile acids and bile salts","Interleukin-12 signaling","Peptide ligand-binding receptors","Endogenous sterols","CYP2E1 reactions","Biosynthesis o
f maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Activation of AMPK downstream of NMDARs","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"
,"Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation"}

> <broad_targets>
{ATP4A,CLCN2}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{SR-01000003003,SR01000003003,Omperazole,omeprazole,73590-58-6,73590586,Prilosec,Losec,Antra,Esomeprazole,Omeprazon,Audazol,Omapren,Omepral,Parizac,Zegerid,Mopral,Miol,Belmazol,Ceprandal,Dizprazol,Dud
encer,Emeproton,Epirazole,Gastrimut,Gastroloc,Gibancer,Indurgan,Inhi,SAM001246900,1505693,Prestw-493,CPD000058847,OMEPRAZOLE,Omeprazole}

> <pdid>
PD000331

> <targets>
{}

> <classes>
{"gastric acid depressant"}

> <pubchem_cids>
{4594}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    6.1212   -6.9101    0.0000 C   0  0
    5.5083   -5.5410    0.0000 C   0  0
    4.0404   -5.2322    0.0000 S   0  0
    3.8995   -3.7516    0.0000 C   0  0
    2.5997   -3.0012    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8976   -0.7500    0.0000 O   0  0
    3.8982   -2.2498    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2496   -3.1278    0.0000 N   0  0
    6.2556   -4.2405    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
  4 16  2  0
 16 17  1  0
 17  2  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15422

> <plate>
PLATE 002

> <well>
E8

> <supplier_cmpd_name>
Sulfamethizole

> <ctcr_id>
633

> <supplier_cmpd_id>
T0754

> <smiles>
Cc1sc(N[S](=O)(=O)c2ccc(N)cc2)nn1

> <pd_targets>
{LMNA,ALDH1A1,RECD,LEF,AMPC,FOLP}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,Oxidoreductase,Protease,Hydrolase,Transferase,"Metallo protease","Metallo protease MAE clan","Metallo protease M34 family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Disease,Mitotic,"Biological oxidations","Infectious disease","M Phase","Phase I - Functionalization of compounds","Uptake and actions of bacterial toxins","Mitotic Metaphase a
nd Anaphase","Ethanol oxidation","Uptake and function of anthrax toxins","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial antifolate"}

> <synonyms>
{RESTW74,sulfamethizole,144-82-1,144821,Sulfamethizol,Rufol,Sulphamethizole,Sulfamethylthiadiazole,Proklar,Sulfamethizolum,Sulfametizol,"4-Amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide","
4AminoN(5methyl1,3,4thiadiazol2yl)benzenesulfonamide",Benzenesulfonamide,4-amino-N-(5-methyl-1,4aminoN(5methyl1,3,4-thiadiazol-2-y,4thiadiazol2y,T0754,1500549,Prestw-742,Sulfamethizole,SULFAMETHIZOLE}

> <pdid>
PD001747

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5328}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    6.1212   -6.9101    0.0000 C   0  0
    5.5083   -5.5411    0.0000 C   0  0
    6.2556   -4.2405    0.0000 N   0  0
    5.2496   -3.1278    0.0000 O   0  0
    3.8995   -3.7516    0.0000 C   0  0
    2.5997   -3.0012    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8976   -0.7500    0.0000 O   0  0
    3.8982   -2.2498    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    4.0404   -5.2322    0.0000 C   0  0
    2.9218   -6.2315    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
  5 17  2  0
 17  2  1  0
 17 18  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15423

> <plate>
PLATE 002

> <well>
E9

> <supplier_cmpd_name>
Sulfisoxazole

> <ctcr_id>
4568

> <supplier_cmpd_id>
T0750

> <smiles>
Cc1noc(N[S](=O)(=O)c2ccc(N)cc2)c1C

> <pd_targets>
{KMT2A,MEN1,TSHR,EDNRA,CYP2C19,EDNRB,FOLP}

> <pathway_gtopdb>
{"Epigenetic regulator","Membrane receptor",Enzyme,Reader,"Family A G protein-coupled receptor","Cytochrome P450",Transferase,Bromodomain,"Peptide receptor (family A GPCR)","Cytochrome P450 family 2",
"Glycohormone receptor","Short peptide receptor (family A GPCR)","Cytochrome P450 family 2C","Endothelin receptor","Cytochrome P450 2C19"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Glycoprotein hormone receptors","Endothelin receptors","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Disease,"Signal Transduction",Metabolism,"Infectious disease","Signaling by GPCR","Biological oxidations","Leishmania infection","GPCR ligand binding","Phase I - Functionalization of compounds","Leis
hmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","Anti-inflammatory response favouring Leishmania parasite infection","Peptide
 ligand-binding receptors",Xenobiotics,"ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial antifolate"}

> <synonyms>
{NSC-38588,NSC38588,NSC757343,sulfisoxazole,Sulfafurazole,127-69-5,127695,Sulphafurazole,Sulfisoxazol,Sulfafurazol,Sulfaisoxazole,Sulfofurazole,Sulfisoxasole,Sulphaisoxazole,Gantrisin,Sulfadimethyliso
xazole,Alphazole,Amidoxal,Sulfalar,Sulfoxol,Sulfisoxazole,T0750,SAM002554929,1500555,Prestw-334,CPD000037657,SULFISOXAZOLE}

> <pdid>
PD001741

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5344}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    6.4897   -5.2632    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5109    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -4.0404    5.2322    0.0000 S   0  0
   -5.5083    5.5410    0.0000 C   0  0
   -6.2556    4.2405    0.0000 C   0  0
   -5.2496    3.1278    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 15 17  2  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 19  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15424

> <plate>
PLATE 002

> <well>
E10

> <supplier_cmpd_name>
Succinylsulfathiazole

> <ctcr_id>
3843

> <supplier_cmpd_id>
T0749

> <smiles>
OC(=O)CCC(=O)Nc1ccc(cc1)[S](=O)(=O)Nc2sccn2

> <pd_targets>
{LMNA,TSHR}

> <pathway_gtopdb>
{"Other nuclear protein","Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Glycohormone receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Glycoprotein hormone receptors"}

> <pathway_reactome>
{"Cell Cycle",Disease,Mitotic,"Infectious disease","M Phase","Leishmania infection","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Mitotic Anaphase","Anti-inflammatory res
ponse favouring Leishmania parasite infection","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{DHFR}

> <broad_moa>
{"dihydrofolate reductase inhibitor"}

> <synonyms>
{succinylsulfathiazole,116-43-8,116438,Cremosuxidine,Sulfasuxidine,Colistatin,Succinylsulphathiazole,Sulfasuccidine,Sulfasuccinil,Sulfadigesin,Sulfasuccithiazole,Sulfasuccidin,Sulfenterone,Kaoxidin,Ka
oxidine,4'-(2-Thiazolylsulfamoyl)succina,4'(2Thiazolylsulfamoyl)succina,T0749,1502025,Prestw-702,Succinylsulfathiazole,SUCCINYLSULFATHIAZOLE}

> <pdid>
PD001424

> <targets>
{Antibiotic,Bacterial}

> <classes>
{antibacterial,Anti-infection}

> <pubchem_cids>
{5315}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -4.0404    5.2322    0.0000 S   0  0
   -5.5083    5.5410    0.0000 C   0  0
   -6.2556    4.2405    0.0000 C   0  0
   -5.2496    3.1278    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 12  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15425

> <plate>
PLATE 002

> <well>
E11

> <supplier_cmpd_name>
Sulfathiazole

> <ctcr_id>
4549

> <supplier_cmpd_id>
T0747

> <smiles>
Nc1ccc(cc1)[S](=O)(=O)Nc2sccn2

> <pd_targets>
{KDM4E,ALDH1A1,LASR,RECD,FOLP,LMNA,EDNRA,PRMT6}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Transcription factor","Other nuclear protein","Membrane receptor",Eraser,Oxidoreductase,Transferase,"Family A G protein-coupled receptor",Writer,"Lysine demethylase","P
eptide receptor (family A GPCR)","Protein methyltransferase","Jumonji domain-containing","Short peptide receptor (family A GPCR)","Protein arginine methyltransferase","Endothelin receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","G protein-coupled receptors","L-Arginine turnover","1.14.11.- Histone demethylases","Endothelin receptors","2.1.1.- Protein arginine N-methyltransfera
ses"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Signal Transduction","Gene expression (Transcription)","Biological oxidations",Mitotic,"Signaling by GPCR","RNA Polymerase II Transcription","Phase I - Functionalization of c
ompounds","M Phase","GPCR ligand binding","Generic Transcription Pathway","Ethanol oxidation","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Transcriptional regulation by RUN
X1","Mitotic Anaphase","Peptide ligand-binding receptors","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Nuclear Envelope (NE) Reassembly","Initiation of Nucl
ear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"dihydropteroate synthase inhibitor"}

> <synonyms>
{sulfathiazole,72-14-0,72140,Sulphathiazole,Sulfathiazol,2-Sulfanilamidothiazole,2Sulfanilamidothiazole,Sulfanilamidothiazole,Thiazamide,Norsulfasol,Norsulfazole,2-Sulfonamidothiazole,2Sulfonamidothia
zole,4-Amino-N-(thiazol-2-yl)benzenesulfonamide,4AminoN(thiazol2yl)benzenesulfonamide,2-(Sulfanilylamino)thiazole,2(Sulfanilylamino)thiazole,Neostrepsan,Sulf,T0747,1500553,Prestw-16,Sulfathiazole,SULF
ATHIAZOLE}

> <pdid>
PD001743

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5340}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 10  8  0  0  0  0            999 V2000
    9.0000    0.3750    0.0000 Cl  0  0
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 N   0  0
    1.3000    2.2500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 N   0  0
    3.9000    0.7500    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 N   0  0
    6.4992    0.7496    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15426

> <plate>
PLATE 002

> <well>
F2

> <supplier_cmpd_name>
Metformin hydrochloride

> <ctcr_id>
1065

> <supplier_cmpd_id>
T0740

> <smiles>
Cl.CN(C)C(=N)NC(N)=N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"amino((dimethylamino)iminomethyl)carboxamidine, chloride","Metformin HCl form I","Metformin HCl form II",SBB056982,AKOS024362789,ST50993881,"Metformin hydrochloride",1115-70-4,1115704,"1,1-Dimethylb
iguanide hydrochloride","1,1Dimethylbiguanide hydrochloride","Metformin HCL",1505814,Prestw-4,"METFORMIN HYDROCHLORIDE"}

> <pdid>
PD010095

> <targets>
{}

> <classes>
{antidiabetic}

> <pubchem_cids>
{43833340,14219,53630812}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 13 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 I   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  2  1  0
 13  8  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15427

> <plate>
PLATE 002

> <well>
F3

> <supplier_cmpd_name>
Clioquinol

> <ctcr_id>
3434

> <supplier_cmpd_id>
T0876

> <smiles>
Oc1c(I)cc(Cl)c2cccnc12

> <pd_targets>
{CYP1A2,LMNA,HIF1A,RORC,ALOX15,COMT,HDAC8,HDAC7,MAPT,KMT2A,MEN1,HPGD,TP53,OPRK1,BOTA,HDAC2,HDAC5,CA15,KDM4E,HTT,HSP90AA1,APE1,HDAC9,ALDH1A1,CYP3A4,APP,TGR,FFP,ALOX12,MAPK1,HDAC4,ALOX5,ALOX15B,ALD,SKA,
NR1I2,STAT6,MAPK14,ACE,AMPC,HSD17B10,MAPK3,ERBB2,PAX8,ADORA3,EGFR,LCK,FYN}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Transcription factor","Unclassified protein","Epigenetic regulator","Other cytosolic protein","Membrane receptor","Cytochrome P450",Protease,"Nuclear receptor",Oxidore
ductase,Transferase,Eraser,Reader,"Family A G protein-coupled receptor",Lyase,Kinase,"Cytochrome P450 family 1","Cysteine protease","Nuclear hormone receptor subfamily 1","Histone deacetylase",Bromodo
main,"Peptide receptor (family A GPCR)","Metallo protease","Lysine demethylase","Cytochrome P450 family 3","Protein Kinase","Cytochrome P450 family 1A","Cysteine protease CA clan","Nuclear hormone rec
eptor subfamily 1 group F","HDAC class I","HDAC class IIa","Short peptide receptor (family A GPCR)","Metallo protease MAE clan","Jumonji domain-containing","Metallo protease MH clan","Cytochrome P450 
family 3A","CMGC protein kinase group","Cytochrome P450 1A1","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group F member 3","Opioid receptor","Metallo protease M27 family","Met
allo protease M18 family","Cytochrome P450 3A4","CMGC protein kinase MAPK family","CMGC protein kinase ERK1","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 1 group 
I member 2",Hydrolase,"Small molecule receptor (family A GPCR)","TK protein kinase group","Nucleotide-like receptor (family A GPCR)","Metallo protease M2 family","Tyrosine protein kinase EGFR family",
"Adenosine receptor","Tyrosine protein kinase Src family","CMGC protein kinase p38 subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Cytochrome P450","Nuclear hormone receptors","Eicosanoid turnover","Catecholamine turnover","Chromatin modifying enzymes","G protein-coupled receptors","Hea
t shock proteins","Kinases (EC 2.7.x.x)","CYP1 family","1F. Retinoic acid-related orphans",Lipoxygenases,"3.5.1.- Histone deacetylases (HDACs)","Prostaglandin synthases","Opioid receptors","1.14.11.- 
Histone demethylases","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily","1I. Vitamin D receptor-like receptors","Transcrip
tion factors","Peptidases and proteinases","Catalytic receptors","STAT transcription factors","MA: Metallo (M) Peptidases","Receptor kinases","Adenosine receptors","M2: Angiotensin-converting  (ACE an
d ACE2)","TK: Tyrosine kinase","p38 subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Cellular responses to external stimuli","Gene expression (Transcription)","Neuronal System",Disease,"Immune System","Biological oxidations",Mitotic,"Cellular responses to str
ess","RNA Polymerase II Transcription","Metabolism of lipids","Transmission across Chemical Synapses","Diseases of signal transduction by growth factor receptors and second messengers","Cell Cycle Che
ckpoints","Infectious disease","Innate Immune System","Phase I - Functionalization of compounds","M Phase","Cellular response to hypoxia","Generic Transcription Pathway","Biosynthesis of specialized p
roresolving mediators (SPMs)","Neurotransmitter clearance","Signaling by NOTCH1 in Cancer","Neurotransmitter receptors and postsynaptic signal transmission","G1/S DNA Damage Checkpoints","Uptake and a
ctions of bacterial toxins","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylati
on of Hypoxia-inducible Factor Alpha","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","Dopamine clearance from the synaptic cleft","Signaling by NOTCH1 HD+PEST Domain Mutants 
in Cancer","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Transcriptional Regulation by MECP2","Neurotoxicity of 
clostridium toxins","Transcriptional Regulation by TP53","G2/M Transition","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX2",Xenobiotics,"Mitotic Anaphase
","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Enzymatic degradation of dopamine by COMT","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Post NMDA re
ceptor activation events","Biosynthesis of D-series resolvins","p53-Dependent G1 DNA Damage Response","MECP2 regulates neuronal receptors and channels","Toxicity of botulinum toxin type A (botA)","Reg
ulation of TP53 Activity","Regulation of MECP2 expression and activity","Centrosome maturation","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","RUNX2 regulates bone developmen
t","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and resolvins","Separation of Sister Chromatids","Ac
tivation of AMPK downstream of NMDARs","Stabilization of p53","Regulation of TP53 Activity through Acetylation","Loss of proteins required for interphase microtubule organization from the centrosome",
"Biosynthesis of maresin-like SPMs","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Biosynthesis of DPAn-3-derived maresins","MAP kinase activation","RUNX2 regulates chondrocy
te maturation","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP 
kinases","ERK/MAPK targets","ERKs are inactivated","Metabolism of proteins","Post-translational protein modification","Fatty acid metabolism",SUMOylation,"Arachidonic acid metabolism","SUMO E3 ligases
 SUMOylate target proteins","Synthesis of 15-eicosatetraenoic acid derivatives","SUMOylation of intracellular receptors","Biosynthesis of DPAn-3-derived 13-series resolvins","Developmental Biology","S
ignal Transduction","Peptide hormone metabolism","Metabolism of amino acids and derivatives","Nervous system development","Signaling by GPCR","Cytosolic sensors of pathogen-associated DNA","Metabolism
 of Angiotensinogen to Angiotensins","Branched-chain amino acid catabolism","Axon guidance","GPCR ligand binding","GPCR downstream signalling","HIV Infection","STING mediated induction of host immune 
responses","Semaphorin interactions","Class A/1 (Rhodopsin-like receptors)","G alpha (q) signalling events","Host Interactions of HIV factors","STAT6-mediated induction of chemokines","Sema4D in semap
horin signaling","Nucleotide-like (purinergic) receptors","Gastrin-CREB signalling pathway via PKC and MAPK","The role of Nef in HIV-1 replication and disease pathogenesis","Sema4D induced cell migrat
ion and growth-cone collapse","Adenosine P1 receptors","EGFR Transactivation by Gastrin","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Nef and signa
l transduction","Nef Mediated CD4 Down-regulation","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{}

> <broad_moa>
{antiseptic}

> <synonyms>
{130-26-7,130267,5-Chloro-7-iodoquinolin-8-ol,5Chloro7iodoquinolin8ol,Iodochlorhydroxyquin,Chinoform,5-Chloro-8-hydroxy-7-iodoquinoline,5Chloro8hydroxy7iodoquinoline,Chloroiodoquin,Chloroiodoquine,Vio
form,Iodochloroxyquinoline,Cliquinol,5-Chloro-7-iodo-8-quinolinol,5Chloro7iodo8quinolinol,Iodochlorohydroxyquinoline,Ch,T0500,T0876,T0701,T0513,1505114,Prestw-886,Capitrol,Clioquinol,Broxyquinoline,Io
doquinol,CLIOQUINOL}

> <pdid>
PD000622

> <targets>
{Antibiotic,Autophagy,Fungal,Mitophagy}

> <classes>
{antiseptic,antiamebic,Anti-infection,Autophagy}

> <pubchem_cids>
{2788}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15428

> <plate>
PLATE 002

> <well>
F4

> <supplier_cmpd_name>
Nicotinic acid

> <ctcr_id>
3573

> <supplier_cmpd_id>
T0879

> <smiles>
OC(=O)c1cccnc1

> <pd_targets>
{HCAR2,ALDH1A1,GAA,APP,HCAR3,HCAR1,QPRT,NNMT}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Family A G protein-coupled receptor",Oxidoreductase,Hydrolase,Transferase,"Small molecule receptor (family A GPCR)","Carboxylic acid receptor","Hydroxycarboxylic acid rece
ptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","3.2.1.- Glycosidases","Hydroxycarboxylic acid receptors"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,Disease,"Immune System","Signaling by GPCR","Biological oxidations","Diseases of metabolism","Innate Immune System","Metabolism of vitamins and cofactors","GPCR ligan
d binding","Phase I - Functionalization of compounds","Diseases of carbohydrate metabolism","Toll-like Receptor Cascades","Metabolism of water-soluble vitamins and cofactors","Class A/1 (Rhodopsin-lik
e receptors)","Ethanol oxidation","Glycogen storage diseases","Toll Like Receptor 5 (TLR5) Cascade","Nicotinate metabolism","Hydroxycarboxylic acid-binding receptors","Glycogen storage disease type II
 (GAA)","MyD88 cascade initiated on plasma membrane","Nicotinamide salvaging","TAK1 activates NFkB by phosphorylation and activation of IKKs complex"}

> <broad_targets>
{DGAT2,HCAR1,HCAR2,HCAR3,NNMT,QPRT}

> <broad_moa>
{"NAD precursor","vitamin B"}

> <synonyms>
{"nicotinic acid",niacin,59-67-6,59676,"Pyridine-3-carboxylic acid","Pyridine3carboxylic acid","3-pyridinecarboxylic acid","3pyridinecarboxylic acid",3-Carboxypyridine,3Carboxypyridine,wampocap,Niaspa
n,Apelagrin,Pellagrin,Akotin,Daskil,Efacin,Pelonin,"Acidum nicotinicum",Linic,nicamin,nicobid,nicoca,T0879,SAM002554917,1500430,Prestw-881,"Nicotinic acid",CPD000059024,NIACIN,Niacin}

> <pdid>
PD001840

> <targets>
{}

> <classes>
{"vitamin (enzyme cofactor)",antihyperlipidemic}

> <pubchem_cids>
{117629482,938}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    7.7471   -4.0806    0.0000 C   0  0
    6.2556   -4.2405    0.0000 C   0  0
    5.5083   -5.5411    0.0000 O   0  0
    4.0404   -5.2322    0.0000 N   0  0
    3.8995   -3.7516    0.0000 C   0  0
    2.5997   -3.0012    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8976   -0.7500    0.0000 O   0  0
    3.8982   -2.2498    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2496   -3.1278    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
  5 17  1  0
 17  2  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15429

> <plate>
PLATE 002

> <well>
F5

> <supplier_cmpd_name>
Sulfamethoxazole

> <ctcr_id>
2756

> <supplier_cmpd_id>
T0885

> <smiles>
Cc1onc(N[S](=O)(=O)c2ccc(N)cc2)c1

> <pd_targets>
{RECD,EDNRA,POL,FOLP,ALDH1A1,MAPT}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other cytosolic protein",Oxidoreductase,"Family A G protein-coupled receptor",Protease,Transferase,"Peptide receptor (family A GPCR)","Aspartic protease","Short peptide re
ceptor (family A GPCR)","Aspartic protease AA clan","Endothelin receptor","Aspartic protease A2A subfamily"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Endothelin receptors"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Neuronal System","Signaling by GPCR","Biological oxidations","Transmission across Chemical Synapses","GPCR ligand binding","Phase I - Functionalization of compounds"
,"Neurotransmitter receptors and postsynaptic signal transmission","Class A/1 (Rhodopsin-like receptors)","Ethanol oxidation","Activation of NMDA receptors and postsynaptic events","Peptide ligand-bin
ding receptors","Post NMDA receptor activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{}

> <broad_moa>
{"PABA antagonist"}

> <synonyms>
{Sulpha-methoxizole,Sulphamethoxizole,Bactrim,Sulfamethalazole,sulfamethoxazole,723-46-6,723466,Sulphamethoxazole,Gantanol,Sulfisomezole,Sulfamethoxazol,Metoxal,4-Amino-N-(5-methyl-3-isoxazolyl)benzen
esulfonamide,4AminoN(5methyl3isoxazolyl)benzenesulfonamide,Sulfamethylisoxazole,Simsinomin,Radonil,Sinomin,Sul,T0885,SAM002554930,1500550,Prestw-177,Sulfamethoxazole,CPD000058223,SULFAMETHOXAZOLE}

> <pdid>
PD001746

> <targets>
{}

> <classes>
{antipneumocystis,antibacterial}

> <pubchem_cids>
{5329}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8983    0.7459    0.0000 O   0  0
   -2.6030    2.9977    0.0000 O   0  0
    0.0000    3.0000    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  4  8  1  0
  8  9  2  0
  8 10  1  0
  3 11  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15430

> <plate>
PLATE 002

> <well>
F6

> <supplier_cmpd_name>
Salicylic acid

> <ctcr_id>
13297

> <supplier_cmpd_id>
T0649

> <smiles>
c1cc(c(cc1O)C(=O)O)O

> <pd_targets>
{CA14,CA9,CA1,CA7,CA12,ALOX5,CA2}

> <pathway_gtopdb>
{Enzyme,Lyase,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases","Eicosanoid turnover",Lipoxygenases}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli","Immune System","Transport of small molecules","Reversible hydration of carbon dioxide","Cellular responses to stress","Cytokine Signaling in Immun
e system","Metabolism of lipids","O2/CO2 exchange in erythrocytes","Cellular response to hypoxia","Signaling by Interleukins","Biosynthesis of specialized proresolving mediators (SPMs)","Erythrocytes 
take up carbon dioxide and release oxygen","Regulation of gene expression by Hypoxia-inducible Factor","Interleukin-12 family signaling","Biosynthesis of DPA-derived SPMs","Interleukin-12 signaling","
Biosynthesis of DPAn-3 SPMs","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Biosynthesis of DPAn-3-derived 13-series resolvins"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"2,5-DIHYDROXYBENZOIC ACID","2,5DIHYDROXYBENZOIC ACID","gentisic acid",490-79-9,490799,"Benzoic acid, 2,5-dihydroxy-","Benzoic acid, 2,5dihydroxy","Hydroquinonecarboxylic acid",Gentisate,"5-Hydroxysa
licylic acid","5Hydroxysalicylic acid",Gensigen,Gensigon,"2,5-Dioxybenzoic acid","2,5Dioxybenzoic acid","2,5-Dhba","2,5Dhba","Gentisinic acid","Salicylic acid",5,T2857,"Gentisic acid"}

> <pdid>
PD002127

> <targets>
{Others}

> <classes>
{Immunology/Inflammation}

> <pubchem_cids>
{3469}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 19 22  0  0  0  0            999 V2000
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
    1.1978   -5.9469    0.0000 C   0  0
    1.2025   -7.4469    0.0000 N   0  0
   -0.2220   -7.9144    0.0000 C   0  0
   -0.8278   -9.2866    0.0000 C   0  0
   -2.3190   -9.4481    0.0000 C   0  0
   -3.2045   -8.2373    0.0000 C   0  0
   -2.5987   -6.8651    0.0000 C   0  0
   -1.1074   -6.7036    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  2  1  0
 10  5  1  0
  1 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 14  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15431

> <plate>
PLATE 002

> <well>
F7

> <supplier_cmpd_name>
3,3'-Diindolylmethane

> <ctcr_id>
683

> <supplier_cmpd_id>
T2991

> <smiles>
C(c1c[nH]c2ccccc12)c3c[nH]c4ccccc34

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{AR,HIF1A,IFNG,PI3}

> <broad_moa>
{"CHK inhibitor","cytochrome P450 activator","indoleamine 2","3-dioxygenase inhibitor"}

> <synonyms>
{3'DIINDOLYLMETHAN,AC-11611,AC11611,"3,3'-Diindolylmethane","3,3'Diindolylmethane",1968-05-4,1968054,diindolylmethane,di(1H-indol-3-yl)methane,di(1Hindol3yl)methane,"3,3'-Methylenebis-1H-indole","3,3'
Methylenebis1Hindole","3,3'-Methylenediindole","3,3'Methylenediindole",DIM,ARUNDINE,"1H-Indole, 3,3'-methylenebis-","1HIndole, 3,3'methylenebis",Di(3-indolyl)methane,Di(3indolyl)methane,"3,3'-Di-indol
ylmethane",3-(,3(,T2991,1505331,"3,3'-DIINDOLYLMETHANE"}

> <pdid>
PD000931

> <targets>
{Androgen Receptor,Autophagy}

> <classes>
{apoptosis inducer,Autophagy,Others}

> <pubchem_cids>
{3071}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 25  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    2.5987    1.5004    0.0000 C   0  0
    2.6012    3.0005    0.0000 C   0  0
    3.9014    3.7484    0.0000 C   0  0
    3.9038    5.2484    0.0000 O   0  0
    5.1993    2.9963    0.0000 C   0  0
    6.4995    3.7443    0.0000 O   0  0
    5.1969    1.4963    0.0000 C   0  0
    6.4947    0.7443    0.0000 O   0  0
    3.8967    0.7484    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12  5  1  0
 12 13  1  0
 13  2  1  0
 13 14  2  0
  3 15  1  6
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  2  0
 23 15  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15432

> <plate>
PLATE 002

> <well>
F8

> <supplier_cmpd_name>
Dihydromyricetin

> <ctcr_id>
7513

> <supplier_cmpd_id>
T2998

> <smiles>
O[C@@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c3cc(O)c(O)c(O)c3

> <pd_targets>
{APP,REP,SYNJ2}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,Transferase,Hydrolase}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Anti-infective targets","Inositol phosphate turnover","Viral protein targets","Inositol polyphosphate phosphatases","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{"Immune System",Disease,Metabolism,"Innate Immune System","Infectious disease","Metabolism of lipids","Toll-like Receptor Cascades","SARS-CoV Infections","Phospholipid metabolism","Toll Like Receptor
 5 (TLR5) Cascade","SARS-CoV-2 Infection","PI Metabolism","MyD88 cascade initiated on plasma membrane","SARS-CoV-2 Genome Replication and Transcription","Synthesis of PIPs at the plasma membrane","TAK
1 activates NFkB by phosphorylation and activation of IKKs complex","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{+)DIHYDROMYRICETI,AC-8004,AC8004,Dihydromyricetin,Ampelopsin,27200-12-0,27200120,Ampeloptin,(+)-Dihydromyricetin,(+)Dihydromyricetin,(+)-Ampelopsin,(+)Ampelopsin,"(2r,3r)-3,5,7-trihydroxy-2-(3,4,5-tr
ihydroxyphenyl)chroman-4-one","(2r,3r)3,5,7trihydroxy2(3,4,5trihydroxyphenyl)chroman4one",UNII-KD8QND6427,UNIIKD8QND6427,KD8QND6427,CHEBI:28429,(2R,3R)-3,3R)3,5,7,3',4',5'-hexahydrox,5'hexahydrox,S239
9}

> <pdid>
PD012048

> <targets>
{Others,Autophagy,DNA/RNA Synthesis,Influenza Virus,mTOR}

> <classes>
{Anti-infection,Autophagy,Cell Cycle/DNA Damage,PI3K/Akt/mTOR}

> <pubchem_cids>
{161557}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2494    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4970    0.7465    0.0000 C   0  0
   -7.7969    1.4967    0.0000 C   0  0
   -9.0963    0.7473    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3034    3.7525    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  5 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 13 17  2  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15433

> <plate>
PLATE 002

> <well>
F9

> <supplier_cmpd_name>
Honokiol

> <ctcr_id>
2818

> <supplier_cmpd_id>
T3001

> <smiles>
Oc1ccc(cc1CC=C)c2cc(CC=C)ccc2O

> <pd_targets>
{RORC,TGR,NA,PTGS2,PTGS1,FTL,POLB,GAA,CNR2,ALOX5,KMT2A,MEN1,MAPT,TIM10,GABRA1,GABRB2,GABRG2,GABRA2,CNR1,RXRA,GABRA3,GABRB1,GABRB3,GABRA5}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Unclassified protein","Membrane receptor","Epigenetic regulator","Other cytosolic protein","Ion channel","Nuclear receptor",Hydrolase,Oxidoreductase,"Family A G protein
-coupled receptor",Reader,"Ligand-gated ion channel","Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)",Bromodomain,"GABA-A receptor","Nuclear hormone receptor subfamily 
2","Nuclear hormone receptor subfamily 1 group F","Lipid-like ligand receptor (family A GPCR)","Nuclear hormone receptor subfamily 2 group B","Nuclear hormone receptor subfamily 1 group F member 3","C
annabinoid receptor","Nuclear hormone receptor subfamily 2 group B member 1"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Eicosanoid turnover","3.2.1.- Glycosidases","G protein-coupled receptors","1F. Retinoic acid-related orphans",Cyclooxygenase,"Cannabinoid receptors",Lip
oxygenases,"2B. Retinoid X receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Vesicle-mediated transport","DNA Repair",Disease,"Signal Transduction","Neuronal System","RNA Polymerase II Transcription","Metabolism of lipids","Membra
ne Trafficking","Base Excision Repair","Diseases of metabolism","Signaling by GPCR","Transmission across Chemical Synapses","Generic Transcription Pathway","Biosynthesis of specialized proresolving me
diators (SPMs)","Fatty acid metabolism","trans-Golgi Network Vesicle Budding","Resolution of Abasic Sites (AP sites)","Diseases of carbohydrate metabolism","GPCR downstream signalling","Neurotransmitt
er receptors and postsynaptic signal transmission","Metabolism of steroids","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Golgi Associated Ves
icle Biogenesis","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Glycogen storage diseases","G alpha (i) signalling events","Activation of NMDA receptors and postsynapt
ic events","Bile acid and bile salt metabolism","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","PCNA-Depend
ent Long Patch Base Excision Repair","Glycogen storage disease type II (GAA)","Post NMDA receptor activation events","Synthesis of bile acids and bile salts","Biosynthesis of DPAn-3-derived 13-series 
resolvins","Activation of AMPK downstream of NMDARs","Synthesis of bile acids and bile salts via 27-hydroxycholesterol"}

> <broad_targets>
{ALOX5,PTGS1,PTGS2}

> <broad_moa>
{"AKT inhibitor"}

> <synonyms>
{Honokiol,35354-74-6,35354746,"5,3'-Diallyl-2,4'-dihydroxybiphenyl","5,3'Diallyl2,4'dihydroxybiphenyl","NSC 293100","3,5'-Diallyl-4,2'-dihydroxybiphenyl","3,5'Diallyl4,2'dihydroxybiphenyl","Honokiol,(
S)",UNII-11513CCO0N,UNII11513CCO0N,"3',5-Diallylbiphenyl-2,4'-diol","3',5Diallylbiphenyl2,4'diol",C18H18O2,CPD000387107,CHEMBL16901,CHEBI:5759,3',5-diallyl-(1,5diallyl(1,1'-biph,1'biph,T3001,SAM001246
690}

> <pdid>
PD002976

> <targets>
{AKT,Akt,Autophagy,ERK,HCV}

> <classes>
{Anti-infection,Autophagy,MAPK/ERK Pathway,PI3K/Akt/mTOR,Stem Cell/Wnt}

> <pubchem_cids>
{72303}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.1996    1.4928    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    2.6020   -5.9998    0.0000 C   0  0
    2.6023   -7.5007    0.0000 C   0  0
    3.9009   -8.2513    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -2.5981   -3.0050    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  5  9  1  0
  9 10  2  0
 10  2  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 13 17  2  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15434

> <plate>
PLATE 002

> <well>
F10

> <supplier_cmpd_name>
Magnolol

> <ctcr_id>
3772

> <supplier_cmpd_id>
T3000

> <smiles>
Oc1ccc(CC=C)cc1c2cc(CC=C)ccc2O

> <pd_targets>
{MAPT,FTL,KDM4E,TIM10,RORC,KMT2A,MEN1,GAA,ALDH1A1,TGR,HPGD,NPSR1,CNR2,CNR1,GABRA1,GABRB2}

> <pathway_gtopdb>
{"Other cytosolic protein","Unclassified protein","Epigenetic regulator","Transcription factor",Enzyme,"Membrane receptor","Ion channel",Eraser,"Nuclear receptor",Reader,Hydrolase,Oxidoreductase,"Fami
ly A G protein-coupled receptor","Ligand-gated ion channel","Lysine demethylase","Nuclear hormone receptor subfamily 1",Bromodomain,"Peptide receptor (family A GPCR)","Small molecule receptor (family 
A GPCR)","GABA-A receptor","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Lipid-like ligand receptor (family A GPCR)","Nuclear hor
mone receptor subfamily 1 group F member 3","Neuropeptide receptor","Cannabinoid receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Nuclear hormone receptors","3.2.1.- Glycosidases","Eicosanoid turnover","G protein-coupled receptors","1.14.11.- Histone demethylases","1F. Retinoic a
cid-related orphans","Prostaglandin synthases","Neuropeptide S receptor","Cannabinoid receptors"}

> <pathway_reactome>
{"Neuronal System","Vesicle-mediated transport","Gene expression (Transcription)",Disease,Metabolism,"Signal Transduction","Transmission across Chemical Synapses","Membrane Trafficking","RNA Polymeras
e II Transcription","Diseases of metabolism","Biological oxidations","Metabolism of lipids","Infectious disease","Signaling by GPCR","Neurotransmitter receptors and postsynaptic signal transmission","
trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","Diseases of carbohydrate metabolism","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediator
s (SPMs)","Leishmania infection","GPCR downstream signalling","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX3","Glycog
en storage diseases","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","G alpha (i) signalling events","Post NMDA receptor activation events","RUNX3 Regu
lates Immune Response and Cell Migration","Glycogen storage disease type II (GAA)","Biosynthesis of D-series resolvins","Anti-inflammatory response favouring Leishmania parasite infection","Activation
 of AMPK downstream of NMDARs","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{GABRA1,PPARG}

> <broad_moa>
{"PPAR receptor agonist"}

> <synonyms>
{Magnolol,528-43-8,528438,"5,5'-Diallyl-(1,1'-biphenyl)-2,2'-diol","5,5'Diallyl(1,1'biphenyl)2,2'diol","5,5'-Diallyl-2,2'-biphenyldiol","5,5'Diallyl2,2'biphenyldiol","2,2'-Bichavicol","2,2'Bichavicol"
,"5,5'-Diallyl-2,2'-dihydroxybiphenyl","5,5'Diallyl2,2'dihydroxybiphenyl","NSC 293099",Dehydrodichavicol,UNII-001E35HGVF,UNII001E35HGVF,4-allyl-2-(5-allyl-2-hydroxy-phenyl)phenol,4allyl2(5allyl2hydrox
yphenyl)phenol,MFCD0001,T3000,S2321}

> <pdid>
PD010789

> <targets>
{Others,Autophagy,Bacterial,PPAR,RAR/RXR}

> <classes>
{Others,Anti-infection,Autophagy,Cell Cycle/DNA Damage,Metabolic Enzyme/Protease}

> <pubchem_cids>
{72300}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    6.4897   -5.2632    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1873   -7.5117    0.0000 N   0  0
    6.4837   -8.2663    0.0000 C   0  0
    6.4785   -9.7663    0.0000 C   0  0
    5.1769  -10.5118    0.0000 C   0  0
    3.8804   -9.7573    0.0000 C   0  0
    3.8856   -8.2573    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 10  1  0
 14 15  2  0
 15  7  1  0
  2 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15435

> <plate>
PLATE 002

> <well>
F11

> <supplier_cmpd_name>
Piperine

> <ctcr_id>
4023

> <supplier_cmpd_id>
T3002

> <smiles>
O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCCC3

> <pd_targets>
{MAOA,ALDH1A1,TRPV1,KDM4E,MAPK1,MAOB,HSD17B10,NPC1,RAB9A,RORC,TGR,AMPC,HPGD,SMN1,CYP3A4,CTSD,ALOX5,GABRA1,GABRB2,GABRG2,ABCB1}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Epigenetic regulator",Transporter,"Transcription factor",Oxidoreductase,"Voltage-gated ion channel",Eraser,Kinase,Hydrolase,"Nuclear receptor",Reader,"Cytochrome P450",Protease,
"Ligand-gated ion channel","Primary active transporter","Transient receptor potential channel","Lysine demethylase","Protein Kinase","Nuclear hormone receptor subfamily 1","Methyl-lysine/arginine bind
ing protein","Cytochrome P450 family 3","Aspartic protease","GABA-A receptor","ATP-binding cassette","Jumonji domain-containing","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group
 F","Tudor domain","Cytochrome P450 family 3A","Aspartic protease AA clan","ABCB subfamily","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3
A4","Aspartic protease A1A subfamily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Ion channels",Transporters,Receptors,"Catecholamine turnover","Voltage-gated ion channels","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","Nuclear 
hormone receptors","Eicosanoid turnover","Cytochrome P450","Peptidases and proteinases","ATP-binding cassette transporter family","Transient Receptor Potential channels","1.14.11.- Histone demethylase
s","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLC65 NPC-type cholesterol transporters","1F. Retinoic acid-related orphans","Prostaglandin synthases","CYP3 family","AA: Aspartic (A) Peptidases",L
ipoxygenases,"ABCB subfamily","Mitogen-activated protein kinases (MAP kinases)","A1: Pepsin","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Immune System","Signal Transduction","Gene expression (Transcription)","Metabolism of RNA","Biological oxidations","Ion channel transport","Innate Immune Sy
stem","Metabolism of amino acids and derivatives","Plasma lipoprotein assembly",remodeling,"and clearance","Signaling by Rho GTPases","RNA Polymerase II Transcription","Metabolism of lipids","Metaboli
sm of non-coding RNA","Signaling by Nuclear Receptors","Abacavir transport and metabolism","Phase I - Functionalization of compounds","Stimuli-sensing channels","Toll-like Receptor Cascades","Branched
-chain amino acid catabolism","Plasma lipoprotein clearance","Rho GTPase cycle","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","snRNP Assembly","ESR-mediat
ed signaling","Abacavir transmembrane transport","Amine Oxidase reactions","Ethanol oxidation","TRP channels","Toll Like Receptor 5 (TLR5) Cascade","LDL clearance","RHOBTB GTPase Cycle","Transcription
al regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Estrogen-dependent gene expression","Biosynthesis of DPA-derived SPMs","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and 
MAOB","MyD88 cascade initiated on plasma membrane","RHOBTB3 ATPase cycle","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of D-series resolvins","Biosynthesis of maresins","Biosynth
esis of DPAn-3 SPMs","MAP kinase activation","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived 13-series resolvins","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK t
argets","ERKs are inactivated"}

> <broad_targets>
{MAOA,MAOB,TRPV1}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{piperine,94-62-2,94622,1-Piperoylpiperidine,1Piperoylpiperidine,Piperin,Bioperine,"(E,E)-1-piperoylpiperidine","(E,E)1piperoylpiperidine","FEMA No. 2909","N-((E,E)-Piperoyl)piperidine","N((E,E)Pipero
yl)piperidine",7780-20-3,7780203,"Piperidine, 1-piperoyl-, (E,E)-","Piperidine, 1piperoyl, (E,E)",UNII-U71XL721QK,UNIIU71XL721QK,(2E,4E)-5-(1,4E)5(1,3-benzodioxol-5-yl)-1-piperidin-1-ylpent,3benzodiox
ol5yl)1piperidin1ylpent,T3002,1500873,Piperine,PIPERINE}

> <pdid>
PD001540

> <targets>
{Autophagy,Endogenous Metabolite,P-glycoprotein}

> <classes>
{analeptic,antibacterial,Autophagy,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease}

> <pubchem_cids>
{638024}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 28  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0093    6.0025    0.0000 O   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6109    7.4996    0.0000 C   0  0
   -1.3132    8.2519    0.0000 O   0  0
   -3.9118    8.2481    0.0000 C   0  0
   -3.9149    9.7490    0.0000 C   0  0
   -5.2157   10.4975    0.0000 C   0  0
   -5.2210   11.9975    0.0000 C   0  0
   -6.5226   12.7430    0.0000 C   0  0
   -7.8190   11.9885    0.0000 C   0  0
   -9.1207   12.7340    0.0000 O   0  0
   -7.8138   10.4885    0.0000 C   0  0
   -9.1094    9.7310    0.0000 O   0  0
   -9.1021    8.2310    0.0000 C   0  0
   -6.5122    9.7430    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23 15  1  0
  5 24  2  0
 24 25  1  0
 25 26  2  0
 26  3  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15436

> <plate>
PLATE 002

> <well>
G2

> <supplier_cmpd_name>
Curcumin

> <ctcr_id>
5068

> <supplier_cmpd_id>
T1516

> <smiles>
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O

> <pd_targets>
{CYP1A2,APP,MMP13,LMNA,CASP7,HSD17B10,RORC,HIF1A,FTL,HPGD,CYP3A4,ALPI,ATP2A1,TXNRD1,TXNRD2,TXNRD3,PTGS1,PTGS2,CREBBP,EP300,ALPG,HTT,ALOX5,PTGES,GSK3B,FFP,CASP1,KMT2A,MEN1,THRB,ALDH1A1,ALOX15,POLB,NPSR
1,HSPD1,HSPE1,CYP2D6,HSD17B3,CA3,CA1,CA5A,CA9,ABHD5,PLIN1,ANPEP,REP,CISD1,MAOB,MAOA,TLR9,NADD,KDM4E,MAPT,ATP2A3,GROES,GROL,TST,CAMK2A,BACE1,NA,PRKCE,CA12,CA7,CA2,CA5B,CA14,HSD11B1,LEF,STAT3,GLO1,MMP9,
PRKCD,CA4,HSD17B2,HTR4,EGFR,KDM1A,FABI,PRKCQ,TLR4,F3,TSHR,ALOX12,MAPK1,ALD,FTSZ,CDR1,CA6,CA13,CA15,TIM10,PLA2G1B,GSTP1,GAG-POL,PKM,TGR,HBB,SRTA,CYP2C9,CYP2B6,ACHE,NOS2,PAK1,PLIN5,GAA,ATP2A2,STK33,NFE2
L2,SSSIM,VDR,FOS,JUN,TP53,TUBA4A,NFKB1,PROTEASE,POL,USP2,TOP2A,SRC,PSMB5,BLA(TEM-2),NFKB2,RELA,ABCB1,KCNK2,HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9,ABCC5}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein","Transcription factor","Unclassified protein",Transporter,"Epigenetic regulator","Other cytosolic protein","Secreted protein","Structural protein","
Ion channel","Cytochrome P450",Protease,Oxidoreductase,"Nuclear receptor",Phosphatase,"Primary active transporter",Writer,Isomerase,Kinase,Transferase,Reader,"Family A G protein-coupled receptor",Lyas
e,"Toll-like and Il-1 receptors",Eraser,Hydrolase,"Voltage-gated ion channel","Cytochrome P450 family 1","Metallo protease","Cysteine protease","Nuclear hormone receptor subfamily 1","Cytochrome P450 
family 3","P-type ATPase","Histone acetyltransferase","Protein Kinase",Bromodomain,"Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Lysine demethylase","Aspartic protease","Small molecul
e receptor (family A GPCR)","ATP-binding cassette","Threonine protease","Potassium channels","Histone deacetylase","Cytochrome P450 family 1A","Metallo protease MAM clan","Cysteine protease CD clan","
Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Calcium ATPase","p300/CBP family","Cysteine protease CA clan","CMGC protein kinase group","Nuclear hormone receptor subfamily
 1 group A","Short peptide receptor (family A GPCR)","Cytochrome P450 family 2D","Metallo protease MAE clan","Jumonji domain-containing","CAMK protein kinase group","Aspartic protease AA clan","AGC pr
otein kinase group","Monoamine receptor","TK protein kinase group","Lysine-specific demethylase","Glycohormone receptor","ABCB subfamily","Cytochrome P450 family 2C","Cytochrome P450 family 2B","STE p
rotein kinase group","Nuclear hormone receptor subfamily 1 group I","Cysteine protease PAC clan","Threonine protease PBT clan","Two-pore domain potassium channel","HDAC class I","ABCC subfamily","Cyto
chrome P450 1A1","Metallo protease M10A subfamily","Cysteine protease C14 family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cysteine protease C1A family","CMGC pro
tein kinase GSK family","Nuclear hormone receptor subfamily 1 group A member 2","Neuropeptide receptor","Cytochrome P450 2D6","Metallo protease M1 family","CAMK protein kinase CAMK2 family","Aspartic 
protease A1A subfamily","AGC protein kinase PKC family","Metallo protease M34 family","Serotonin receptor","Tyrosine protein kinase EGFR family","CMGC protein kinase MAPK family","Cytochrome P450 2C9"
,"Cytochrome P450 2B6","STE protein kinase STE20 family","CAMK protein kinase unique family","Nuclear hormone receptor subfamily 1 group I member 1","Cysteine protease C3A subfamily","Cysteine proteas
e C19 family","Tyrosine protein kinase Src family","Threonine protease T1A subfamily","AGC protein kinase PKC eta subfamily","AGC protein kinase PKC delta subfamily","CMGC protein kinase ERK1","STE pr
otein kinase PAKA subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Other protein targets","Cytochrome P450","Peptidases and proteinases","Nuclear hormone receptors","Eicosanoid turnover","P-type ATPases","Kinases (EC 2.7.x.x)","Bromod
omain-containing proteins","G protein-coupled receptors","Carbonic anhydrases","Anti-infective targets","Catecholamine turnover","Catalytic receptors","Chromatin modifying enzymes","1.-.-.- Oxidoreduc
tases","Transcription factors","Glycerophospholipid turnover","2.7.1.40 Pyruvate kinases","Acetylcholine turnover","L-Arginine turnover","3.2.1.- Glycosidases","DNA topoisomerases","ATP-binding casset
te transporter family","CYP1 family","MA: Metallo (M) Peptidases","CD: Cysteine (C) Peptidases","1F. Retinoic acid-related orphans","Prostaglandin synthases","CYP3 family","P2A P-type ATPases: Ca<sup>
2+</sup>-ATPases",Lipoxygenases,Cyclooxygenase,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","Non-enzymatic BRD containing proteins","1A. Thyroid hormone receptors","Neuropeptide S receptor","CYP2 f
amily: drug metabolising subset","Viral protein targets","Pattern recognition receptors","1.14.11.- Histone demethylases","CAMK: Calcium/calmodulin-dependent protein kinases","AA: Aspartic (A) Peptida
ses","AGC: Containing PKA",PKG,"PKC families","STAT transcription factors","5-Hydroxytryptamine receptors","Receptor kinases","Glycoprotein hormone receptors","Phospholipase A<sub>2</sub>","Nitric oxi
de synthases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","2.1.1.43 Histone methyltransferases (HMTs)","Basic leucine zipper domain TFs","1I. Vitamin D receptor-like receptors
","CA: Cysteine (C) Peptidases","PB: Threonine (T) Peptidases","ABCB subfamily","ABCC subfamily","M10: Matrix metallopeptidase","C14: Caspase","Glycogen synthase kinase (GSK) family","M1: Aminopeptida
se N","Coronavirus (CoV) proteins","Toll-like receptor family","CAMK2 family","A1: Pepsin","Protein kinase C (PKC) family","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","STE2
0 family","CAMK-unique family","C19: Ubiquitin-specific protease","T1: Proteasome","GSK subfamily","Eta subfamily","Delta subfamily","Receptor tyrosine kinases (RTKs)","ERK subfamily","PAKA subfamily"
,"Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{Metabolism,"Immune System","Gene expression (Transcription)","Cell Cycle","Programmed Cell Death","Cellular responses to external stimuli","Vesicle-mediated transport",Hemostasis,"Metabolism of prote
ins",Disease,"DNA Repair","Neuronal System","Transport of small molecules","Developmental Biology","Signal Transduction","Biological oxidations","Innate Immune System","RNA Polymerase II Transcription
",Mitotic,Apoptosis,"Metabolism of amino acids and derivatives","Cellular responses to stress","Membrane Trafficking","Metabolism of lipids","Platelet homeostasis","Post-translational protein modifica
tion","Infectious disease","Base Excision Repair","Reversible hydration of carbon dioxide","Cytokine Signaling in Immune system","Transmission across Chemical Synapses","Amyloid fiber formation","O2/C
O2 exchange in erythrocytes","Diseases of signal transduction by growth factor receptors and second messengers","The citric acid (TCA) cycle and respiratory electron transport","Nervous system develop
ment","Intracellular signaling by second messengers","Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","Metabolism of carbohydrates","Diseases of metabolism","Cell Cycle Checkpoints","Abaca
vir transport and metabolism","Phase I - Functionalization of compounds","Toll-like Receptor Cascades","Generic Transcription Pathway","M Phase","Intrinsic Pathway for Apoptosis","Branched-chain amino
 acid catabolism","Cellular response to hypoxia","trans-Golgi Network Vesicle Budding","Biosynthesis of specialized proresolving mediators (SPMs)","Phospholipid metabolism","Platelet calcium homeostas
is","Post-translational modification: synthesis of GPI-anchored proteins","Fatty acid metabolism","SARS-CoV Infections",SUMOylation,"Resolution of Abasic Sites (AP sites)","Leishmania infection","Sign
aling by Interleukins","Neutrophil degranulation","Neurotransmitter receptors and postsynaptic signal transmission","Sulfur amino acid metabolism","Fcgamma receptor (FCGR) dependent phagocytosis","Ery
throcytes take up carbon dioxide and release oxygen","Metabolism of steroids","Uptake and actions of bacterial toxins","Signaling by FGFR in disease","Pyruvate metabolism and Citric Acid (TCA) cycle",
"Axon guidance","DAG and IP3 signaling","GPCR downstream signalling","PIP3 activates AKT signaling","Signaling by NTRKs","Triglyceride metabolism","Phase II - Conjugation of compounds","HIV Infection"
,"Glucose metabolism","Infection with Mycobacterium tuberculosis","Diseases of carbohydrate metabolism","G1/S DNA Damage Checkpoints","Mitotic G1 phase and G1/S transition","Regulation of mitotic cell
 cycle","Abacavir transmembrane transport","Glycosaminoglycan metabolism","Cytochrome P450 - arranged by substrate type","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX2","Mi
totic Metaphase and Anaphase","Apoptotic factor-mediated response","Transcriptional regulation by RUNX3","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Golgi Associated Ve
sicle Biogenesis","Biosynthesis of DHA-derived SPMs","Glycerophospholipid biosynthesis","Reduction of cytosolic Ca++ levels","Transcriptional Regulation by MECP2","Biosynthesis of DPA-derived SPMs","A
rachidonic acid metabolism","SARS-CoV-1 Infection","Transcriptional Regulation by TP53","SUMO E3 ligases SUMOylate target proteins","Ethanol oxidation","Resolution of AP sites via the multiple-nucleot
ide patch replacement pathway","Leishmania parasite growth and survival","Fatty acyl-CoA biosynthesis","Interleukin-12 family signaling","Regulation of gene expression by Hypoxia-inducible Factor","Am
ine Oxidase reactions","Toll Like Receptor 7/8 (TLR7/8) Cascade","Activation of NMDA receptors and postsynaptic events","Degradation of cysteine and homocysteine","Role of phospholipids in phagocytosi
s","Metabolism of steroid hormones","Uptake and function of anthrax toxins","Signaling by FGFR1 in disease","Pyruvate metabolism","EPH-Ephrin signaling","CaM pathway","G alpha (q) signalling events","
PTEN Regulation","G alpha (i) signalling events","Toll Like Receptor 4 (TLR4) Cascade","Signaling by NTRK1 (TRKA)","Triglyceride catabolism","Glutathione conjugation","HIV Life Cycle",Glycolysis,"Resp
onse of Mtb to phagocytosis","Transcriptional regulation by RUNX1","Glycogen storage diseases","p53-Dependent G1/S DNA damage checkpoint","Interleukin-1 family signaling","G0 and Early G1","APC/C-medi
ated degradation of cell cycle proteins","Hyaluronan metabolism",Xenobiotics,"MyD88 cascade initiated on plasma membrane","RUNX2 regulates genes involved in cell migration","Mitotic Anaphase","Cytochr
ome c-mediated apoptotic response","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of D-series resolvins","Biosynthesis of maresins","Synthesis of PA","Regulation of MECP2 expressio
n and activity","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","SARS-CoV-1 Genome Replication and Transcription","Regulation of TP53 Activity","TP53 Regulates T
ranscription of Cell Death Genes","SUMOylation of intracellular receptors","PCNA-Dependent Long Patch Base Excision Repair","Anti-inflammatory response favouring Leishmania parasite infection","Synthe
sis of very long-chain fatty acyl-CoAs","Interleukin-12 signaling","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","MyD88 dependent cascade initiated on endosome","Post NMDA
 receptor activation events","Sulfide oxidation to sulfate","Glucocorticoid biosynthesis","FGFR1 mutant receptor activation","EPH-ephrin mediated repulsion of cells","Calmodulin induced events","Estro
gen biosynthesis","Gastrin-CREB signalling pathway via PKC and MAPK","Regulation of PTEN gene transcription","Visual phototransduction","MyD88-independent TLR4 cascade","Nuclear Events (kinase and tra
nscription factor activation)","Acyl chain remodelling of PC","Early Phase of HIV Life Cycle","Synthesis of PC","Suppression of phagosomal maturation","EPHB-mediated forward signaling","RUNX1 regulate
s genes involved in megakaryocyte differentiation and platelet function","Glycogen storage disease type II (GAA)","p53-Dependent G1 DNA Damage Response","Interleukin-1 signaling","Transcription of E2F
 targets under negative control by DREAM complex","Signalling to ERKs","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Hyaluronan biosynthesis and export","Aromatic ami
nes can be N-hydroxylated or N-dealkylated by CYP1A2","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Nuclear Envelope (NE) Reassembly","Activation of caspases through apoptos
ome-mediated cleavage","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived 13-series resolvins","Replication of the SARS-CoV-1 genome","Regulation of TP53 Activity through Acetylation"
,"TP53 Regulates Transcription of Caspase Activators and Caspases","Biosynthesis of DPAn-3-derived protectins and resolvins","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions
","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","TP53 Regulates Transcription of Genes Involved in Cytochrome C Release","TRAF6 mediated induction of NFkB and MA
P kinases upon TLR7/8 or 9 activation","Activation of AMPK downstream of NMDARs","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Signaling by cytosolic FGFR1 fusion
 mutants","EGFR Transactivation by Gastrin","The phototransduction cascade","TRIF(TICAM1)-mediated TLR4 signaling","NGF-stimulated transcription","Biosynthesis of DPAn-3-derived maresins","MAP kinase 
activation","Integration of provirus","Inhibition of nitric oxide production","Stabilization of p53","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Regulation of TP53 Expression and Degradation","Signa
lling to RAS","APC/C:Cdc20 mediated degradation of mitotic proteins","Initiation of Nuclear Envelope (NE) Reformation","PI5P Regulates TP53 Acetylation","Ras activation upon Ca2+ influx through NMDA r
eceptor",Inactivation,"recovery and regulation of the phototransduction cascade","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","MAPK targets/ Nuclear events mediated by MAP kinases","2-LTR ci
rcle formation","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","p38MAPK events","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the c
ell cycle checkpoint","ERK/MAPK targets","Activation of the AP-1 family of transcription factors","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{curcumin,458-37-7,458377,Diferuloylmethane,"Natural yellow 3","Turmeric yellow",Curcuma,Turmeric,"Indian saffron","Kacha haldi",Gelbwurz,"Curcumin I",Souchet,Haidr,Halad,Haldar,Halud,"Merita earth","
Terra Merita","Yellow Ginger",(1E,6E)-1,6E)1,7-Bis(4-hy,7Bis(4hy,T1516,81025,NSC32982,"NSC 32982
NSC 32982",Curcumin}

> <pdid>
PD003342

> <targets>
{Autophagy,Epigenetic Reader Domain,Ferroptosis,Histone Acetyltransferase,Influenza Virus,Keap1-Nrf2,Mitophagy}

> <classes>
{Anti-infection,Apoptosis,Autophagy,Epigenetics,NF-ºB}

> <pubchem_cids>
{969516}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0
   -4.8896   -2.5354    0.0000 O   0  0
   -6.2433   -1.8893    0.0000 C   0  0
   -7.5616   -2.6011    0.0000 C   0  0
   -8.8392   -1.8152    0.0000 O   0  0
   -6.0471   -0.4022    0.0000 C   0  0
   -4.5721   -0.1292    0.0000 C   0  0
   -3.9177    1.2205    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  2  1  0
 10  6  2  0
  7 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 11  1  0
 17 18  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15437

> <plate>
PLATE 002

> <well>
G3

> <supplier_cmpd_name>
Cordycepin

> <ctcr_id>
3951

> <supplier_cmpd_id>
T2993

> <smiles>
Nc1ncnc2n(cnc12)C3OC(CO)CC3O

> <pd_targets>
{RORC,ALOX15,TIM23,NS5B,ADORA1}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3",Enzyme,Oxidored
uctase,"Unclassified protein","Membrane receptor",Transferase,"Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Nucleotide-like receptor (family A GPCR)","Adenosine rece
ptor"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans",Enzymes,"Eicosanoid turnover",Lipoxygenases,"G protein-coupled receptors","Adenosine receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration",Metaboli
sm,"Metabolism of lipids","Biosynthesis of specialized proresolving mediators (SPMs)","Biosynthesis of DPA-derived SPMs","Biosynthesis of DPAn-3 SPMs","Biosynthesis of DPAn-3-derived protectins and re
solvins",Disease,"Signal Transduction","Infectious disease","Signaling by GPCR","SARS-CoV Infections","GPCR ligand binding","Potential therapeutics for SARS","Class A/1 (Rhodopsin-like receptors)","Nu
cleotide-like (purinergic) receptors","Adenosine P1 receptors"}

> <broad_targets>
{}

> <broad_moa>
{"DNA inhibitor"}

> <synonyms>
{3-Deoxyadenosine,3Deoxyadenosine,NSC63984,"ADENOSINE, 3'-DEOXY-","ADENOSINE, 3'DEOXY",CHEMBL42814,MLS003389401,NSC401022,2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol,2(6aminopurin9yl)5(hydroxym
ethyl)oxolan3ol,9-(.beta.-D-3'-Deoxyribofuranosyl)adenine,9(.beta.D3'Deoxyribofuranosyl)adenine,".beta.-D-erythro-Pentofuranoside, adenine-9 3-deoxy-",".beta.DerythroPentofuranoside, adenine9 3deoxy",
9H-Purine,9HPurine,6-,6,T2993,"NSC 63984",Cordycepin}

> <pdid>
PD006989

> <targets>
{Antibiotic,Autophagy,Bacterial,MMP}

> <classes>
{Anti-infection,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{248010}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 19 21  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -5.1962    1.5000    0.0000 O   0  0
    2.5987    1.5004    0.0000 C   0  0
    2.6012    3.0005    0.0000 C   0  0
    3.9014    3.7484    0.0000 C   0  0
    5.1993    2.9963    0.0000 C   0  0
    5.1969    1.4963    0.0000 C   0  0
    3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10  1  1  0
 10 11  2  0
  8 12  1  0
  6 13  1  0
  2 14  1  6
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15438

> <plate>
PLATE 002

> <well>
G4

> <supplier_cmpd_name>
Pinocembrin

> <ctcr_id>
11401

> <supplier_cmpd_id>
T2992

> <smiles>
C1[C@H](Oc2cc(cc(c2C1=O)O)O)c1ccccc1

> <pd_targets>
{CYP1A1,CYP1B1,CYP1A2,CYP19A1,HPD}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450",Oxidoreductase,"Cytochrome P450 family 1","Cytochrome P450 family 19","Cytochrome P450 family 1A","Cytochrome P450 family 1B","Cytochrome P450 family 19A","Cytochrome P450 1A
1","Cytochrome P450 1B1","Cytochrome P450 19A1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP1 family",CYP11,CYP17,CYP19,"CYP20 and CYP21 families"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Cytochrome P450 - arranged by substrate type",Xenobiotics,"Endogenous sterols","Aromatic amines can be N-hydroxylated or
 N-dealkylated by CYP1A2"}

> <broad_targets>
{CYP1B1}

> <broad_moa>
{"cytochrome P450 inhibitor"}

> <synonyms>
{Pinocembrin,480-39-7,480397,(+)-Pinocembrin,(+)Pinocembrin,(2S)-pinocembrin,(2S)pinocembrin,"4H-1-Benzopyran-4-one, 2,3-dihydro-5,7-dihydroxy-2-phenyl-, (2S)-","4H1Benzopyran4one, 2,3dihydro5,7dihydr
oxy2phenyl, (2S)","(S)-5,7-dihydroxy-2-phenylchroman-4-one","(S)5,7dihydroxy2phenylchroman4one",UNII-8T7C8CH791,UNII8T7C8CH791,"(2s)-5,7-dihydroxy-2-phenyl-2,3-dihydro-4h-chromen-4-one","(2s)5,7dihydr
oxy2phenyl2,3dihydro4hchromen4one",(S),T2992}

> <pdid>
PD056515

> <targets>
{NF-¦ÊB,Autophagy,Bacterial,Reactive Oxygen Species}

> <classes>
{NF-¦ªb,Anti-infection,Autophagy,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{68071}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 O   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  9  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18  6  1  0
 18 19  2  0
 19  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15439

> <plate>
PLATE 002

> <well>
G5

> <supplier_cmpd_name>
Chrysophanic Acid

> <ctcr_id>
6506

> <supplier_cmpd_id>
T2995

> <smiles>
Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

> <pd_targets>
{KDM4E,KMT2A,MEN1,RECQL,ELANE,MAPT,PTGS2,MAPK1,CYP3A4,PTGS1,TSHR,ALDH1A1,TDP1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Other cytosolic protein","Membrane receptor",Eraser,Reader,Protease,Oxidoreductase,Kinase,"Cytochrome P450","Family A G protein-coupled receptor",Hydrolase,"Lysine deme
thylase",Bromodomain,"Serine protease","Protein Kinase","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Jumonji domain-containing","Serine protease PA clan","CMGC protein kinase group",
"Cytochrome P450 family 3A","Glycohormone receptor","Serine protease S1A subfamily","CMGC protein kinase MAPK family","Cytochrome P450 3A4","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Peptidases and proteinases","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Cytochrome P450","G protein-coupled receptors","1.14.11.- Histone demethylas
es","PA: Serine (S) Peptidases",Cyclooxygenase,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","Glycoprotein hormone receptors","S1: Chymotrypsin","Mitogen-activated protein kinases (MAP
 kinases)","ERK subfamily"}

> <pathway_reactome>
{"Immune System","Neuronal System",Metabolism,Disease,"DNA Repair","Innate Immune System","Transmission across Chemical Synapses","Metabolism of lipids","Infectious disease","Biological oxidations","D
NA Double-Strand Break Repair","Complement cascade","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Ca
scades","Fatty acid metabolism","Leishmania infection","Phase I - Functionalization of compounds","Nonhomologous End-Joining (NHEJ)","Regulation of Complement cascade","Activation of NMDA receptors an
d postsynaptic events","Biosynthesis of DPA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Arachidonic acid metabolism","Leishmania parasite growth and surviva
l","Ethanol oxidation","Post NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Synthesis of Prostaglandins (PG) an
d Thromboxanes (TX)","Anti-inflammatory response favouring Leishmania parasite infection","Activation of AMPK downstream of NMDARs","MAP kinase activation","Biosynthesis of maresin-like SPMs","ADORA2B
 mediated anti-inflammatory cytokines production","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{EGFR,MTOR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{"CHRYSOPHANIC ACID",481-74-3,481743,"1,8-Dihydroxy-3-methylanthraquinone","1,8Dihydroxy3methylanthraquinone",3-Methylchrysazin,3Methylchrysazin,"Turkey rhubarb","1,8-dihydroxy-3-methylanthracene-9,10
-dione","1,8dihydroxy3methylanthracene9,10dione","NSC 37132","NSC 646567","Crysophanic acid",1,8-Dihydroxy-3-methyl-9,8Dihydroxy3methyl9,10-anthrace,10anthrace,T2995,300545,"Chrysophanic Acid",CHRYSOP
HANOL}

> <pdid>
PD002009

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{10208}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 25  0  0  1  0            999 V2000
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.9815   -3.8184    0.0000 C   0  0
   -2.3518   -3.2082    0.0000 C   0  0  1  0  0  0
   -2.5085   -1.7165    0.0000 C   0  0  1  0  0  0
   -3.8925   -1.1379    0.0000 O   0  0
   -3.5653   -4.0899    0.0000 O   0  0
   -3.7124    4.0029    0.0000 O   0  0
   -3.1023    5.3733    0.0000 C   0  0
   -1.6105    5.2165    0.0000 O   0  0
    4.9133    0.6415    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 11 10  1  1
 11 12  1  0
 12  3  1  6
 12 13  1  0
 13  1  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  1  1
 15 18  1  6
  8 19  1  0
 19 20  1  0
 20 21  1  0
 21  7  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15440

> <plate>
PLATE 002

> <well>
G6

> <supplier_cmpd_name>
Lycorine chloride

> <ctcr_id>
11402

> <supplier_cmpd_id>
T2774

> <smiles>
C1CN2Cc3cc4c(cc3[C@H]3[C@H]2C1=C[C@@H]([C@H]3O)O)OCO4.Cl

> <pd_targets>
{AMPC,PAX8,RORC,ALOX15,KDM4E,TDP1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Hydrolase,"Transcription factor","Epigenetic regulator","Nuclear receptor",Oxidoreductase,Eraser,"Nuclear hormone receptor subfamily 1","Lysine demethylase","Nuclear hor
mone receptor subfamily 1 group F","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Eicosanoid turnover","Chromatin modifying enzymes","1F. Retinoic acid-related orphans",Lipoxygenases,"1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"DNA Repair","RNA Polymerase II Transcription","Metabolism of lipids","DNA Double-Strand Break Repair","Generic Transcription Pathway","Biosynthesis of sp
ecialized proresolving mediators (SPMs)","Nonhomologous End-Joining (NHEJ)","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","RUNX3 Regulates Immune Response and Cell Migration
","Biosynthesis of DPAn-3 SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Lycorine hydrochloride",2188-68-3,2188683,"2188 68 3","Lycorine chloride","Licorin hydrochloride","Lycorine HCl","Lycorine (hydrochloride)",UNII-58F70VH0HS,UNII58F70VH0HS,"UNII 58F70VH0HS",58F70VH0H
S,MFCD00243111,Lycorine-chloride,Lycorinechloride,SCHEMBL8437600,CHEMBL2092590,DTXSID80944478,HY-N0289,HYN0289,"HY N0289",CL0,T2774}

> <pdid>
PD052913

> <targets>
{"peptidyl transferase center (PTC)",HCV}

> <classes>
{Microbiology&virology}

> <pubchem_cids>
{164943}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    7.7988   -1.4819    0.0000 O   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    5.2059   -2.9909    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8939    0.7546    0.0000 O   0  0
    5.1903    1.5091    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    7.7884    1.5181    0.0000 O   0  0
    5.1821    3.0099    0.0000 C   0  0
    6.4772    3.7666    0.0000 O   0  0
    3.8794    3.7535    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -1.2991    5.2507    0.0000 C   0  0
   -0.0012    6.0029    0.0000 C   0  0
   -0.0036    7.5029    0.0000 C   0  0
   -1.3039    8.2509    0.0000 C   0  0
   -2.6017    7.4988    0.0000 C   0  0
   -2.5993    5.9988    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  2  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 10 12  2  0
  5 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 16  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 14  1  0
 25 26  1  0
 18 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15441

> <plate>
PLATE 002

> <well>
G7

> <supplier_cmpd_name>
Baicalin

> <ctcr_id>
1993

> <supplier_cmpd_id>
T2775

> <smiles>
OC1C(O)C(OC(C1O)C(O)=O)Oc2cc3OC(=CC(=O)c3c(O)c2O)c4ccccc4

> <pd_targets>
{KDM1A,PREP,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,CYP1A2,CCNB1,CDK1,ABCC2,MEX-5,FFP,IMPA1,HPGD,MAPT,KMT2A,MEN1,GAA,ALDH1A1,POS-1,P
OLB,AMPC,ALD}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Ion channel",Transporter,"Transcription factor","Other cytosolic protein",Eraser,Protease,"Ligand-gated ion channel","Cytochrome P450",Kinase,"Primary active transporte
r",Transferase,Hydrolase,Reader,Oxidoreductase,"Lysine demethylase","Serine protease","GABA-A receptor","Cytochrome P450 family 1","Protein Kinase","ATP-binding cassette",Bromodomain,"Lysine-specific 
demethylase","Serine protease SC clan","Cytochrome P450 family 1A","CMGC protein kinase group","ABCC subfamily","Serine protease S9A subfamily","Cytochrome P450 1A1","CMGC protein kinase CDK family","
CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Chromatin modifying enzymes","Peptidases and proteinases","Cytochrome P450","ATP-binding cassette transporter family","Inositol phosphate turnover","Eicosanoid turnover","3.2.1.
- Glycosidases","1.14.11.- Histone demethylases","SC: Serine (S) Peptidases","CYP1 family","ABCC subfamily","Inositol monophosphatase","Prostaglandin synthases","S9: Prolyl oligopeptidase"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,Disease,"Neuronal System","DNA Repair","Intracellular signaling by second messengers","Biological oxidations","Disorders of transmembrane transporters","Inositol phos
phate metabolism","Metabolism of lipids","Transmission across Chemical Synapses","Diseases of metabolism","Base Excision Repair","PIP3 activates AKT signaling","Phase I - Functionalization of compound
s","ABC transporter disorders","Synthesis of IP2",IP,"and Ins in the cytosol","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmissi
on","Diseases of carbohydrate metabolism","Resolution of Abasic Sites (AP sites)","PTEN Regulation","Cytochrome P450 - arranged by substrate type","Defective ABCC2 causes DJS","Biosynthesis of DHA-der
ived SPMs","Activation of NMDA receptors and postsynaptic events","Glycogen storage diseases","Ethanol oxidation","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Regula
tion of PTEN gene transcription",Xenobiotics,"Biosynthesis of D-series resolvins","Post NMDA receptor activation events","Glycogen storage disease type II (GAA)","PCNA-Dependent Long Patch Base Excisi
on Repair","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NCGC00247621-01,NCGC0024762101,Oprea1_484812,Oprea1484812,Oprea1-484812,"Oprea1 484812","Flavone base + 3O, O-HexA","Flavone base + 3O, OHexA",MLS000563431,SMR000232281,AC1MWZI0,"5,6-dihydroxy-4-oxo-
2-phenyl-4H-chromen-7-yl hexopyranosiduronic acid","5,6dihydroxy4oxo2phenyl4Hchromen7yl hexopyranosiduronic acid",BAICAILIN,BDBM55,MLS006011777,I06-0513,I060513,CHEMBL1447301,SCHEMBL12420442,cid_38075
59,cid3807559,cid-3807559,"cid 3807559",Mol,S2269,Baicalin}

> <pdid>
PD000637

> <targets>
{Others,Autophagy,HIV,NF-ºB}

> <classes>
{Others,Anti-infection,Autophagy,NF-ºB}

> <pubchem_cids>
{3807559}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    1.2623   -2.2495    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.5625    0.0216    0.0000 C   0  0
    3.8972   -0.6630    0.0000 O   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981    0.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8994   -0.7523    0.0000 C   0  0
   -5.1981   -1.5046    0.0000 C   0  0
   -6.4994   -0.7568    0.0000 C   0  0
   -7.8507   -1.3779    0.0000 C   0  0
   -8.1539   -2.8469    0.0000 O   0  0
   -8.8544   -0.2632    0.0000 C   0  0
   -8.1045    1.0359    0.0000 O   0  0
   -6.6372    0.7240    0.0000 C   0  0
   -5.5166    1.7211    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 19 20  2  0
 11 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25  2  1  0
 25  9  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15442

> <plate>
PLATE 002

> <well>
G8

> <supplier_cmpd_name>
Andrographolide

> <ctcr_id>
1541

> <supplier_cmpd_id>
T2898

> <smiles>
CC1(CO)C(O)CCC2(C)C(CC=C3C(O)COC3=O)C(=C)CCC12

> <pd_targets>
{RORC,KMT2A,MEN1,CYP3A4,NR1H4,NFKB1}

> <pathway_gtopdb>
{"Transcription factor","Epigenetic regulator",Enzyme,"Nuclear receptor",Reader,"Cytochrome P450","Nuclear hormone receptor subfamily 1",Bromodomain,"Cytochrome P450 family 3","Nuclear hormone recepto
r subfamily 1 group F","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Other cytosolic protein","Nuclear hormone receptor subfamily 1 group H
","Nuclear hormone receptor subfamily 1 group H member 4"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Cytochrome P450","1F. Retinoic acid-related orphans","CYP3 family","1H. Liver X receptor-like receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"RNA Polymerase II Transcription","Metabolism of lipids","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Tran
scriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Biosynthesis of maresin-like SPMs","Immune System",
"Cytokine Signaling in Immune system","Metabolism of steroids","Signaling by Interleukins","Bile acid and bile salt metabolism","Interleukin-1 family signaling","Synthesis of bile acids and bile salts
","Interleukin-1 signaling","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","MAP3K8 (TPL2)-dependent MAPK1/3 activation"}

> <broad_targets>
{IL1B,IL6,NFKB1,NFKB2,TNF}

> <broad_moa>
{"tumor necrosis factor production inhibitor"}

> <synonyms>
{Andropanolide,5508-58-7,5508587,869807-57-8,869807578,BCP28277,MCULE-4379391397,MCULE4379391397,NCI60_003675,NCI60003675,NCI60-003675,"NCI60 003675",S2261,Andrographolide}

> <pdid>
PD002017

> <targets>
{Others,Autophagy,Influenza Virus,NF-ºB,SARS-CoV}

> <classes>
{Others,Anti-infection,Autophagy,NF-ºB}

> <pubchem_cids>
{343585}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 15 14  0  0  0  0            999 V2000
    7.6943   -1.8787    0.0000 Na  0  3
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  5
    3.8912   -5.2570    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  2  0
 12  5  1  0
  3 13  1  0
 13 14  1  0
 13 15  2  0
M  CHG  2   1   1  14  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15443

> <plate>
PLATE 002

> <well>
G9

> <supplier_cmpd_name>
Sodium Danshensu

> <ctcr_id>
6742

> <supplier_cmpd_id>
T2944

> <smiles>
[Na+].OC(Cc1ccc(O)c(O)c1)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Sodium Danshensu",67920-52-9,67920529,"Danshensu sodium salt","Danshensu (sodium salt)","sodium 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate","sodium 3(3,4dihydroxyphenyl)2hydroxypropanoate","Danshen
su sodium","sodium;3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate","sodium;3(3,4dihydroxyphenyl)2hydroxypropanoate","Benzenepropanoic acid",a,3,4-trihydroxy-,4trihydroxy,m,T2944,S2401}

> <pdid>

> <targets>
{Others,P450,"P450 (e.g. CYP17)"}

> <classes>
{Others}

> <pubchem_cids>
{23711819,101781900}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 37  0  0  1  0            999 V2000
   -0.1756   -5.5034    0.0000 C   0  0
   -0.6566   -4.0826    0.0000 C   0  0
   -2.1277   -3.7893    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0  2  0  0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990    1.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0  1  0  0  0
   -5.1962    0.0000    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -7.7942    1.5000    0.0000 C   0  0
   -7.7942    3.0000    0.0000 C   0  0  2  0  0  0
   -9.0933    3.7500    0.0000 O   0  0
   -6.4952    3.7500    0.0000 C   0  0
   -5.1788    4.4691    0.0000 C   0  0
   -7.8115    4.4693    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  1  0  0  0
   -1.7321    2.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0479    0.0793    0.0000 C   0  0
   -0.8484   -0.3641    0.0000 O   0  0
    0.1118    1.0772    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  4  2  1  1
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  6
 20 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 16  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 10  1  0
 28 15  1  0
 28 29  1  6
 12 30  1  0
 30  4  1  0
 30  7  1  0
  7 31  1  6
 31 32  2  0
 31 33  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15444

> <plate>
PLATE 002

> <well>
G10

> <supplier_cmpd_name>
Betulinic acid

> <ctcr_id>
8358

> <supplier_cmpd_id>
T2830

> <smiles>
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12)C(=O)O

> <pd_targets>
{RORC,SAE1,UBA2,POLB,PYGM,ALB,AKR1B1,BOTA,GLI1,DPP4,GPBAR1,AKR1B10}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Secreted protein","Unclassified protein","Membrane receptor","Nuclear receptor",Aminoacyltransferase,Transferase,Oxidoreductase,Protease,"Family A G protein-coupled rec
eptor","Nuclear hormone receptor subfamily 1","Metallo protease","Serine protease","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Metallo protease MAE clan",
"Serine protease SC clan","Lipid-like ligand receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F member 3","Metallo protease M27 family","Serine protease S9B subfamily","Steroid-li
ke ligand receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","1.-.-.- Oxidoreductases","Peptidases and proteinases","G protein-coupled receptors","1F. Retinoic acid-related orphans","SC: Serine (S) Peptidases","Bil
e acid receptor","S9: Prolyl oligopeptidase"}

> <pathway_reactome>
{"Gene expression (Transcription)","DNA Repair",Metabolism,Disease,"Signal Transduction","Metabolism of proteins","RNA Polymerase II Transcription","Base Excision Repair","Metabolism of carbohydrates"
,"Metabolism of lipids","Infectious disease","Signaling by Hedgehog","Post-translational protein modification","Peptide hormone metabolism","Metabolism of vitamins and cofactors","Generic Transcriptio
n Pathway","Resolution of Abasic Sites (AP sites)","Glycogen metabolism","Metabolism of steroids","Uptake and actions of bacterial toxins","Hedgehog 'off' state",SUMOylation,"Incretin synthesis",secre
tion,"and inactivation","Leishmania infection","Metabolism of fat-soluble vitamins","Transcriptional regulation by RUNX3","Resolution of AP sites via the multiple-nucleotide patch replacement pathway"
,"Glycogen breakdown (glycogenolysis)","Bile acid and bile salt metabolism","Metabolism of steroid hormones","Neurotoxicity of clostridium toxins","Degradation of GLI1 by the proteasome","Processing a
nd activation of SUMO",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","Leishmania parasite growth and survival","Retinoid metabolism and transport","RUNX3 Regulates Immune Response an
d Cell Migration","PCNA-Dependent Long Patch Base Excision Repair","Recycling of bile acids and salts","Pregnenolone biosynthesis","Toxicity of botulinum toxin type A (botA)","SUMO is conjugated to E1
 (UBA2:SAE1)","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{GPBAR1}

> <broad_moa>
{"apoptosis stimulant","NFkB pathway inhibitor"}

> <synonyms>
{MLS001097660,SCHEMBL4441993,"med.21724, Compound 143",BDBM429471,HMS2269L11,SMR000578092,B2836,"Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3b,5x,9x,13x,18x)-","Lup20(29)en28oic acid, 3hydroxy, (3b,5x,9x
,13x,18x)",3906,"Betulinic acid"}

> <pdid>
PD000747

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3010927}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 17 19  0  0  1  0            999 V2000
    2.5981    0.0000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2990   -3.7500    0.0000 C   0  0  1  0  0  0
    2.5981   -3.0000    0.0000 C   0  0  1  0  0  0
    2.5981   -1.5000    0.0000 C   0  0
    3.7124   -4.0030    0.0000 O   0  0
    3.1023   -5.3733    0.0000 C   0  0
    3.8523   -6.6723    0.0000 O   0  0
    1.6105   -5.2165    0.0000 C   0  0
    0.6067   -6.3311    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  2  1  0
  8  9  1  1
 10  9  1  1
 10 11  1  0
 11 12  1  1
 12  2  1  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 10  1  0
 16 17  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15445

> <plate>
PLATE 002

> <well>
G11

> <supplier_cmpd_name>
Isoalantolactone

> <ctcr_id>
11403

> <supplier_cmpd_id>
T2829

> <smiles>
C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1=C

> <pd_targets>
{MYB}

> <pathway_gtopdb>
{"Transcription factor"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Isoalantolactone,470-17-7,470177,iso-alantolacton,isoalantolacton,CHEBI:5981,UNII-BYH07P620U,UNIIBYH07P620U,BYH07P620U,"Eudesma-4(14),11(13)-dien-12-oic acid, 8-beta-hydroxy-, gamma-lactone","Eudesma
4(14),11(13)dien12oic acid, 8betahydroxy, gammalactone",NSC241036,iso-alantolactone,isoalantolactone,Isohelenin,"eudesma-4(14),11(13)-dieno-12,8beta-olactone","eudesma4(14),11(13)dieno12,8betaolactone
",T2829}

> <pdid>
PD052533

> <targets>
{Apoptosis,Autophagy,Bacterial,Endogenous Metabolite}

> <classes>
{Apoptosis,Anti-infection,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{73285}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 19 22  0  0  0  0            999 V2000
    2.5981    0.0000    0.0000 O   0  5
    1.2990   -0.7500    0.0000 N   0  3
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
   -2.5981   -6.0000    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 O   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2990   -3.7500    0.0000 C   0  0
    2.5981   -3.0000    0.0000 C   0  0
    2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 13 14  2  0
  9 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18  2  1  0
 15 19  1  0
 19  2  1  0
 19  6  1  0
M  CHG  2   1  -1   2   1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15446

> <plate>
PLATE 002

> <well>
H2

> <supplier_cmpd_name>
Oxymatrine

> <ctcr_id>
2544

> <supplier_cmpd_id>
T2754

> <smiles>
[O-][N+]12CCCC3CN4C(CCCC4=O)C(CCC1)C23

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{Oxymatrine,Oxysophoridine,"Sophoridine N-oxide","Sophoridine Noxide",54809-74-4,54809744,16837-52-8,16837528,"Sophoridine, N-oxide","Sophoridine, Noxide",SCHEMBL12994027,NSC142988,NSC-142988,DB-05031
9,DB050319,FT-0690482,FT0690482,T2754,S2338}

> <pdid>
PD001185

> <targets>
{Others,Apoptosis,TGF-beta/Smad}

> <classes>
{Others,Apoptosis,Stem Cell/Wnt,TGF-beta/Smad}

> <pubchem_cids>
{285670}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 O   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -7.7942   -1.5001    0.0000 O   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16  9  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19  6  1  0
 19 20  2  0
 20  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15447

> <plate>
PLATE 002

> <well>
H3

> <supplier_cmpd_name>
Emodin

> <ctcr_id>
1255

> <supplier_cmpd_id>
T2869

> <smiles>
Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1

> <pd_targets>
{TSHR,MAPT,CYP2C19,ALDH1A1,APEX1,POLB,CSNK2A1,CSNK2B,PIM1,ESR1,ESR2,EPHX2,AKR1B1,CYP1A2,CSNK2A2,PSMB1,MAPK1,LMNA,LEF,THPO,HIF1A,CYP2D6,CYP3A4,GMNN,CTSL,AGRA,ELANE,PSMB2,PTP4A3,ACK2,LCK,CYP1A1,KMT2A,ME
N1,RORC,ALOX15,NPC1,BLM,HSD17B10,PSMB5,FTL,CYP2C9,AHR}

> <pathway_gtopdb>
{"Membrane receptor","Other cytosolic protein",Enzyme,"Transcription factor","Other nuclear protein","Unclassified protein","Epigenetic regulator",Transporter,"Family A G protein-coupled receptor","Cy
tochrome P450",Oxidoreductase,Kinase,"Nuclear receptor",Protease,Transferase,Phosphatase,Reader,"Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Protein Kinase","Nuclear hormone receptor
 subfamily 3","Serine protease","Cytochrome P450 family 1","Threonine protease","Metallo protease","Cytochrome P450 family 3","Cysteine protease","Protein Phosphatase",Bromodomain,"Nuclear hormone rec
eptor subfamily 1","Glycohormone receptor","Cytochrome P450 family 2C","Other protein kinase group","CAMK protein kinase group","Nuclear hormone receptor subfamily 3 group A","Serine protease SC clan"
,"Cytochrome P450 family 1A","Threonine protease PBT clan","CMGC protein kinase group","Metallo protease MAE clan","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Cysteine protease CA clan","
Serine protease PA clan","Tyrosine protein phosphatase","TK protein kinase group","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 2C19","Other protein kinase CK2 family","CAMK protein 
kinase PIM family","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamily 3 group A member 2","Serine protease S33 family","Cytochrome P450 1A1","Threonine proteas
e T1A subfamily","CMGC protein kinase MAPK family","Metallo protease M34 family","Cytochrome P450 2D6","Cytochrome P450 3A4","Cysteine protease C1A family","Serine protease S1A subfamily","Tyrosine pr
otein kinase Src family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C9","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Other protein targets","G protein-coupled receptors","Cytochrome P450","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Catalytic receptors",Hydrolases,"1.-.-.- Oxi
doreductases","Peptidases and proteinases","Eicosanoid turnover","SLC superfamily of solute carriers","Aryl hydrocarbon receptor","Glycoprotein hormone receptors","CYP2 family: drug metabolising subse
t","CAMK: Calcium/calmodulin-dependent protein kinases","Steroid hormone receptors","Receptor kinases","CYP1 family","PB: Threonine (T) Peptidases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP
3 family","CA: Cysteine (C) Peptidases","PA: Serine (S) Peptidases","1F. Retinoic acid-related orphans",Lipoxygenases,"SLC65 NPC-type cholesterol transporters","PIM family","3A. Estrogen receptors","O
ther protein kinases","T1: Proteasome","Mitogen-activated protein kinases (MAP kinases)","C1: Papain","S1: Chymotrypsin","TK: Tyrosine kinase","Casein kinase 2 (CK2) family","ERK subfamily","Non-recep
tor tyrosine kinases (nRTKs)","Src family"}

> <pathway_reactome>
{Disease,"Neuronal System",Metabolism,"DNA Repair","Gene expression (Transcription)","Signal Transduction","Cell Cycle","Immune System",Hemostasis,"Cellular responses to external stimuli","Transport o
f small molecules","Vesicle-mediated transport","Infectious disease","Transmission across Chemical Synapses","Biological oxidations","Base Excision Repair","Diseases of signal transduction by growth f
actor receptors and second messengers","RNA Polymerase II Transcription","Intracellular signaling by second messengers","Metabolism of lipids",Mitotic,"Innate Immune System","Platelet activation","sig
naling and aggregation","Cellular responses to stress","Plasma lipoprotein assembly",remodeling,"and clearance","DNA Double-Strand Break Repair","Metabolism of amino acids and derivatives","Membrane T
rafficking","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","Resolution of Abasic Sites (AP sites)","FLT3 signaling 
in disease","Generic Transcription Pathway","PIP3 activates AKT signaling","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","Regulation of mitotic cell cycle","Toll
-like Receptor Cascades","M Phase","Uptake and actions of bacterial toxins","Platelet Aggregation (Plug Formation)","Cellular response to hypoxia","Mitotic G1 phase and G1/S transition","SARS-CoV Infe
ctions","Complement cascade","HIV Infection","Plasma lipoprotein clearance","Homology Directed Repair","Branched-chain amino acid catabolism","trans-Golgi Network Vesicle Budding","Leishmania parasite
 growth and survival","Activation of NMDA receptors and postsynaptic events","Cytochrome P450 - arranged by substrate type","Ethanol oxidation","Resolution of AP sites via the multiple-nucleotide patc
h replacement pathway","Signaling by FLT3 ITD and TKD mutants","Transcriptional regulation by RUNX1","Transcriptional Regulation by TP53","Negative regulation of the PI3K/AKT network","Biosynthesis of
 DHA-derived SPMs","Metabolism of steroid hormones","APC/C-mediated degradation of cell cycle proteins","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Metaphase and Anaphase","Uptake and function of a
nthrax toxins","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","G1/S Transition","SARS-CoV-1 Infection","Regulation of Complement cascade","Host Interactions of HIV factors"
,"Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","LDL clearance","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Golgi Associated Vesicle Biogen
esis","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events",Xenobiotics,"PCNA-Dependent Long Patch Base Excision Repair","STAT5 activation downstr
eam of FLT3 ITD mutants","RUNX1 regulates estrogen receptor mediated transcription","Regulation of TP53 Activity",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Biosynthesis of maresins","Pregnenol
one biosynthesis","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","MyD88 cascade initiated on plasma membrane","Mitotic Anaphase","Activation of the pre-replicative comp
lex","Attachment and Entry","The role of Nef in HIV-1 replication and disease pathogenesis","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","HDR through Homologous R
ecombination (HRR)","Endogenous sterols","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","Regulation of TP53 Activity through Pho
sphorylation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","APC/C:Cdc20 mediated degradation of mitotic proteins","MAP kinase activation","Nuclear Envelope (NE) Reassembly","Bios
ynthesis of maresin-like SPMs","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Biosynthesis of DPAn-3-derived protectins and resolvins","Homologous DN
A Pairing and Strand Exchange","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","MAPK targets/ Nuclear events mediated by MAP kinases","Initiat
ion of Nuclear Envelope (NE) Reformation","Nef Mediated CD4 Down-regulation","Presynaptic phase of homologous DNA pairing and strand exchange","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","E
RK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CSNK2A1}

> <broad_moa>
{"11-beta hydroxysteroid dehydrogenase inhibitor"}

> <synonyms>
{emodin,518-82-1,518821,Emodol,"Frangula emodin","1,3,8-trihydroxy-6-methylanthracene-9,10-dione","1,3,8trihydroxy6methylanthracene9,10dione",Schuttgelb,"Rheum emodin",Archin,"Frangulic acid","3-Methy
l-1,6,8-trihydroxyanthraquinone","3Methyl1,6,8trihydroxyanthraquinone","Persian Berry Lake",9,10-Anthracenedione,10Anthracenedione,1,3,8-trihydroxy-6-m,8trihydroxy6m,T2869,NSC408120,"NSC 408120",Emodi
n,EMODIN}

> <pdid>
PD001535

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3220}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 N   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17  2  1  0
 17  6  1  0
 15 18  1  0
 18  7  1  0
 18 11  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15448

> <plate>
PLATE 002

> <well>
H4

> <supplier_cmpd_name>
(+)-Matrine

> <ctcr_id>
5024

> <supplier_cmpd_id>
T2870

> <smiles>
O=C1CCCC2C3CCCN4CCCC(CN12)C34

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{OPRK1}

> <broad_moa>
{"opioid receptor agonist"}

> <synonyms>
{Matridin-15-one,Matridin15one,(+)-Matrine,(+)Matrine,(+)-Sophoridine,(+)Sophoridine,Allomatrine,d-Sophoridine,dSophoridine,.alpha.-Matrine,.alpha.Matrine,83148-91-8,83148918,"Matridin-15-one; Vegard;
 alpha-Matrine","Matridin15one; Vegard; alphaMatrine","Matrene, (+)-","Matrene, (+)","6-Allomatrine; 6beta-Matrine; Tetrahydroisosophoramine","6Allomatrine; 6betaMatrine; Tetrahydroisosophoramine",641
-39-4,641394,1H,5H,10H-dipyrido(2,10Hdipyrido(2,1-f:3',1f:3',T2870,T3030,T3339,S2322,L-Sophoridine,Sophoridine}

> <pdid>
PD001186

> <targets>
{Opioid Receptor,Apoptosis}

> <classes>
{Neuronal Signaling,Apoptosis}

> <pubchem_cids>
{285698}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3032    3.7490    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8934   -5.2570    0.0000 C   0  0
   -5.1924   -6.0071    0.0000 C   0  0
   -6.4914   -5.2571    0.0000 C   0  0
   -7.7905   -6.0071    0.0000 O   0  0
   -6.4915   -3.7571    0.0000 C   0  0
   -5.1925   -3.0071    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 12  1  0
  9 19  2  0
 19  3  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15449

> <plate>
PLATE 002

> <well>
H5

> <supplier_cmpd_name>
Pterostilbene

> <ctcr_id>
6632

> <supplier_cmpd_id>
T2888

> <smiles>
COc1cc(OC)cc(\C=C\c2ccc(O)cc2)c1

> <pd_targets>
{ALOX5,CYP1A1,PTGS2,RORC,PTGS1,MAPK1,NQO2,KMT2A,MEN1,CYP1B1,RAB9A,FFP,NPC1,KDM4E,MAPT,GAA,GFER,ABCB1,TRPA1,ABL1,BCR}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator",Transporter,"Other cytosolic protein","Ion channel",Oxidoreductase,"Cytochrome P450","Nuclear receptor",Kinase,Reader,Hydrolase,Transferase,Eraser
,"Primary active transporter","Voltage-gated ion channel","Cytochrome P450 family 1","Nuclear hormone receptor subfamily 1","Protein Kinase",Bromodomain,"Lysine demethylase","ATP-binding cassette","Tr
ansient receptor potential channel","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Cytochrome P450 family 1B","Jumonji domain-containing","ABCB
 subfamily","Atypical protein kinase group","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cytochrome P450 1B1","Atypical protein kina
se BCR family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Eicosanoid turnover","Cytochrome P450","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","Chromatin modifying enzy
mes","3.2.1.- Glycosidases","ATP-binding cassette transporter family","Voltage-gated ion channels",Lipoxygenases,"CYP1 family",Cyclooxygenase,"1F. Retinoic acid-related orphans","CMGC: Containing CDK"
,MAPK,GSK3,"CLK families","SLC65 NPC-type cholesterol transporters","1.14.11.- Histone demethylases","ABCB subfamily","Transient Receptor Potential channels","Mitogen-activated protein kinases (MAP ki
nases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Immune System","Signal Transduction","Transport of small molecules","Neuronal System",Disease,"Protein localization","Metabolism of lipids","Biological o
xidations","RNA Polymerase II Transcription","Innate Immune System","Signaling by Rho GTPases","Plasma lipoprotein assembly",remodeling,"and clearance","Transmission across Chemical Synapses","Disease
s of metabolism","Mitochondrial protein import","Abacavir transport and metabolism","Ion channel transport","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of 
compounds","Generic Transcription Pathway","Fatty acid metabolism","Toll-like Receptor Cascades","Rho GTPase cycle","Plasma lipoprotein clearance","Neurotransmitter receptors and postsynaptic signal t
ransmission","Diseases of carbohydrate metabolism","Abacavir transmembrane transport","Stimuli-sensing channels","Biosynthesis of DPA-derived SPMs","Cytochrome P450 - arranged by substrate type","Tran
scriptional regulation by RUNX3","Arachidonic acid metabolism","Toll Like Receptor 5 (TLR5) Cascade","RHOBTB GTPase Cycle","LDL clearance","Activation of NMDA receptors and postsynaptic events","Glyco
gen storage diseases","TRP channels","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"RUNX3 Regulates Immune Response and Cell Migration","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","MyD88 casc
ade initiated on plasma membrane","Endogenous sterols","RHOBTB3 ATPase cycle","Post NMDA receptor activation events","Glycogen storage disease type II (GAA)","Biosynthesis of DPAn-3-derived 13-series 
resolvins","MAP kinase activation","Activation of AMPK downstream of NMDARs","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor","PPAR receptor agonist"}

> <synonyms>
{Pterostilbene,537-42-8,537428,trans-pterostilbene,transpterostilbene,"4-(3,5-Dimethoxystyryl)phenol","4(3,5Dimethoxystyryl)phenol","(E)-4-(3,5-dimethoxystyryl)phenol","(E)4(3,5dimethoxystyryl)phenol"
,"3',5'-Dimethoxy-4-stilbenol","3',5'Dimethoxy4stilbenol","4-((E)-2-(3,5-dimethoxyphenyl)ethenyl)phenol","4((E)2(3,5dimethoxyphenyl)ethenyl)phenol","4-((E)-2-(3,5-dimethoxyphenyl)vinyl)phenol","4((E)2
(3,5dimethoxyphenyl)vinyl)phenol",pterostil,T2888,SAM001246605,CPD000440694}

> <pdid>
PD000962

> <targets>
{Autophagy}

> <classes>
{Autophagy}

> <pubchem_cids>
{5281727}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 25  0  0  1  0            999 V2000
    3.1882    2.6402    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0  1  0  0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -2.5807   -4.4691    0.0000 C   0  0
   -5.2134   -4.4693    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  2  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
 19 12  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  5  1  0
 22 11  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15450

> <plate>
PLATE 002

> <well>
H6

> <supplier_cmpd_name>
Cryptotanshinone

> <ctcr_id>
3052

> <supplier_cmpd_id>
T2814

> <smiles>
C[C@H]1COC2=C1C(=O)C(=O)c3c4CCCC(C)(C)c4ccc23

> <pd_targets>
{PTPN1,ALDH1A1,RECQL,MAPT,CES1,PTPN11,PTPN2,SKA,CES2,PTPRF,PTPN6,FTL,ALD,NPSR1,ACHE,POLB,PROTEASE,L3MBTL1,PTPRC,KMT2A,MEN1,KDM4E,TGR,PTPN9,THRB,AKR1B1,STAT3,EPAS1,HIF1A,BLM,FFP,CYP3A4,HSD17B10,CASP7,H
PGD}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Unclassified protein","Membrane receptor","Epigenetic regulator","Transcription factor",Phosphatase,Oxidoreductase,Hydrolase,Kinase,"Family A G protein-coupled recep
tor",Protease,Reader,Eraser,"Nuclear receptor",Transferase,"Cytochrome P450","Protein Phosphatase","Peptide receptor (family A GPCR)","Cysteine protease","Methyl-lysine/arginine binding protein",Bromo
domain,"Lysine demethylase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Tyrosine protein phosphatase","Short peptide receptor (family A GPCR)","Cysteine protease PAC clan","MBT 
domain","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group A","Cysteine protease CA clan","Cytochrome P450 family 3A","Cysteine protease CD clan","Receptor tyrosine-protein phosph
atase","Neuropeptide receptor","Cysteine protease C3A subfamily","Nuclear hormone receptor subfamily 1 group A member 2","Cysteine protease C1A family","Cytochrome P450 3A4","Cysteine protease C14 fam
ily"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,Phosphatases,"Anti-infective targets",Hydrolases,"Catalytic receptors","G protein-coupled receptors","Acetylcholine turnover","Chromatin modifying enzymes","
Nuclear hormone receptors","1.-.-.- Oxidoreductases","Transcription factors","Cytochrome P450","Peptidases and proteinases","Eicosanoid turnover","Protein tyrosine phosphatases non-receptor type (PTPN
)","Viral protein targets","Receptor tyrosine phosphatase (RTP) family","Neuropeptide S receptor","1.14.11.- Histone demethylases","2.1.1.43 Histone methyltransferases (HMTs)","1A. Thyroid hormone rec
eptors","STAT transcription factors","CYP3 family","CD: Cysteine (C) Peptidases","Prostaglandin synthases","Coronavirus (CoV) proteins","C14: Caspase"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Neuronal System",Disease,"Immune System","Vesicle-mediated transport","DNA Repair","Developmental Biology","Metabolism of proteins","Programmed Cell Deat
h","RNA Polymerase II Transcription","Biological oxidations","Transmission across Chemical Synapses","Infectious disease","Innate Immune System","Cytokine Signaling in Immune system","Protein-protein 
interactions at synapses","Membrane Trafficking","Metabolism of lipids","Base Excision Repair","Nervous system development","Post-translational protein modification","Diseases of signal transduction b
y growth factor receptors and second messengers","DNA Double-Strand Break Repair","Metabolism of amino acids and derivatives",Apoptosis,"Generic Transcription Pathway","Phase I - Functionalization of 
compounds","Neurotransmitter receptors and postsynaptic signal transmission","SARS-CoV Infections","Toll-like Receptor Cascades","Interferon Signaling","Receptor-type tyrosine-protein phosphatases","t
rans-Golgi Network Vesicle Budding","Leishmania infection","Phospholipid metabolism","Resolution of Abasic Sites (AP sites)","Axon guidance","Signaling by Interleukins",SUMOylation,"Metabolism of ster
oids","Signaling by FGFR in disease","Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Intrinsic Pathway for Apoptosis","Tr
anscriptional Regulation by MECP2","Ethanol oxidation","Activation of NMDA receptors and postsynaptic events","SARS-CoV-1 Infection","Toll Like Receptor 4 (TLR4) Cascade","Interferon gamma signaling",
"Interferon alpha/beta signaling","Golgi Associated Vesicle Biogenesis","Leishmania parasite growth and survival","Glycerophospholipid biosynthesis","Resolution of AP sites via the multiple-nucleotide
 patch replacement pathway","Transcriptional Regulation by TP53","Semaphorin interactions","Transcriptional regulation by RUNX1","Interleukin-1 family signaling","SUMO E3 ligases SUMOylate target prot
eins","Metabolism of steroid hormones","Signaling by FGFR1 in disease","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Apoptotic facto
r-mediated response","MECP2 regulates neuronal receptors and channels","Post NMDA receptor activation events","SARS-CoV-1 Genome Replication and Transcription","MyD88-independent TLR4 cascade","Regula
tion of IFNG signaling","Regulation of IFNA signaling","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of PC","PCNA-Dependent Long Patch Base Excision Repair","Regulati
on of TP53 Activity","Other semaphorin interactions","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Interleukin-37 signaling","SUMOylation of intracellular re
ceptors","Pregnenolone biosynthesis","FGFR1 mutant receptor activation","HDR through Homologous Recombination (HRR)","Biosynthesis of maresins","Cytochrome c-mediated apoptotic response","Biosynthesis
 of D-series resolvins","Activation of AMPK downstream of NMDARs","Replication of the SARS-CoV-1 genome","TRIF(TICAM1)-mediated TLR4 signaling","ADORA2B mediated anti-inflammatory cytokines production
","Regulation of TP53 Activity through Methylation","Signaling by cytosolic FGFR1 fusion mutants","Homologous DNA Pairing and Strand Exchange","Biosynthesis of maresin-like SPMs","Activation of caspas
es through apoptosome-mediated cleavage","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{STAT3}

> <broad_moa>
{"acetylcholinesterase inhibitor","STAT inhibitor"}

> <synonyms>
{Cryptotanshinone,35825-57-1,35825571,"Tanshinone c",Cryptotanshinon,UNII-5E9SXT166N,UNII5E9SXT166N,C19H20O3,MLS001049002,5E9SXT166N,MFCD07636810,SMR000387041,"(R)-1,6,6-trimethyl-1,2,6,7,8,9-hexahydr
ophenanthro(1,2-b)furan-10,11-dione","(R)1,6,6trimethyl1,2,6,7,8,9hexahydrophenanthro(1,2b)furan10,11dione",1,2,6,7,8,9-Hexahydro-1,9Hexahydro1,T2814,1505812,CRYPTOTANSHINONE}

> <pdid>
PD000715

> <targets>
{}

> <classes>
{"inhibits angiogenesis"}

> <pubchem_cids>
{160254}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6061    6.0003    0.0000 C   0  0
   -2.6061    7.5003    0.0000 C   0  0
   -1.3071    8.2503    0.0000 C   0  0
   -0.0080    7.5003    0.0000 C   0  0
   -0.0080    6.0003    0.0000 C   0  0
   -1.3071    9.7511    0.0000 S   0  0
   -0.0079   10.5008    0.0000 O   0  0
   -1.3065   11.2511    0.0000 O   0  0
   -2.6064   10.5023    0.0000 N   0  0
   -2.6065   12.0032    0.0000 C   0  0
   -3.9040   12.7559    0.0000 C   0  0
   -3.9010   14.2558    0.0000 C   0  0
   -2.6004   15.0032    0.0000 C   0  0
   -1.3029   14.2506    0.0000 C   0  0
   -1.3059   12.7506    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  2  0
 19 21  2  0
 19 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15451

> <plate>
PLATE 002

> <well>
H7

> <supplier_cmpd_name>
Sulfasalazine

> <ctcr_id>
6347

> <supplier_cmpd_id>
T0907

> <smiles>
OC(=O)c1cc(ccc1O)N=Nc2ccc(cc2)[S](=O)(=O)Nc3ccccn3

> <pd_targets>
{CASP1,CA1,CA2,LMNA,AKR1B1,MAPK1,AR,HPGD,ALDH1A1,HIF1A,TSHR,MAPT,SLC7A11,MMP1,KMT2A,MEN1,SLC46A1,TNF,SLCO1B3,ABCC3,SLCO2B1,SLCO1B1,TBXAS1,ABCC4,SLC10A1,PTGS1,PTGS2,ALOX5,PPARG,CHUK,IKBKB,ACAT1,PLA2G1B
}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Transcription factor","Membrane receptor","Other cytosolic protein",Transporter,"Epigenetic regulator","Secreted protein",Protease,Lyase,Oxidoreductase,Kinase,"Nuclear
 receptor","Family A G protein-coupled receptor","Electrochemical transporter",Reader,"Primary active transporter","Cytochrome P450",Transferase,Hydrolase,"Cysteine protease","Protein Kinase","Nuclear
 hormone receptor subfamily 3","Peptide receptor (family A GPCR)","SLC superfamily of solute carriers","Metallo protease",Bromodomain,"ATP-binding cassette","Cytochrome P450 family 5","Nuclear hormone
 receptor subfamily 1","Cysteine protease CD clan","CMGC protein kinase group","Nuclear hormone receptor subfamily 3 group C","Glycohormone receptor","SLC03 and SLC07 families of heteromeric amino aci
d transporters (HATs)","Metallo protease MAM clan","SLC46 family of folate transporters","SLC21/SLCO family of organic anion transporting polypeptides","ABCC subfamily","Cytochrome P450 family 5A","SL
C10 family of sodium-bile acid co-transporters","Nuclear hormone receptor subfamily 1 group C","Other protein kinase group","Cysteine protease C14 family","CMGC protein kinase MAPK family","Nuclear ho
rmone receptor subfamily 3 group C member 4","SLC07 Cationic amino acid transporter/glycoprotein-associated family","Metallo protease M10A subfamily","Cytochrome P450 5A1","Nuclear hormone receptor su
bfamily 1 group C member 3","Other protein kinase IKK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Peptidases and proteinases","Carbonic anhydrases","1.-.-.- Oxidoreductases","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Eicosanoid turnover","G protein-coupled
 receptors","SLC superfamily of solute carriers","ATP-binding cassette transporter family","Cytochrome P450","Catalytic receptors","Lanosterol biosynthesis pathway","Glycerophospholipid turnover","CD:
 Cysteine (C) Peptidases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Steroid hormone receptors","Prostaglandin synthases","Glycoprotein hormone receptors","SLC3 and SLC7 families of heteromeric 
amino acid transporters (HATs)","MA: Metallo (M) Peptidases","SLC46 family of folate transporters","SLCO family of organic anion transporting polypeptides","ABCC subfamily",CYP5,"CYP7 and CYP8 familie
s","SLC10 family of sodium-bile acid co-transporters",Lipoxygenases,Cyclooxygenase,"1C. Peroxisome proliferator-activated receptors","Receptor kinases","Phospholipase A<sub>2</sub>","C14: Caspase","Mi
togen-activated protein kinases (MAP kinases)","3C. 3-Ketosteroid receptors","SLC7 family","M10: Matrix metallopeptidase","Other protein kinases","ERK subfamily","IKK family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","Transport of small molecules","Cell Cycle",Metabolism,"Cellular responses to external stimuli",Disease,"Neuronal System",Hemostasis,"RNA Polymerase 
II Transcription","Cytokine Signaling in Immune system","O2/CO2 exchange in erythrocytes",Mitotic,"Metabolism of lipids","Innate Immune System","Biological oxidations","Cellular responses to stress","
Infectious disease","Transmission across Chemical Synapses","SLC-mediated transmembrane transport","Metabolism of vitamins and cofactors","Platelet activation","signaling and aggregation","Generic Tra
nscription Pathway","Signaling by Interleukins","Erythrocytes take up carbon dioxide and release oxygen","M Phase","Metabolism of steroids","Toll-like Receptor Cascades","Biosynthesis of specialized p
roresolving mediators (SPMs)","Phase I - Functionalization of compounds","Cellular response to hypoxia","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Transp
ort of inorganic cations/anions and amino acids/oligopeptides","Metabolism of water-soluble vitamins and cofactors","Transport of vitamins",nucleosides,"and related molecules","Response to elevated pl
atelet cytosolic Ca2+","Fatty acid metabolism","Ketone body metabolism","Phospholipid metabolism","Transcriptional Regulation by TP53","Interleukin-12 family signaling","Mitotic Metaphase and Anaphase
","Metabolism of steroid hormones","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX2","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Oxygen-dependent proline hydroxyl
ation of Hypoxia-inducible Factor Alpha","Leishmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","Amino acid transport across the plasma membrane","Interleukin
-4 and Interleukin-13 signaling","Metabolism of folate and pterines","Interleukin-10 signaling","Bile acid and bile salt metabolism","Transport of organic anions","Cytochrome P450 - arranged by substr
ate type","Platelet degranulation","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Transcriptional Regulation by MECP2","Toll Like Receptor 4 (TLR4) Cascade","Synthesis of Ketone Bod
ies","Glycerophospholipid biosynthesis","TP53 Regulates Transcription of Cell Death Genes","Interleukin-12 signaling","Mitotic Anaphase","Pregnenolone biosynthesis","MyD88 cascade initiated on plasma 
membrane","RUNX2 regulates bone development","Biosynthesis of D-series resolvins","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","Recycling
 of bile acids and salts",Eicosanoids,"Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","MECP2 regulates transcription factors","MyD88-independent TLR4 cascade","A
cyl chain remodelling of PC","TP53 Regulates Transcription of Caspase Activators and Caspases","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Nuclear Envelope (N
E) Reassembly","MAP kinase activation","RUNX2 regulates osteoblast differentiation","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Biosynthesis of
 DPAn-3-derived 13-series resolvins","TRIF(TICAM1)-mediated TLR4 signaling","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","IKK complex recrui
tment mediated by RIP1","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ACAT1,ALOX5,CHUK,IKBKB,PLA2G1B,PPARG,PTGS1,PTGS2,SLC46A1,SLC7A11,TBXAS1}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{sulfasalazine,599-79-1,599791,Azulfidine,Salicylazosulfapyridine,Salazosulfapyridine,Sulphasalazine,Salazopyrin,Asulfidine,Salazopyridin,Accucol,Azopyrin,Sulcolon,Colo-Pleon,ColoPleon,Salazopiridazin
,Azopyrine,Benzosulfa,Reupirin,Salisulf,Salazosulfapyridin,SAM001246530,CPD000059146}

> <pdid>
PD001744

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5339}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 S   0  0
   -1.2948   -3.7517    0.0000 O   0  0
   -1.2973   -2.2519    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8902   -5.2570    0.0000 C   0  0
   -5.1877   -6.0097    0.0000 C   0  0
   -6.4883   -5.2624    0.0000 C   0  0
   -7.7858   -6.0150    0.0000 N   0  0
   -6.4914   -3.7624    0.0000 C   0  0
   -5.1939   -3.0097    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 11  1  0
  6 18  2  0
 18  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15452

> <plate>
PLATE 002

> <well>
H8

> <supplier_cmpd_name>
Sulfamerazine

> <ctcr_id>
2811

> <supplier_cmpd_id>
T0913

> <smiles>
Cc1ccnc(N[S](=O)(=O)c2ccc(N)cc2)n1

> <pd_targets>
{AMPC,MAPT,FOLP}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Hydrolase,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor 
activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial antifolate"}

> <synonyms>
{sulfamerazine,127-79-7,127797,Sulphamerazine,Sulfamerazin,Sulfamethyldiazine,Cremomerazine,Methylsulfazine,Sulfameradine,Mebacid,Mesulfa,Metilsulfadiazin,2-Sulfa-4-methylpyrimidine,2Sulfa4methylpyrim
idine,Methylpyrimal,Metilsulfazin,Sulfamerazina,Sulfamerazinum,Kelamerazi,T0913,1500547,Prestw-694,Sulfamerazine,SULFAMERAZINE}

> <pdid>
PD001749

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5325}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 19 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -5.1983    3.0012    0.0000 O   0  0
   -3.9005    5.2525    0.0000 C   0  0
   -5.1984    6.0044    0.0000 C   0  0
   -5.1963    7.5044    0.0000 C   0  0
   -3.8963    8.2525    0.0000 C   0  0
   -2.5983    7.5007    0.0000 C   0  0
   -2.6004    6.0007    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15453

> <plate>
PLATE 002

> <well>
H9

> <supplier_cmpd_name>
Sulfabenzamide

> <ctcr_id>
1868

> <supplier_cmpd_id>
T0921

> <smiles>
Nc1ccc(cc1)[S](=O)(=O)NC(=O)c2ccccc2

> <pd_targets>
{KMT2A,MEN1,LMNA}

> <pathway_gtopdb>
{"Epigenetic regulator","Other nuclear protein",Reader,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial antifolate"}

> <synonyms>
{sulfabenzamide,127-71-9,127719,N-Sulfanilylbenzamide,NSulfanilylbenzamide,Sulfabenzide,Sulfabenzoylamide,Sulfabenzid,N-Benzoylsulfanilamide,NBenzoylsulfanilamide,Sulfabenzamid,Sulfabenzamida,N-Sulfam
ylbenzamide,NSulfamylbenzamide,Sulfamylbenzamide,"Benzamide, N-((4-aminophenyl)sulfonyl)-","Benzamide, N((4aminophenyl)sulfonyl)",N-(4-aminophenyl)su,N(4aminophenyl)su,T0921,1500544,Prestw-711,Sulfabe
nzamide,SULFABENZAMIDE}

> <pdid>
PD001752

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{5319}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 11 11  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 F   0  0
    2.5951   -3.0039    0.0000 S   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5923   -4.5039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15454

> <plate>
PLATE 002

> <well>
H10

> <supplier_cmpd_name>
PMSF

> <ctcr_id>
1119

> <supplier_cmpd_id>
T0789

> <smiles>
F[S](=O)(=O)Cc1ccccc1

> <pd_targets>
{FAAH,PRSS1,PRSS2,PRSS3,ELANE,PRTN3}

> <pathway_gtopdb>
{Enzyme,Hydrolase,Protease,"Serine protease","Serine protease PA clan","Serine protease S1A subfamily"}

> <pathway_chembl>
{Enzymes,"Endocannabinoid turnover","Peptidases and proteinases","<i>N</i>-Acylethanolamine turnover","PA: Serine (S) Peptidases","S1: Chymotrypsin"}

> <pathway_reactome>
{Metabolism,"Immune System","Metabolism of lipids","Innate Immune System","Cytokine Signaling in Immune system","Fatty acid metabolism","Complement cascade","Signaling by Interleukins","Arachidonic ac
id metabolism","Regulation of Complement cascade","Other interleukin signaling"}

> <broad_targets>
{}

> <broad_moa>
{"serine protease inhibitor"}

> <synonyms>
{PMSF,"Phenylmethylsulfonyl fluoride","phenylmethanesulfonyl fluoride",329-98-6,329986,"Benzylsulfonyl fluoride","Benzenemethanesulfonyl fluoride","alpha-TOLUENESULFONYL FLUORIDE","alphaTOLUENESULFONY
L FLUORIDE",Phenylmethylsulfonylfluoride,"Benzylsulphonyl fluoride",alpha-Toluenesulphon,alphaToluenesulphon,T0789,S3025}

> <pdid>
PD010502

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{4784}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 44 49  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -5.5076   -2.9665    0.0000 N   0  0
   -6.9994   -3.1233    0.0000 C   0  0
   -7.8799   -4.3364    0.0000 C   0  0
   -9.3717   -4.1796    0.0000 C   0  0
  -10.2563   -5.3920    0.0000 O   0  0
  -11.7479   -5.2330    0.0000 C   0  0
   -9.9818   -2.8093    0.0000 C   0  0
   -9.1001   -1.5957    0.0000 C   0  0
   -7.6095   -1.7530    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 O   0  0
   -1.3070   -5.2494    0.0000 C   0  0
    2.6003    1.4978    0.0000 O   0  0
    3.8990    0.7455    0.0000 C   0  0
    3.8964   -0.7545    0.0000 O   0  0
    5.2003    1.4932    0.0000 C   0  0
    6.4994    0.7433    0.0000 C   0  0
    7.7985    1.4933    0.0000 C   0  0
    9.0967    0.7402    0.0000 O   0  0
    9.0945   -0.7598    0.0000 C   0  0
    7.7985    2.9933    0.0000 C   0  0
    9.0967    3.7463    0.0000 O   0  0
    9.0946    5.2463    0.0000 C   0  0
    6.4995    3.7433    0.0000 C   0  0
    6.4964    5.2441    0.0000 O   0  0
    5.1963    5.9923    0.0000 C   0  0
    5.2004    2.9933    0.0000 C   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 16 19  2  0
 19 20  1  0
 20 21  2  0
 21 11  1  0
 21 14  1  0
 12 22  1  0
 22  8  1  0
 22 23  1  6
 24 23  1  1
 24  6  1  0
 24 25  1  0
 25  3  1  0
 25 26  1  1
 26 27  2  0
 26 28  1  0
 28 29  1  0
  4 30  1  1
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 35 38  2  0
 38 39  1  0
 39 40  1  0
 38 41  1  0
 41 42  1  0
 42 43  1  0
 41 44  2  0
 44 33  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15455

> <plate>
PLATE 002

> <well>
H11

> <supplier_cmpd_name>
Reserpine

> <ctcr_id>
854

> <supplier_cmpd_id>
T0791

> <smiles>
CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6

> <pd_targets>
{ABCB1,SLC18A2,NORA,KDM4E,HSD17B10,ALDH1A1,PMP22,MAPK1,NPSR1,TSHR,NFO,CASP1,LMNA,KMT2A,MEN1,CHRM1,POLB,SLC18A1,ALOX15,GMNN,NS1,LEF,THPO,HBB,ABCB11,SCN1A,SCN2A,SCN3A,L3MBTL1,BLM,ABCG2,MAPT,CYP3A4,CASP7
,ABCB1B,ABCB1A,ABCC2,OPRM1,ALD}

> <pathway_gtopdb>
{Transporter,"Unclassified protein","Epigenetic regulator",Enzyme,"Membrane receptor","Other nuclear protein","Secreted protein","Ion channel","Other cytosolic protein","Primary active transporter","E
lectrochemical transporter",Eraser,Oxidoreductase,Kinase,"Family A G protein-coupled receptor",Hydrolase,Protease,Reader,"Voltage-gated ion channel","Cytochrome P450","ATP-binding cassette","SLC super
family of solute carriers","Lysine demethylase","Protein Kinase","Peptide receptor (family A GPCR)","Cysteine protease",Bromodomain,"Small molecule receptor (family A GPCR)","Metallo protease","Voltag
e-gated sodium channel","Methyl-lysine/arginine binding protein","Cytochrome P450 family 3","ABCB subfamily","SLC18 family of vesicular amine transporters","Jumonji domain-containing","CMGC protein ki
nase group","Short peptide receptor (family A GPCR)","Glycohormone receptor","Cysteine protease CD clan","Monoamine receptor","Metallo protease MAE clan","MBT domain","ABCG subfamily","Cytochrome P450
 family 3A","ABCC subfamily","CMGC protein kinase MAPK family","Neuropeptide receptor","Cysteine protease C14 family","Acetylcholine receptor","Metallo protease M34 family","Cytochrome P450 3A4","Opio
id receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Transporters,Enzymes,Receptors,"ATP-binding cassette transporter family","SLC superfamily of solute carriers","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Pepti
dases and proteinases","Eicosanoid turnover","Cytochrome P450","ABCB subfamily","SLC18 family of vesicular amine transporters","1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK fa
milies","Neuropeptide S receptor","Glycoprotein hormone receptors","CD: Cysteine (C) Peptidases","Acetylcholine receptors (muscarinic)",Lipoxygenases,"ABCG subfamily","CYP3 family","ABCC subfamily","O
pioid receptors","Mitogen-activated protein kinases (MAP kinases)","C14: Caspase","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Developmental Biology","Immune System",Disease,"Gene expression (Transcription)","Cell Cycle","Signal Transduction","DNA Repair","Transport of small molecules",Hemostasi
s,"Programmed Cell Death","Abacavir transport and metabolism","Transmission across Chemical Synapses","Metabolism of amino acids and derivatives","Biological oxidations","Nervous system development","
Innate Immune System","Infectious disease","RNA Polymerase II Transcription",Mitotic,"Signaling by GPCR","Base Excision Repair","SLC-mediated transmembrane transport","Metabolism of lipids","Platelet 
activation","signaling and aggregation","DNA Double-Strand Break Repair",Apoptosis,"Disorders of transmembrane transporters","Abacavir transmembrane transport","Neurotransmitter release cycle","Branch
ed-chain amino acid catabolism","Phase I - Functionalization of compounds","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Toll-like Receptor Cascades","Leishmania infection","Generi
c Transcription Pathway","M Phase","GPCR ligand binding","Resolution of Abasic Sites (AP sites)","Transport of bile salts and organic acids","metal ions and amine compounds","Biosynthesis of specializ
ed proresolving mediators (SPMs)","Mitotic G1 phase and G1/S transition","Uptake and actions of bacterial toxins","Platelet Aggregation (Plug Formation)","Neutrophil degranulation","Metabolism of ster
oids","Homology Directed Repair","Neurotransmitter receptors and postsynaptic signal transmission","Intrinsic Pathway for Apoptosis","ABC transporter disorders","GPCR downstream signalling","Dopamine 
Neurotransmitter Release Cycle","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase
","Class A/1 (Rhodopsin-like receptors)","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Na+/Cl- dependent neurotransmitter transporters","Biosynthesis of DPA-derived S
PMs","G1/S Transition","Uptake and function of anthrax toxins","Bile acid and bile salt metabolism","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Activation of NMDA re
ceptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Apoptotic factor-mediated response","Defective ABCC2 causes DJS","G alpha (i) signalling events","MyD88 cascade initiated on plasma
 membrane","Anti-inflammatory response favouring Leishmania parasite infection","TP53 Regulates Transcription of Cell Death Genes","Mitotic Anaphase","Amine ligand-binding receptors","PCNA-Dependent L
ong Patch Base Excision Repair","Biosynthesis of DPAn-3 SPMs","Activation of the pre-replicative complex","Synthesis of bile acids and bile salts","Regulation of TP53 Activity","HDR through Homologous
 Recombination (HRR)","Post NMDA receptor activation events","Biosynthesis of maresins","Cytochrome c-mediated apoptotic response","Opioid Signalling","MAP kinase activation","ADORA2B mediated anti-in
flammatory cytokines production","TP53 Regulates Transcription of Caspase Activators and Caspases","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","Biosynthesis of DPAn-3-deriv
ed protectins and resolvins","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Regulation of TP53 Activity through Methylation","Homologous DNA Pairing and Strand Exchange","Acti
vation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","Activation of caspases through apoptosome-mediated cleavage","G-protein activation","MAPK targets/ Nuclear events mediated by 
MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{SLC18A1,SLC18A2}

> <broad_moa>
{"vesicular monoamine transporter inhibitor"}

> <synonyms>
{reserpine,50-55-5,50555,Serpalan,Serpasil,Serpivite,Apoplon,Hypersil,Alserin,Elserpine,Hiserpia,Raunervil,Raupasil,Rausedil,Rausedyl,Rauwasedin,Reserpin,Serpanray,Resine,Rivasin,Sandril,Serpate,(-)-R
eserpine,()Reserpine,Rau-Sed,RauSed,Ascoserpina,Austrapine,Bioserpine,E,T0791,1500526,Prestw-875,Reserpine,RESERPINE}

> <pdid>
PD001766

> <targets>
{Autophagy,Monoamine Transporter}

> <classes>
{antihypertensive,Autophagy,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{5770}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 43 47  0  0  1  0            999 V2000
   -3.9277   -9.7248    0.0000 C   0  0
   -3.9224   -8.2248    0.0000 C   0  0  2  0  0  0
   -2.6208   -7.4793    0.0000 O   0  0
   -2.6155   -5.9793    0.0000 C   0  0  1  0  0  0
   -1.3117   -5.2360    0.0000 O   0  0
   -0.0156   -5.9928    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0  1  0  0  0
    1.2935   -3.7495    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    6.4923    3.7567    0.0000 O   0  0
    3.8943    3.7525    0.0000 C   0  0
    3.8919    5.2525    0.0000 O   0  0
    2.5964    3.0004    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0  1  0  0  0
    5.1932   -3.0130    0.0000 O   0  0
    3.8864   -5.2585    0.0000 C   0  0  1  0  0  0
    5.1828   -6.0130    0.0000 O   0  0
    2.5847   -6.0040    0.0000 C   0  0  2  0  0  0
    2.5796   -7.5040    0.0000 O   0  0
   -3.9120   -5.2248    0.0000 C   0  0  1  0  0  0
   -3.9068   -3.7248    0.0000 O   0  0
   -5.2137   -5.9703    0.0000 C   0  0  2  0  0  0
   -6.5101   -5.2158    0.0000 O   0  0
   -5.2189   -7.4703    0.0000 C   0  0  1  0  0  0
   -6.5205   -8.2158    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  6
  5  6  1  0
  7  6  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  1
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 14  1  0
 21 22  1  0
 22 11  1  0
 22 23  2  0
 12 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  2  0
 31 24  1  0
  9 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  1
 34 36  1  0
 36  7  1  0
 36 37  1  6
  4 38  1  0
 38 39  1  6
 38 40  1  0
 40 41  1  1
 40 42  1  0
 42  2  1  0
 42 43  1  6
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15456

> <plate>
PLATE 003

> <well>
A2

> <supplier_cmpd_name>
Rutin

> <ctcr_id>
7806

> <supplier_cmpd_id>
T0795

> <smiles>
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O

> <pd_targets>
{XDH,NA,ADRA2C,ALB,KDM1A,ACHE,TGR,PRSS1,PRSS2,PRSS3,ADRA2A,AKR1B1,POLB,GAA,MAPK1,EPHX2,ALD,NANH,KDM4E,MAPT,NMUR2,CYP3A4,L3MBTL1,APEX1,RECQL,AMPC,DYRK1A}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Secreted protein","Epigenetic regulator","Other cytosolic protein",Oxidoreductase,Hydrolase,"Family A G protein-coupled receptor",Eraser,Protease,Kinase,"Cytochrome P450",
"Small molecule receptor (family A GPCR)","Lysine demethylase","Serine protease","Protein Kinase","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Monoamine receptor","Lysine-specific de
methylase","Serine protease PA clan","CMGC protein kinase group","Serine protease SC clan","Jumonji domain-containing","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Adrenergic 
receptor","Serine protease S1A subfamily","CMGC protein kinase MAPK family","Serine protease S33 family","Neuromedin U receptor","Cytochrome P450 3A4","CMGC protein kinase ERK1",Reader,"Methyl-lysine/
arginine binding protein","MBT domain","CMGC protein kinase DYRK family","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"1.-.-.- Oxidoreductases","G protein-coupled receptors","Chromatin modifying enzymes","Acetylcholine turnover","3.2.1.- Glycosidases","Kinases (EC 2.7.x.x)",Hydrolases,"Cytochrome P
450",Adrenoceptors,"1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Neuromedin U receptors","CYP3 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfam
ily","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Dyrk1 subfamily"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","DNA Repair",Disease,"Immune System","Neuronal System","Metabolism of nucleotides","Signaling by GPCR","Metabolism of lipids","Intracellular signaling by second messe
ngers","Base Excision Repair","Diseases of metabolism","Innate Immune System","Transmission across Chemical Synapses","Nucleobase catabolism","GPCR ligand binding","Metabolism of steroids","PIP3 activ
ates AKT signaling","Phospholipid metabolism","Resolution of Abasic Sites (AP sites)","Diseases of carbohydrate metabolism","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving medi
ators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Purine catabolism","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","PTEN Regulation","Glyce
rophospholipid biosynthesis","Metabolism of steroid hormones","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Glycogen storage diseases","Toll Like Receptor 5 (TLR5) Ca
scade","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Amine ligand-binding receptors","Recycling of bile acids and salts","Regulation of PTEN gene transcrip
tion","Synthesis of PC","Pregnenolone biosynthesis","PCNA-Dependent Long Patch Base Excision Repair","Glycogen storage disease type II (GAA)","MyD88 cascade initiated on plasma membrane","Biosynthesis
 of maresins","Post NMDA receptor activation events","Peptide ligand-binding receptors",Adrenoceptors,"MAP kinase activation","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SP
Ms","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated","Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway"
,"Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity through Methylation","Cell Cycle",Mitotic,"Mitotic G1 phase and G1/S transition","G0 and Early G1"}

> <broad_targets>
{AKR1C3}

> <broad_moa>
{antioxidant,"capillary stabilizing agent","nitric oxide scavenger"}

> <synonyms>
{SW2192401,"SW219240 1",BRD-K22924152-001-01-4,BRDK22924152001014,"BRD K22924152 001 01 4",S2350,Rutin}

> <pdid>
PD001996

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{129009988}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15  9  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18  2  1  0
 18  6  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15457

> <plate>
PLATE 003

> <well>
A3

> <supplier_cmpd_name>
Antrapurol

> <ctcr_id>
176

> <supplier_cmpd_id>
T0800

> <smiles>
Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12

> <pd_targets>
{FFP,MAPT,KMT2A,MEN1,HSD17B10,MAPK1,HTT,ALDH1A1,RORC,HPGD,ALOX15,LMNA,TSHR,RXRA}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator",Transferase,Reader,Bromodomain,"Unclassified protein","Transcription factor","Other nuclear protein","Membrane receptor",Oxidoreductase,Kinase,
"Nuclear receptor","Family A G protein-coupled receptor","Protein Kinase","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 2","CMGC protein
 kinase group","Nuclear hormone receptor subfamily 1 group F","Glycohormone receptor","Nuclear hormone receptor subfamily 2 group B","CMGC protein kinase MAPK family","Nuclear hormone receptor subfami
ly 1 group F member 3","Nuclear hormone receptor subfamily 2 group B member 1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Eicosanoid turnover","G protein-coupled receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orp
hans","Prostaglandin synthases",Lipoxygenases,"Glycoprotein hormone receptors","2B. Retinoid X receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor 
activation events","Activation of AMPK downstream of NMDARs",Metabolism,"Immune System","Gene expression (Transcription)","Cell Cycle",Disease,"Metabolism of amino acids and derivatives","Innate Immun
e System","RNA Polymerase II Transcription","Biological oxidations","Metabolism of lipids",Mitotic,"Infectious disease","Branched-chain amino acid catabolism","Toll-like Receptor Cascades","Generic Tr
anscription Pathway","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Leishmania infection","Metabolism of steroids","Toll Like Recepto
r 5 (TLR5) Cascade","Transcriptional Regulation by MECP2","Ethanol oxidation","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Mitotic Metap
hase and Anaphase","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","MyD88 cascade initiated on plasma membrane","Regulation of MECP2 expression and activity","RUNX3 Regu
lates Immune Response and Cell Migration","Biosynthesis of D-series resolvins","Biosynthesis of DPAn-3 SPMs","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Sy
nthesis of bile acids and bile salts","MAP kinase activation","Biosynthesis of DPAn-3-derived protectins and resolvins","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines
 production","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targe
ts","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{laxative}

> <synonyms>
{danthron,"1,8-Dihydroxyanthraquinone","1,8Dihydroxyanthraquinone",117-10-2,117102,Chrysazin,Dantron,Antrapurol,Dorbane,Istizin,Laxanthreen,Diaquone,Laxanorm,Altan,"1,8-Dihydroxyanthracene-9,10-dione"
,"1,8Dihydroxyanthracene9,10dione",Laxipurin,Zwitsalax,Danivac,Dionone,Duolax,Laxipur,9,10-Anthracenedione,10Anthracenedione,1,8-dih,8dih,T0800,NSC7210,211468,"NSC 7210",DANTHRON,LTAN}

> <pdid>
PD000118

> <targets>
{AMPK,Autophagy,Bacterial,Virus Protease}

> <classes>
{cathartic,Anti-infection,Autophagy,Epigenetics,PI3K/Akt/mTOR}

> <pubchem_cids>
{2950}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 33  0  0  0  0            999 V2000
    7.6048    5.6130    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9985    0.0000 N   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 N   0  0
   -2.6016    7.4994    0.0000 C   0  0
   -1.3011    8.2485    0.0000 C   0  0
   -1.2986    9.7493    0.0000 C   0  0
    0.0020   10.4984    0.0000 C   0  0
    0.0067   11.9984    0.0000 C   0  0
    1.3080   12.7444    0.0000 C   0  0
    2.6048   11.9904    0.0000 C   0  0
    2.6001   10.4904    0.0000 C   0  0
    1.2988    9.7444    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -7.7884   -1.5181    0.0000 F   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
    5.1048    5.6130    0.0000 Cl  0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 13 23  1  0
 23 24  1  0
 24 10  1  0
  9 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 31 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15458

> <plate>
PLATE 003

> <well>
A4

> <supplier_cmpd_name>
Flunarizine dihydrochloride

> <ctcr_id>
11074

> <supplier_cmpd_id>
T0806

> <smiles>
Cl.Fc1ccc(cc1)C(N1CCN(C/C=C/c2ccccc2)CC1)c1ccc(F)cc1.Cl

> <pd_targets>
{PMP22,OPRK1,LMNA,NPSR1,KMT2A,MEN1,GMNN,OPRM1,BLM,OPRD1,NFO,CACNA1H,CYP2J2,SCN1A,SCN2A,SCN3A,DRD2,CACNA1I,SKA,CYP2D6,ADRA1A,ADRA1B,CACNA1G,CNR1,KCNK2,MAPT,ADORA3,ADRA2A,ADRA2C,DRD3,SLC6A3,HTR1A,HTR2A,
HRH1,CHRM1,HTR2B,SLC6A2,CHRM4,CACNA1B,CACNA2D1,CACNB1,ADRA1D,ADRA2B,SLC6A4,CHRM3,CHRM5,SIGMAR1,HTR2C,KCNH2,CALM1}

> <pathway_gtopdb>
{"Unclassified protein","Membrane receptor","Other nuclear protein","Epigenetic regulator",Enzyme,"Ion channel","Other cytosolic protein",Transporter,"Family A G protein-coupled receptor",Reader,Hydro
lase,"Voltage-gated ion channel",Kinase,"Cytochrome P450","Electrochemical transporter","Peptide receptor (family A GPCR)",Bromodomain,"Voltage-gated calcium channel","Voltage-gated sodium channel","S
mall molecule receptor (family A GPCR)","Cytochrome P450 family 2","Potassium channels","SLC superfamily of solute carriers","Short peptide receptor (family A GPCR)","Monoamine receptor","Cytochrome P
450 family 2D","Lipid-like ligand receptor (family A GPCR)","Two-pore domain potassium channel","Nucleotide-like receptor (family A GPCR)","SLC06 neurotransmitter transporter family","Voltage-gated po
tassium channel","Opioid receptor","Neuropeptide receptor","Dopamine receptor","Cytochrome P450 2D6","Adrenergic receptor","Cannabinoid receptor","Adenosine receptor","Serotonin receptor","Histamine r
eceptor","Acetylcholine receptor"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,Transporters,"Other protein targets","G protein-coupled receptors","Voltage-gated ion channels","Cytochrome P450","SLC superfamily of solute carriers","Sigma receptor
s","Opioid receptors","Neuropeptide S receptor","Voltage-gated calcium channels","CYP2 family: drug metabolising subset","Dopamine receptors",Adrenoceptors,"Voltage-gated sodium channels","Cannabinoid
 receptors","Potassium channels","Adenosine receptors","SLC6 neurotransmitter transporter family","5-Hydroxytryptamine receptors","Histamine receptors","Acetylcholine receptors (muscarinic)","Two P do
main potassium channels","Monoamine transporter subfamily","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Developmental Biology","Gene expression (Transcription)","Cell Cycle",Disease,"Signal Transduction","DNA Repair",Metabolism,"Neuronal System","Muscle contraction","Nervous system development","RNA P
olymerase II Transcription",Mitotic,"Infectious disease","Signaling by GPCR","DNA Double-Strand Break Repair","Biological oxidations","Potassium Channels","Transmission across Chemical Synapses","Diso
rders of transmembrane transporters","Cardiac conduction","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Generic Transcription Pathway","M Phase","Leishmania infection","Mitotic G1 
phase and G1/S transition","GPCR downstream signalling","Homology Directed Repair","GPCR ligand binding","Axon guidance","Phase I - Functionalization of compounds","Tandem pore domain potassium channe
ls","Neurotransmitter receptors and postsynaptic signal transmission","SLC transporter disorders","Neurotransmitter clearance","SARS-CoV Infections","Presynaptic depolarization and calcium channel ope
ning","Phase 3 - rapid repolarisation","Transcriptional Regulation by MECP2","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","G1/S Transition","G alpha (i) signalling events
","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Class A/1 (Rhodopsin-like receptors)","NCAM signaling for neurite out-growth","Cytochrome P450 - arranged by substrate 
type","L1CAM interactions","TWIK related potassium channel (TREK)","Activation of NMDA receptors and postsynaptic events","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Defective S
LC6A2 causes orthostatic intolerance (OI)","Serotonin clearance from the synaptic cleft","Potential therapeutics for SARS","MECP2 regulates neuronal receptors and channels","Mitotic Anaphase","Anti-in
flammatory response favouring Leishmania parasite infection","Activation of the pre-replicative complex","Opioid Signalling","HDR through Homologous Recombination (HRR)","Peptide ligand-binding recept
ors","NCAM1 interactions","Fatty acids","Amine ligand-binding receptors",Xenobiotics,"Interaction between L1 and Ankyrins","Post NMDA receptor activation events","Nucleotide-like (purinergic) receptor
s","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","G-protein activation","Homologous DNA Pairing and Strand Exchange","Dopamine receptors","CYP2E1 reactio
ns",Adrenoceptors,"Activation of AMPK downstream of NMDARs","Adenosine P1 receptors","Serotonin receptors","Histamine receptors","Muscarinic acetylcholine receptors","CREB1 phosphorylation through NMD
A receptor-mediated activation of RAS signaling","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Ras activation upon Ca2+ influx th
rough NMDA receptor"}

> <broad_targets>
{CACNA1G,CACNA1H,CACNA1I,CALM1,HRH1}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{"flunarizine hydrochloride",30484-77-6,30484776,"30484 77 6","Flunarizine 2HCl","Flunarizine HCl",Sibelium,"1-(Bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine dihydrochloride","1(Bis(4fluorophenyl)me
thyl)4cinnamylpiperazine dihydrochloride","1 (Bis(4 fluorophenyl)methyl) 4 cinnamylpiperazine dihydrochloride","Flunarizine (dihydrochloride)",UNII-C111,UNIIC111,"UNII C111",T0806,"Flunarizine dihydro
chloride"}

> <pdid>
PD009365

> <targets>
{"Calcium Channel"}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{5282407}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 21 20  0  0  0  0            999 V2000
   15.4003   -1.1250    0.0000 H   0  3
   12.9003   -1.1250    0.0000 Cl  0  5
   10.3996   -1.4837    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    9.0964    0.7636    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 12  1  0
 21 16  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15459

> <plate>
PLATE 003

> <well>
A5

> <supplier_cmpd_name>
Propranolol hydrochloride

> <ctcr_id>
2371

> <supplier_cmpd_id>
T0812

> <smiles>
[H+].[Cl-].CC(C)NCC(O)COc1cccc2ccccc12

> <pd_targets>
{PMP22,LMNA,AMPC,APEX1,NFKB1,LEF,HTR2A,HTR2B,HTR2C,CYP2D6,CHRM1,THPO,CYP1A2,HSD17B10,ADRB2,SLC10A1,SCN1A,SCN2A,SCN3A,TSHR,HTR1B,CACNA1S,HTR1A,MAPK1,TP53,CYP2D26,CYP2C9,ADRB1,SLC6A4,SIGMAR1,CACNA1C,CAC
NA1D,ALDH1A1,ADRB3,KCNH2,DRD2,ABCB1,SCN5A,HTR6,SLC22A1,HTR5A,HTR1D,HTR1F}

> <pathway_gtopdb>
{"Unclassified protein","Other nuclear protein",Enzyme,"Other cytosolic protein","Membrane receptor",Transporter,"Ion channel","Transcription factor",Hydrolase,Protease,"Family A G protein-coupled rec
eptor","Cytochrome P450",Oxidoreductase,"Electrochemical transporter","Voltage-gated ion channel",Kinase,"Metallo protease","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","Cytoch
rome P450 family 1","SLC superfamily of solute carriers","Voltage-gated sodium channel","Peptide receptor (family A GPCR)","Voltage-gated calcium channel","Protein Kinase","Metallo protease MAE clan",
"Monoamine receptor","Cytochrome P450 family 2D","Cytochrome P450 family 1A","SLC10 family of sodium-bile acid co-transporters","Glycohormone receptor","CMGC protein kinase group","Cytochrome P450 fam
ily 2C","SLC06 neurotransmitter transporter family","Metallo protease M34 family","Serotonin receptor","Cytochrome P450 2D6","Acetylcholine receptor","Cytochrome P450 1A1","Adrenergic receptor","CMGC 
protein kinase MAPK family","Cytochrome P450 2D2","Cytochrome P450 2C9","CMGC protein kinase ERK1","Primary active transporter","Potassium channels","ATP-binding cassette","Voltage-gated potassium cha
nnel","ABCB subfamily","SLC22 family of organic cation and anion transporters","Dopamine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Other protein targets","Cytochrome P450","G protein-coupled receptors","SLC superfamily of solute carriers","Voltage-gated ion channels","Kinases (EC 2.
7.x.x)","Sigma receptors","CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)","CYP1 family",Adrenoceptors,"SLC10 family of sodium-bile acid co-transporters","Glycoprotein ho
rmone receptors","5-Hydroxytryptamine receptors","Voltage-gated calcium channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLC6 neurotransmitter transporter family","Mitogen-activated protein 
kinases (MAP kinases)","Monoamine transporter subfamily","ERK subfamily","ATP-binding cassette transporter family","Potassium channels","Dopamine receptors","ABCB subfamily","Voltage-gated sodium chan
nels","SLC22 family of organic cation and anion transporters","Voltage-gated potassium channels","Organic cation transporters (OCT)"}

> <pathway_reactome>
{"Developmental Biology","Cell Cycle","DNA Repair","Immune System",Disease,Metabolism,"Signal Transduction",Hemostasis,"Neuronal System","Nervous system development",Mitotic,"Base Excision Repair","Cy
tokine Signaling in Immune system","Infectious disease","Biological oxidations","Signaling by GPCR","Platelet activation","signaling and aggregation","Metabolism of amino acids and derivatives","Metab
olism of lipids","Innate Immune System","Cell Cycle Checkpoints","Transmission across Chemical Synapses","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Resolution of Abasi
c Sites (AP sites)","Signaling by Interleukins","Uptake and actions of bacterial toxins","Phase I - Functionalization of compounds","GPCR ligand binding","Platelet Aggregation (Plug Formation)","Branc
hed-chain amino acid catabolism","Leishmania infection","Metabolism of steroids","Axon guidance","Toll-like Receptor Cascades","G1/S DNA Damage Checkpoints","Neurotransmitter clearance","SARS-CoV Infe
ctions","Mitotic Metaphase and Anaphase","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Interleukin-1 family signaling","Uptake and function of anthrax toxins","Cytoch
rome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","NCAM signaling for neurite out-growth","T
oll Like Receptor 5 (TLR5) Cascade","p53-Dependent G1/S DNA damage checkpoint","Serotonin clearance from the synaptic cleft","Potential therapeutics for SARS","Mitotic Anaphase","PCNA-Dependent Long P
atch Base Excision Repair","Interleukin-1 signaling",Xenobiotics,"Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Recycling of bile acids and salt
s","NCAM1 interactions","MyD88 cascade initiated on plasma membrane","p53-Dependent G1 DNA Damage Response","Nuclear Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","CYP2E1 reac
tions","Muscarinic acetylcholine receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated anti-inflammatory cytokines production","Serotonin receptors","MAP kina
se activation","Stabilization of p53","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","ERK/MA
PK targets","ERKs are inactivated","Muscle contraction","Transport of small molecules","Cardiac conduction","Abacavir transport and metabolism","SLC-mediated transmembrane transport","Phase 3 - rapid 
repolarisation","Abacavir transmembrane transport","Transport of bile salts and organic acids","metal ions and amine compounds","Ethanol oxidation","L1CAM interactions","Organic cation/anion/zwitterio
n transport","Interaction between L1 and Ankyrins","Organic cation transport","Dopamine receptors"}

> <broad_targets>
{ADRB1,HTR1A,HTR5A,SLC10A1}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{Efektolol,"Propranolol hydrochloride",318-98-9,318989,"Propranolol Hcl",Inderal,Anaprilin,Avlocardyl,Berkolol,Caridolol,Herzbase,Inderalici,Naprilin,Pronovan,Dociton,Ikopal,Kemi,"Beta Neg","InnoPran 
XL","Propranolol chloride",Inderex,propranol,S4076,SAM002699889,1505270,"Propranolol HCl",CPD000059167,"PROPRANOLOL HYDROCHLORIDE (+/-)"}

> <pdid>
PD007086

> <targets>
{"Adrenergic Receptor"}

> <classes>
{antianginal,"GPCR & G Protein",antiarrhythmic,antihypertensive}

> <pubchem_cids>
{62882,43834240,25137848}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 13 13  0  0  0  0            999 V2000
   -0.4763   -3.7706    0.0000 C   0  0
    1.0157   -3.6164    0.0000 C   0  0
    1.8949   -4.8318    0.0000 O   0  0
    1.6281   -2.2462    0.0000 N   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 N   0  0
    0.0000    2.7742    0.0000 S   0  0
   -1.2993    3.5238    0.0000 N   0  0
    1.2985    3.5251    0.0000 O   0  0
   -0.0007    4.2742    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  5  2  0
  7 10  1  0
 10 11  1  0
 10 12  2  0
 10 13  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15460

> <plate>
PLATE 003

> <well>
A6

> <supplier_cmpd_name>
Acetazolamide

> <ctcr_id>
5697

> <supplier_cmpd_id>
T0813

> <smiles>
CC(=O)Nc1sc(nn1)[S](N)(=O)=O

> <pd_targets>
{CA1,CA2,CA9,CA12,CA14,CA3,CA7,CA4,CA15,NCE103,MTCA1,CA13,THRB,CAH1,CA11,CA6,CA5A,MTCA2,CA5B,AMPC,BLM,CAH2,CYNT,CTS1,KMT2A,MEN1,1272966,AQP1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein","Epigenetic regulator",Lyase,"Nuclear receptor",Hydrolase,Reader,"Nuclear hormone receptor subfamily 1",Bromodomain,"Nuclear hormone receptor subf
amily 1 group A","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Carbonic anhydrases","Nuclear hormone receptors","Other ion channels","1A. Thyroid hormone receptors",Aquaporins}

> <pathway_reactome>
{"Immune System","Transport of small molecules","Cellular responses to external stimuli",Metabolism,"Metabolism of proteins","DNA Repair","Cytokine Signaling in Immune system","O2/CO2 exchange in eryt
hrocytes","Cellular responses to stress","Reversible hydration of carbon dioxide","Post-translational protein modification","DNA Double-Strand Break Repair","Aquaporin-mediated transport","Signaling b
y Interleukins","Erythrocytes take up carbon dioxide and release oxygen","Cellular response to hypoxia",SUMOylation,"Homology Directed Repair","Passive transport by Aquaporins","Interleukin-12 family 
signaling","Regulation of gene expression by Hypoxia-inducible Factor","SUMO E3 ligases SUMOylate target proteins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Interl
eukin-12 signaling","SUMOylation of intracellular receptors","HDR through Homologous Recombination (HRR)","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Homologo
us DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{AQP1,CA1,CA12,CA14,CA2,CA3,CA4,CA7}

> <broad_moa>
{"carbonic anhydrase inhibitor"}

> <synonyms>
{RESTW,acetazolamide,59-66-5,59665,Diamox,"N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide","N(5Sulfamoyl1,3,4thiadiazol2yl)acetamide",Acetazolamid,Acetamox,Diacarb,Glaupax,Defiltran,Nephramide,Cidamex
,Diluran,Edemox,Dehydratin,Diuramid,Diutazol,Duiramid,Eumicton,Natrionex,Nephramid,Phonurit,Diakarb,Do,T0813,SAM002554883,1500102,Prestw-3,Acetazolamide,CPD000058394,ACETAZOLAMIDE}

> <pdid>
PD002491

> <targets>
{Autophagy,Carbonic Anhydrase}

> <classes>
{carbonic anhydrase inhibitor,antiglaucoma,diuretic,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{1986}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8915    3.7585    0.0000 C   0  0
    5.1932    3.0131    0.0000 O   0  0
    3.8863    5.2585    0.0000 C   0  0
    5.1828    6.0130    0.0000 C   0  0
    5.1775    7.5130    0.0000 C   0  0
    3.8759    8.2585    0.0000 C   0  0
    2.5795    7.5040    0.0000 C   0  0
    2.5847    6.0040    0.0000 C   0  0
    1.2883    5.2495    0.0000 O   0  0
    1.2934    3.7495    0.0000 C   0  0
    0.4291    3.2465    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    2.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15  5  1  0
 15 16  2  0
  3 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25  2  1  0
 25 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15461

> <plate>
PLATE 003

> <well>
A7

> <supplier_cmpd_name>
Dicumarol

> <ctcr_id>
4134

> <supplier_cmpd_id>
T0809

> <smiles>
OC1=C(CC2=C(O)c3ccccc3OC2=O)C(=O)Oc4ccccc14

> <pd_targets>
{CYP2C9,NQO1,CYP2C19,CYP1A2,FABI,PCSK7,KMT2A,MEN1,AKR1B1,ALDH1A1,CYP3A4,HISG,TP53,ABCB11,LMNA,TSHR,MAPK1,GPR35,VKORC1,CRYZ}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor",Transporter,"Other nuclear protein","Membrane receptor","Cytochrome P450",Oxidoreductase,Protease,Reader,Transferase,"Primary active transporter",
"Family A G protein-coupled receptor",Hydrolase,Kinase,"Cytochrome P450 family 2","Cytochrome P450 family 1","Serine protease",Bromodomain,"Cytochrome P450 family 3","ATP-binding cassette","Peptide re
ceptor (family A GPCR)","Protein Kinase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Serine protease SB clan","Cytochrome P450 family 3A","ABCB s
ubfamily","Glycohormone receptor","CMGC protein kinase group","Carboxylic acid receptor","Cytochrome P450 2C9","Cytochrome P450 2C19","Cytochrome P450 1A1","Serine protease S8B subfamily","Cytochrome 
P450 3A4","CMGC protein kinase MAPK family","Kynurenic acid receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Cytochrome P450","Peptidases and proteinases","1.-.-.- Oxidoreductases","ATP-binding cassette transporter family","G protein-coupled receptors","Kinases (EC 2.7.x.x)",
"CYP2 family: drug metabolising subset","CYP1 family","SB: Serine (S) Peptidases","CYP3 family","ABCB subfamily","Glycoprotein hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Orpha
n and other 7TM receptors","S8: Subtilisin","Mitogen-activated protein kinases (MAP kinases)","Class A Orphans","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Immune System","Signal Transduction","Biological oxidations","Metabolism of amino acids and derivatives","Metabolism of lipids","Cell Cycle Checkpoints",Mitotic,"Infe
ctious disease","Innate Immune System","Signaling by GPCR","Metabolism of vitamins and cofactors","Phase I - Functionalization of compounds","Metabolism of polyamines","Metabolism of steroids","Biosyn
thesis of specialized proresolving mediators (SPMs)","G1/S DNA Damage Checkpoints","M Phase","Leishmania infection","Toll-like Receptor Cascades","GPCR ligand binding","Metabolism of fat-soluble vitam
ins","Cytochrome P450 - arranged by substrate type","Regulation of ornithine decarboxylase (ODC)","Metabolism of steroid hormones","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","p53-Dependent
 G1/S DNA damage checkpoint","Bile acid and bile salt metabolism","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Toll Like Receptor 5 (TLR5) Cascade","Class A/1 (Rhodopsin
-like receptors)","Metabolism of vitamin K",Xenobiotics,"Pregnenolone biosynthesis","Biosynthesis of maresins","p53-Dependent G1 DNA Damage Response","Synthesis of bile acids and bile salts","Mitotic 
Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","MyD88 cascade initiated on plasma membrane","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated b
y CYP1A2","Biosynthesis of maresin-like SPMs","Stabilization of p53","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-in
flammatory cytokines production","MAP kinase activation","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by M
AP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CRYZ,NQO1,VKORC1}

> <broad_moa>
{"NADPH inhibitor"}

> <synonyms>
{RESTW78,dicumarol,dicoumarol,66-76-2,66762,Bishydroxycoumarin,dicoumarin,melitoxin,bis-hydroxycoumarin,bishydroxycoumarin,Antitrombosin,Baracoumin,Dicoumal,Dicumarine,Acadyl,Acavyl,Dicuman,Dicumol,Tr
ombosan,Dufalone,Kumoran,Temparin,Cumid,Cuma,"Dicumaol R",3,3'-Methylenebis(4,3'Methylenebis(4,T0809,1500239,Prestw-785,Dicumarol,DICUMAROL}

> <pdid>
PD002380

> <targets>
{PDHK}

> <classes>
{anticoagulant,Metabolic Enzyme/Protease}

> <pubchem_cids>
{54676038}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 21 23  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0008    0.0000 C   0  0
    1.2979   -3.7529    0.0000 C   0  0
    1.2955   -5.2529    0.0000 C   0  0
   -0.0047   -6.0009    0.0000 C   0  0
   -0.0071   -7.5009    0.0000 O   0  0
   -1.3026   -5.2488    0.0000 C   0  0
   -2.6028   -5.9967    0.0000 O   0  0
   -1.3002   -3.7488    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  4  1  0
 11 12  1  0
 12 13  1  0
 13  2  1  0
 13 14  1  1
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  2  0
 21 14  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15462

> <plate>
PLATE 003

> <well>
A8

> <supplier_cmpd_name>
Cianidanol

> <ctcr_id>
808

> <supplier_cmpd_id>
T0822

> <smiles>
O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3

> <pd_targets>
{NOS3,NFKB1,PTGS1,TSHR,GAA,ALPG,ALPI,HSD17B10,KDM4E,TGR,CYP3A4,ALPL,RAD52,POLB,DNAB,RECA,SMN1,MAPT,RECQL,NPSR1,PTGS2,PMP22,APEX1,F2,ALDH1A1,BLM,DHODH,MGAM,MGAM2,SI,CA3,CA5A,KMT2A,MEN1,MAPK1,CA13,CA14,
FFP,ALOX15,CA2,CA5B,CA9,CA12,TDP1,CA1,CA7,CA15,CA4,CA6,ALD,HPGD}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Membrane receptor","Epigenetic regulator","Other nuclear protein",Oxidoreductase,"Family A G protein-coupled receptor",Hydrolase,Phosphatase,Eraser,"Cytochrome P450"
,"Peptide receptor (family A GPCR)","Lysine demethylase","Cytochrome P450 family 3","Glycohormone receptor","Jumonji domain-containing","Cytochrome P450 family 3A","Cytochrome P450 3A4","Unclassified 
protein",Reader,Protease,"Methyl-lysine/arginine binding protein","Serine protease","Tudor domain","Short peptide receptor (family A GPCR)","Serine protease PA clan","Neuropeptide receptor","Serine pr
otease S1A subfamily",Lyase,Kinase,Transferase,Bromodomain,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"L-Arginine turnover","Eicosanoid turnover","G protein-coupled receptors","3.2.1.- Glycosidases","Chromatin modifying enzymes","Cytochrome P450","Nitric oxide synthases",Cyclooxygen
ase,"Glycoprotein hormone receptors","1.14.11.- Histone demethylases","CYP3 family","Peptidases and proteinases","Neuropeptide S receptor","PA: Serine (S) Peptidases","S1: Chymotrypsin","Carbonic anhy
drases","Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Lipoxygenases,"Prostaglandin synthases","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Signal Transduction","Immune System",Metabolism,Disease,"Metabolism of proteins","DNA Repair","Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","Metabolism of lipids","I
nfectious disease","Diseases of metabolism","Post-translational protein modification","Metabolism of amino acids and derivatives","DNA Double-Strand Break Repair","Base Excision Repair","Signaling by 
VEGF","Signaling by Interleukins","Fatty acid metabolism","Leishmania infection","Diseases of carbohydrate metabolism","Post-translational modification: synthesis of GPI-anchored proteins","Phospholip
id metabolism","Branched-chain amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Homology Directed Repair","Resolution of Abasic Sites (AP sites)","VEGFA-VEGFR2 Pathw
ay","Interleukin-1 family signaling","Arachidonic acid metabolism","Leishmania parasite growth and survival","Glycogen storage diseases","Glycerophospholipid biosynthesis","Biosynthesis of DHA-derived
 SPMs","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","VEGFR2 mediated vascular permeabili
ty","Interleukin-1 signaling","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Anti-inflammatory response favouring Leishmania parasite infection","Glycogen storage disease type II (GAA)","Sy
nthesis of PA","Biosynthesis of maresins","HDR through Single Strand Annealing (SSA)","PCNA-Dependent Long Patch Base Excision Repair","MAP3K8 (TPL2)-dependent MAPK1/3 activation","ADORA2B mediated an
ti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Metabolism of RNA","Neuronal System","Developmental Biology","Metabolism of non-coding RNA","Transmission across Chemical Syn
apses","Nervous system development","Diseases of hemostasis","Biological oxidations","snRNP Assembly","Neurotransmitter receptors and postsynaptic signal transmission","EGR2 and SOX10-mediated initiat
ion of Schwann cell myelination","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Phase I - Functionalization of compounds","Activation of NMDA receptors and postsynapti
c events","Biosynthesis of DPA-derived SPMs","Defective factor VIII causes hemophilia A","Ethanol oxidation","Post NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs","Defective F8 cleavage
 by thrombin","HDR through Homologous Recombination (HRR)","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and stran
d exchange","Transport of small molecules","Cellular responses to external stimuli","Reversible hydration of carbon dioxide","Innate Immune System","O2/CO2 exchange in erythrocytes","Cellular response
s to stress","Toll-like Receptor Cascades","Erythrocytes take up carbon dioxide and release oxygen","Cellular response to hypoxia","Nonhomologous End-Joining (NHEJ)","Toll Like Receptor 5 (TLR5) Casca
de","Regulation of gene expression by Hypoxia-inducible Factor","Interleukin-12 family signaling","MyD88 cascade initiated on plasma membrane","Interleukin-12 signaling","Biosynthesis of D-series reso
lvins","MAP kinase activation","Biosynthesis of DPAn-3-derived protectins and resolvins","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","MAPK targets/ Nuclear eve
nts mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{PTGS1}

> <broad_moa>
{"fatty acid synthase inhibitor"}

> <synonyms>
{(+)-catechin,(+)catechin,Cianidanol,154-23-4,154234,CATECHIN,"Catechuic acid",Cyanidanol,D-Catechin,DCatechin,"Catechinic acid",Catergen,Cianidol,(+)-Cyanidanol,(+)Cyanidanol,(+)-Catechol,(+)Catechol
,Biocatechin,(+)-Cyanidan-3-ol,(+)Cyanidan3ol,"(+)-Catechin Hydrate","(+)Catechin Hydrate",D-(+)-Catechin,D(+)Catechin,Dexcyanidanol,D-Catechol,DCatechol,Catec,T0822,T2778,T2856,210205,Epicatechin,CIA
NIDANOL}

> <pdid>
PD002152

> <targets>
{Apoptosis,COX,Endogenous Metabolite,Influenza Virus}

> <classes>
{hepatoprotectant,Anti-infection,Apoptosis,Immunology/Inflammation,Metabolic Enzyme/Protease}

> <pubchem_cids>
{9064}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 16 18  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 Se  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.9048   -5.7699    0.0000 C   0  0
    2.7505   -7.0088    0.0000 C   0  0
    4.2462   -6.8959    0.0000 C   0  0
    4.8963   -5.5441    0.0000 C   0  0
    4.0507   -4.3052    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  2  1  0
 10  5  1  0
  3 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15463

> <plate>
PLATE 003

> <well>
A9

> <supplier_cmpd_name>
Ebselen

> <ctcr_id>
116

> <supplier_cmpd_id>
T0825

> <smiles>
O=C1N([Se]c2ccccc12)c3ccccc3

> <pd_targets>
{GALE,HK1,HSD17B10,PLIN5,PKM,RORC,HIF1A,GNAI1,RGS12,POLB,SKA,NPSR1,G6PD-6PGL,MAPT,ALDH1A1,FFP,ALOX12,ALD,HPGD,THPO,TP53,GMNN,EPHX2,BBOX1,HDAC6,MPI,PHOSPHO1,TIM23,ACHE,UREA,UREB,REP,MAP2,BCHE,LMNA,PYK,
ALOX15,TIM10,PTGS1,KDM4E,TGR,KMT2A,MEN1,PMM2,ABHD5,PLIN1,ARRB1,IDO1,TCDB,TRXB,NFKB1,EHMT2,GLA,LEF,CYP3A4,EIF4G1,MIF,EHMT1,HDAC9,HDAC5,PANC,RMLC,MURA,CASP1,CYP2C19,PMP22,AMPC,CYP2C9,G6PD,HTT,FTL,METAP2
,ALDOA,CYP2D6,MTOR,NCF1,IDE,QSOX1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Membrane receptor","Other cytosolic protein","Unclassified protein","Epigenetic regulator","Other nuclear protein",Isomerase,Oxidoreductase,"Nuclear receptor",Kinase,"F
amily A G protein-coupled receptor",Transferase,Protease,Eraser,Phosphatase,Hydrolase,Reader,Writer,"Cytochrome P450",Ligase,Lyase,"Nuclear hormone receptor subfamily 1","Peptide receptor (family A GP
CR)","Serine protease","Histone deacetylase","Cysteine protease","Lysine demethylase",Bromodomain,"Protein methyltransferase","Metallo protease","Cytochrome P450 family 3","Cytochrome P450 family 2","
Protein Kinase","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Serine protease SC clan","HDAC class IIb","Cysteine protease CA clan","Jumonji domain-containin
g","Metallo protease MAE clan","Cytochrome P450 family 3A","HDAC class IIa","Cysteine protease CD clan","Cytochrome P450 family 2C","Metallo protease MG clan","Cytochrome P450 family 2D","Atypical pro
tein kinase group","Nuclear hormone receptor subfamily 1 group F member 3","Neuropeptide receptor","Serine protease S33 family","Cysteine protease C1A family","Metallo protease M34 family","Cytochrome
 P450 3A4","Cysteine protease C14 family","Cytochrome P450 2C19","Cytochrome P450 2C9","Metallo protease M24A subfamily","Cytochrome P450 2D6","Atypical protein kinase PIKK family","Atypical protein k
inase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","2.7.1.40 Pyruvate kinases","Nuclear hormone receptors","G protein-coupled receptors","Eicosanoid turnover",Hydrolases,"Chromatin modifying enzymes","Acetylc
holine turnover","Anti-infective targets","1.13.11.- Dioxygenases","Cytochrome P450","Peptidases and proteinases","Kinases (EC 2.7.x.x)","1F. Retinoic acid-related orphans","Neuropeptide S receptor",L
ipoxygenases,"Prostaglandin synthases","3.5.1.- Histone deacetylases (HDACs)","Viral protein targets",Cyclooxygenase,"1.14.11.- Histone demethylases","2.1.1.43 Histone methyltransferases (HMTs)","CYP3
 family","CD: Cysteine (C) Peptidases","CYP2 family: drug metabolising subset","MG: Metallo (M) Peptidases",Atypical,"ME: Metallo (M) Peptidases","Coronavirus (CoV) proteins","C14: Caspase","M24: Meth
ionyl aminopeptidase","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","M16: Pitrilysin","FRAP subfamily"}

> <pathway_reactome>
{Disease,Metabolism,"Gene expression (Transcription)","Cellular responses to external stimuli","DNA Repair","Neuronal System",Hemostasis,"Cell Cycle","Metabolism of proteins","Immune System","Developm
ental Biology","Vesicle-mediated transport","Signal Transduction","Diseases of metabolism","Disorders of transmembrane transporters","Metabolism of amino acids and derivatives","Metabolism of carbohyd
rates","RNA Polymerase II Transcription","Cellular responses to stress","Base Excision Repair","Infectious disease","Transmission across Chemical Synapses","Biological oxidations","Metabolism of lipid
s","Platelet activation","signaling and aggregation","Cell Cycle Checkpoints",Mitotic,"Post-translational protein modification","Diseases of signal transduction by growth factor receptors and second m
essengers","Cytokine Signaling in Immune system",Translation,"Nervous system development","Membrane Trafficking","Signaling by GPCR","Adaptive Immune System","Diseases of glycosylation","SLC transport
er disorders","Branched-chain amino acid catabolism","Glucose metabolism","Generic Transcription Pathway","Cellular response to hypoxia","Resolution of Abasic Sites (AP sites)","Leishmania infection",
"Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Platelet Aggregation (Plug For
mation)","G1/S DNA Damage Checkpoints","Mitotic G1 phase and G1/S transition","Carnitine synthesis","Asparagine N-linked glycosylation","Phospholipid metabolism","SARS-CoV Infections","M Phase","Fatty
 acid metabolism","Oncogenic MAPK signaling","Tryptophan catabolism","Signaling by Interleukins","Sphingolipid metabolism","Uptake and actions of bacterial toxins","Eukaryotic Translation Initiation",
"Signaling by NOTCH1 in Cancer","EGR2 and SOX10-mediated initiation of Schwann cell myelination","trans-Golgi Network Vesicle Budding","GPCR downstream signalling","Triglyceride metabolism","Response 
to elevated platelet cytosolic Ca2+","Class I MHC mediated antigen processing & presentation",Deubiquitination,"Diseases associated with glycosylation precursor biosynthesis","Defective HK1 causes hex
okinase deficiency (HK deficiency)",Glycolysis,"Transcriptional regulation by RUNX3","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Resolution of AP sites via the multiple
-nucleotide patch replacement pathway","Leishmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Biosynthesis of DPA-derived SPMs","Biosynth
esis of DHA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","G1/S Transition","Transcriptional regulation by RUNX2","Biosynthesis of the N-glycan precursor (dolichol lipid-linked oligosacchar
ide","LLO) and transfer to a nascent protein","Glycerophospholipid biosynthesis","SARS-CoV-2 Infection","Mitotic Metaphase and Anaphase","Arachidonic acid metabolism","Signaling by RAS mutants","Inter
leukin-1 family signaling","Transcriptional Regulation by TP53","Glycosphingolipid metabolism","Uptake and function of anthrax toxins","Cap-dependent Translation Initiation","Interleukin-12 family sig
naling","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by MECP2","Golgi Associated Vesicle Biogenesis","G alpha (i) s
ignalling events","Triglyceride catabolism","Platelet degranulation","Antigen processing-Cross presentation","Ub-specific processing proteases","Defective GALE can cause Epimerase-deficiency galactose
mia (EDG)","RUNX3 Regulates Immune Response and Cell Migration","PCNA-Dependent Long Patch Base Excision Repair","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA recepto
r activation events","Biosynthesis of DPAn-3 SPMs","Biosynthesis of D-series resolvins","p53-Dependent G1 DNA Damage Response","Activation of the pre-replicative complex","Biosynthesis of maresins","R
UNX2 regulates bone development","Synthesis of substrates in N-glycan biosythesis","Synthesis of PC","SARS-CoV-2 Genome Replication and Transcription","Mitotic Anaphase","Synthesis of Prostaglandins (
PG) and Thromboxanes (TX)","Signaling downstream of RAS mutants","Interleukin-1 signaling","Regulation of TP53 Activity","Activation of the mRNA upon binding of the cap-binding complex and eIFs","and 
subsequent binding to 43S","Interleukin-12 signaling","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","TP53 Regulates Transcription of Cell Death Genes",Xenobiotics,"TP53 Regulates Metabolic
 Genes","Regulation of MECP2 expression and activity","Visual phototransduction","Cross-presentation of particulate exogenous antigens (phagosomes)","ADORA2B mediated anti-inflammatory cytokines produ
ction","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived maresins","Stabilization of p53","RUNX2 regulates osteoblast differentiation","Synthesis of GDP-mannose","Replication o
f the SARS-CoV-2 genome","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and resolvins","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Regulation of TP53 Activity through 
Methylation","Biosynthesis of maresin-like SPMs","Translation initiation complex formation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","TP53 Regulates Transcr
iption of Caspase Activators and Caspases","CYP2E1 reactions","The phototransduction cascade","Regulation of TP53 Expression and Degradation","Autodegradation of the E3 ubiquitin ligase COP1","Initiat
ion of Nuclear Envelope (NE) Reformation",Inactivation,"recovery and regulation of the phototransduction cascade","Regulation of TP53 Degradation"}

> <broad_targets>
{ALB}

> <broad_moa>
{"cyclooxygenase inhibitor","glutathione peroxidase agonist","H+/K+-ATPase inhibitor","nitric oxide synthase inhibitor"}

> <synonyms>
{ebselen,60940-34-3,60940343,"2-Phenyl-1,2-benzisoselenazol-3(2H)-one","2Phenyl1,2benzisoselenazol3(2H)one",Ebselenum,"2-phenyl-1,2-benzoselenazol-3-one","2phenyl1,2benzoselenazol3one",Ebselene,Ebsele
no,"2-phenylbenzo(d)(1,2)selenazol-3(2H)-one","2phenylbenzo(d)(1,2)selenazol3(2H)one",SPI-1005,SPI1005,"Ebselene (French)","Ebselenum (Latin)","Ebselen (INN)",T0825,SAM001247071,Prestw-740,Ebselen,CPD
000058445}

> <pdid>
PD002767

> <targets>
{Calcium Channel,HIV,Phosphatase,Virus Protease}

> <classes>
{Anti-infection,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease,Neuronal Signaling}

> <pubchem_cids>
{3194}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 S   0  0
   -1.3164   -2.2191    0.0000 O   0  0
    1.3163   -2.2193    0.0000 O   0  0
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 N   0  0
    3.8933    3.7570    0.0000 C   0  0
    4.0312    5.2379    0.0000 S   0  0
    5.4984    5.5498    0.0000 C   0  0
    6.1085    6.9201    0.0000 C   0  0
    6.2484    4.2507    0.0000 C   0  0
    5.2447    3.1360    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12  2  1  0
 12 13  2  0
 12 14  2  0
  3 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 18  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15464

> <plate>
PLATE 003

> <well>
A10

> <supplier_cmpd_name>
Meloxicam

> <ctcr_id>
6694

> <supplier_cmpd_id>
T0826

> <smiles>
CN1C(=C(O)c2ccccc2[S]1(=O)=O)C(=O)Nc3sc(C)cn3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{meloxicam,71125-38-7,71125387,Mobic,Metacam,Movalis,Mobicox,"Meloxicam (Mobic)",Mobec,Movatec,Parocin,"Meloxicamum (Latin)","UH-AC 62XX","UHAC 62XX",Meloxicamum,UNII-VG2QF83CGL,UNIIVG2QF83CGL,UHAC-62
XX,UHAC62XX,C14H13N3O4S2,VG2QF83CGL,CHEMBL599,MLS000028587,CHEBI:6741,MFCD00868752,NCGC0,T0826,SAM002589991,Prestw-369,Meloxicam,CPD000718800}

> <pdid>
PD001257

> <targets>
{Apoptosis,Autophagy,COX}

> <classes>
{Apoptosis,Autophagy,Immunology/Inflammation}

> <pubchem_cids>
{54677470}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 19  0  0  0  0            999 V2000
   12.7985   -0.3712    0.0000 H   0  3
   10.2985   -0.3712    0.0000 Cl  0  5
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Br  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Br  0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13  6  1  0
 13 14  1  0
  4 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15465

> <plate>
PLATE 003

> <well>
A11

> <supplier_cmpd_name>
Bromhexine hydrochloride

> <ctcr_id>
5914

> <supplier_cmpd_id>
T0828

> <smiles>
[H+].[Cl-].CN(Cc1cc(Br)cc(Br)c1N)C2CCCCC2

> <pd_targets>
{HTT,CYP3A4,LMNA,RORC,TMPRSS2,ABCB11,SIGMAR1,CYP2D6,SLC6A4}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Other nuclear protein","Transcription factor",Transporter,"Membrane receptor","Cytochrome P450","Nuclear receptor",Protease,"Primary active transporter","Electrochemica
l transporter","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Serine protease","ATP-binding cassette","Cytochrome P450 family 2","SLC superfamily of solute carriers","Cytochrome P4
50 family 3A","Nuclear hormone receptor subfamily 1 group F","ABCB subfamily","Cytochrome P450 family 2D","SLC06 neurotransmitter transporter family","Cytochrome P450 3A4","Nuclear hormone receptor su
bfamily 1 group F member 3","Cytochrome P450 2D6"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Other protein targets","Cytochrome P450","Nuclear hormone receptors","Peptidases and proteinases","ATP-binding cassette transporter family","Sigma receptors","SLC supe
rfamily of solute carriers","CYP3 family","1F. Retinoic acid-related orphans","PA: Serine (S) Peptidases","ABCB subfamily","CYP2 family: drug metabolising subset","SLC6 neurotransmitter transporter fa
mily","S1: Chymotrypsin","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Cell Cycle",Disease,"Neuronal System","RNA Polymerase II Transcription","Metabolism of lipids",Mitotic,"Infectious disease","Biological oxidations","Tran
smission across Chemical Synapses","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","SARS-CoV Infections","Metabolism of steroids","Phase I - Funct
ionalization of compounds","Neurotransmitter clearance","Transcriptional Regulation by MECP2","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX3",
"SARS-CoV-1 Infection","Bile acid and bile salt metabolism","Potential therapeutics for SARS","Cytochrome P450 - arranged by substrate type","Serotonin clearance from the synaptic cleft","Regulation o
f MECP2 expression and activity","Biosynthesis of maresins","Mitotic Anaphase","RUNX3 Regulates Immune Response and Cell Migration","Attachment and Entry","Synthesis of bile acids and bile salts",Xeno
biotics,"Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","CYP2E1 reactions","Initiation of Nuclear Envelope
 (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"mucolytic agent"}

> <synonyms>
{RESTW124,SCHEMBL10704011,"N-Cyclohexyl- N-methyl-(2-amino-3,5-dibrombenzyl)-ammonium-chlorid","NCyclohexyl Nmethyl(2amino3,5dibrombenzyl)ammoniumchlorid","Bromhexine hydrochloride",611-75-6,611756,"B
romhexine HCl",Auxit,"Bromohexine hydrochloride","Bromhexine (hydrochloride)",Broncokin,Viscolyt,2,4-Dibromo-6-((cycloh,4Dibromo6((cycloh,T0828,1503107,Prestw-1246,"BROMHEXINE HYDROCHLORIDE"}

> <pdid>
PD009404

> <targets>
{Autophagy,HIV,SARS-CoV}

> <classes>
{expectorant,Anti-infection,Autophagy}

> <pubchem_cids>
{43833350,5702220}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 41 42  0  0  0  0            999 V2000
    5.1965   -1.5117    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    1.2941   -3.7520    0.0000 C   0  0
    1.2894   -5.2521    0.0000 C   0  0
   -0.0120   -5.9981    0.0000 C   0  0
   -1.3087   -5.2440    0.0000 C   0  0
   -2.6123   -5.9877    0.0000 O   0  0
   -3.9086   -5.2314    0.0000 C   0  0
   -5.2123   -5.9751    0.0000 C   0  0
   -6.5086   -5.2188    0.0000 N   0  0
   -7.8115   -5.9621    0.0000 C   0  0
   -6.5013   -3.7189    0.0000 C   0  0
   -1.3040   -3.7440    0.0000 C   0  0
   -0.0027   -2.9981    0.0000 C   0  0
   10.2915   -1.5124    0.0000 O   0  0
   10.2915   -3.0124    0.0000 C   0  0
    8.9922   -3.7620    0.0000 O   0  0
   11.5915   -3.7624    0.0000 C   0  0
   12.8915   -3.0124    0.0000 C   0  0
   14.1900   -3.7632    0.0000 O   0  0
   12.8929   -1.5115    0.0000 C   0  0
   14.1929   -0.7615    0.0000 C   0  0
   15.4914   -1.5124    0.0000 O   0  0
   14.1943    0.7385    0.0000 O   0  0
   12.8927   -4.5423    0.0000 C   0  0
   11.5940   -5.2930    0.0000 O   0  0
   14.1918   -5.2921    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  3 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 10 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 20 27  1  0
 27 28  2  0
 28 17  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
 33 39  1  0
 39 40  1  0
 39 41  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15466

> <plate>
PLATE 003

> <well>
B2

> <supplier_cmpd_name>
Tamoxifen Z-isomer citrate

> <ctcr_id>
5844

> <supplier_cmpd_id>
T0835

> <smiles>
CC/C(c1ccccc1)=C(c2ccccc2)/c3ccc(OCCN(C)C)cc3.OC(=O)CC(O)(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"RESTW 14",Tamoxan,Tamoxene,Tamoxin,Tamox,MLS001055370,"Tamoxifen citrate",54965-24-1,54965241,"54965 24 1",Istubal,"Tamoxifen (Citrate)","Tamoxifen citrate salt",UNII-7FRV7310N6,UNII7FRV7310N6,"UNII
 7FRV7310N6",C32H37NO8,"ICI 46474","ICI 46,474","Tamoxifen Citrate (Nolvadex)","54965-24-1 (citrate)","54965241 (citrate)","54965 24 1 (citrate)",7FRV7310N,T0835,180973,S1972,NSC180973,1500557,Prestw-
146,"NSC 180973
NSC 180973","Tamoxifen Z-isomer citrate","Tamoxifen Citrate","TAMOXIFEN CITRATE"}

> <pdid>

> <targets>
{Estrogen/progestogen Receptor,Apoptosis,Autophagy,Estrogen Receptor/ERR,HSP}

> <classes>
{antineoplastic,Endocrinology & Hormones,SERM,estrogen antagonist,Apoptosis,Autophagy,Cell Cycle/DNA Damage,Metabolic Enzyme/Protease,Others}

> <pubchem_cids>
{25010734,2733525}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 N   0  0
   -3.8990   -0.7455    0.0000 S   0  0
   -3.8964    0.7545    0.0000 O   0  0
   -2.5988    0.0025    0.0000 O   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -5.2034   -2.9932    0.0000 C   0  0
   -6.5040   -3.7406    0.0000 C   0  0
   -7.8015   -2.9879    0.0000 C   0  0
   -9.1020   -3.7352    0.0000 N   0  0
   -7.7984   -1.4879    0.0000 C   0  0
   -6.4978   -0.7406    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 12  1  0
  7 19  2  0
 19  3  1  0
 19 20  1  0
 20 21  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15467

> <plate>
PLATE 003

> <well>
B3

> <supplier_cmpd_name>
Sulfadoxine

> <ctcr_id>
2230

> <supplier_cmpd_id>
T0836

> <smiles>
COc1ncnc(N[S](=O)(=O)c2ccc(N)cc2)c1OC

> <pd_targets>
{PPPK-DHPS}

> <pathway_gtopdb>
{Enzyme,Transferase,Oxidoreductase}

> <pathway_chembl>
{"Other protein targets","Anti-infective targets","Antimalarial targets","Folate biosynthesis enzymes"}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"dihydropteroate synthase inhibitor"}

> <synonyms>
{SULFADOXINE,2447-57-6,2447576,Sulphadoxine,Sulforthomidine,"4-amino-N-(5,6-dimethoxypyrimidin-4-yl)benzenesulfonamide","4aminoN(5,6dimethoxypyrimidin4yl)benzenesulfonamide",Fanasil,Sulphormethoxine,S
ulfadoxin,Sulfadoxina,Sulfadoxinum,Fanzil,"Ro 4-4393","Ro 44393",Benzenesulfonamide,4-amino-N-(5,4aminoN(5,6-dimethoxy-4-pyri,6dimethoxy4pyri,T0836,Prestw-1094,Sulfadoxine}

> <pdid>
PD000200

> <targets>
{Antibiotic,HIV,Parasite}

> <classes>
{Anti-infection}

> <pubchem_cids>
{17134}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 26  0  0  1  0            999 V2000
   -2.1929   -3.7413    0.0000 C   0  0
   -0.7292   -4.0692    0.0000 C   0  0
   -0.2818   -5.5010    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0  1  0  0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  4  2  1  6
  4  5  1  0
  5  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  1  1
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 11  1  0
 17 18  1  6
 17 19  1  0
 19  8  1  0
 19 20  1  6
 20 21  1  0
 21 22  1  0
 22  4  1  0
 22  7  1  0
 22 23  1  6
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15468

> <plate>
PLATE 003

> <well>
B4

> <supplier_cmpd_name>
Pregnenolone

> <ctcr_id>
6794

> <supplier_cmpd_id>
T0851

> <smiles>
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

> <pd_targets>
{LMNA,SERPINA6,SHBG,AMPC,G6PD}

> <pathway_gtopdb>
{"Other nuclear protein","Secreted protein",Enzyme,Hydrolase,Oxidoreductase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Gene expression (Transcription)",Mitotic,"Metabolism of lipids","RNA Polymerase II Transcription","M Phase","Metabolism of steroids","Generic Transcription Pathway","Mitotic 
Metaphase and Anaphase","Metabolism of steroid hormones","Transcriptional Regulation by TP53","Mitotic Anaphase","Glucocorticoid biosynthesis","TP53 Regulates Metabolic Genes","Nuclear Envelope (NE) R
eassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SULT2B1}

> <broad_moa>
{"glutamate receptor modulator"}

> <synonyms>
{RESTW54,"RESTW 54",pregnenolone,145-13-1,145131,"145 13 1",3beta-Hydroxypregn-5-en-20-one,3betaHydroxypregn5en20one,"3beta Hydroxypregn 5 en 20 one",Arthenolone,Pregnetan,Pregneton,Pregnolon,Prenolon
,Regnosone,Skinostelon,5-Pregnen-3beta-ol-20-,5Pregnen3betaol20,S1914,Prestw-546,Pregnenolone}

> <pdid>
PD001701

> <targets>
{"Estrogen/progestogen Receptor"}

> <classes>
{"Endocrinology & Hormones"}

> <pubchem_cids>
{8955}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 19 21  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0  2  0  0  0
   -4.8896   -2.5354    0.0000 O   0  0
   -6.2433   -1.8893    0.0000 C   0  0  2  0  0  0
   -7.5587   -2.6066    0.0000 C   0  0
   -7.5961   -4.1061    0.0000 O   0  0
   -6.0471   -0.4022    0.0000 C   0  0  1  0  0  0
   -7.1349    0.6307    0.0000 O   0  0
   -4.5721   -0.1292    0.0000 C   0  0  1  0  0  0
   -3.9177    1.2205    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  2  1  0
 10  6  2  0
 11  7  1  6
 11 12  1  0
 12 13  1  0
 13 14  1  6
 14 15  1  0
 13 16  1  0
 16 17  1  1
 16 18  1  0
 18 11  1  0
 18 19  1  1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15469

> <plate>
PLATE 003

> <well>
B5

> <supplier_cmpd_name>
Adenosine

> <ctcr_id>
5206

> <supplier_cmpd_id>
T0853

> <smiles>
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O

> <pd_targets>
{AHCY,NS5B,ADCY5,DPP4,TK,KMT2A,MEN1,RXFP1,HIF1A,AMPC,HTT,MAPK1,RORC,CYP3A4,LMNA,ADORA2A,ADORA2B,SLC28A1,ADORA1,ADORA3,GAPDH,AK,SLC28A2,SLC29A1,PI4K2A,PI4K2B,STAT6,DOT1L,PI4KA,PI4KB,SLC28A3,PRKACA,PRKA
CB,PRKAR2A,PRKAR2B,MAP3K7,TRPM4,MAPT,ADK,ADOK}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Transcription factor","Unclassified protein","Other nuclear protein",Hydrolase,Transferase,Lyase,Protease,Reader,"Family A G protein-coupled recepto
r",Kinase,"Nuclear receptor","Cytochrome P450","Serine protease",Bromodomain,"Peptide receptor (family A GPCR)","Protein Kinase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Seri
ne protease SC clan","Relaxin-like peptide receptor (family A GPCR)","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Serine protease S9B subfami
ly","Relaxin receptor","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","CMGC protein kinase ERK1",Transporter,"Ion channel","Electrochem
ical transporter",Oxidoreductase,Writer,"Voltage-gated ion channel","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Protein methyltransferase","Transient receptor poten
tial channel","Nucleotide-like receptor (family A GPCR)","SLC28 and SLC29 families of nucleoside transporters","AGC protein kinase group","TKL protein kinase group","Adenosine receptor","SLC28 Na+-cou
pled nucleoside transport family","SLC29 Facilitative nucleoside transporter family","AGC protein kinase PKA family","TKL protein kinase MLK family","TKL protein kinase TAK1 subfamily","Other cytosoli
c protein"}

> <pathway_chembl>
{Enzymes,Receptors,"Adenosine turnover","Cyclic nucleotide turnover/signalling","Peptidases and proteinases","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Cytochrom
e P450","Adenylyl cyclases (ACs)","SC: Serine (S) Peptidases","Relaxin family peptide receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphans","CYP3 family","S9: 
Prolyl oligopeptidase","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily",Transporters,"Other protein targets","Ion channels","SLC superfamily of solute carriers","Glycerophospholipid t
urnover","Transcription factors","Chromatin modifying enzymes","Catalytic receptors","Voltage-gated ion channels","SLC28 and SLC29 families of nucleoside transporters","Adenosine receptors","Phosphati
dylinositol kinases","STAT transcription factors","2.1.1.43 Histone methyltransferases (HMTs)","Receptor kinases","Transient Receptor Potential channels","SLC28 family","SLC29 family","TKL: Tyrosine k
inase-like","Mixed Lineage Kinase (MLK) family","TAK1 subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Metabolism of proteins","Cellular responses to external stimuli","Gene expression (Transcription)","Immune System",Metabolism,"Cell Cycle","Diseases of metabolism","Infecti
ous disease","Transmission across Chemical Synapses","Peptide hormone metabolism","Cellular responses to stress","RNA Polymerase II Transcription","Innate Immune System","Metabolism of lipids",Mitotic
,"Metabolic disorders of biological oxidation enzymes","SARS-CoV Infections","Neurotransmitter receptors and postsynaptic signal transmission","Incretin synthesis",secretion,"and inactivation","Leishm
ania infection","Cellular response to hypoxia","Generic Transcription Pathway","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Defective AHCY cause
s Hypermethioninemia with S-adenosylhomocysteine hydrolase deficiency (HMAHCHD)","Potential therapeutics for SARS","GABA receptor activation",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GL
P-1)","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional Regulation by MECP2","Toll Like Receptor 5 (TLR5) Cascade","
Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","GABA B receptor activation","Anti-inflammatory response favouring Leishmania parasite infectio
n","Regulation of MECP2 expression and activity","MyD88 cascade initiated on plasma membrane","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Mitotic Anaphase","Activa
tion of GABAB receptors","ADORA2B mediated anti-inflammatory cytokines production","MAP kinase activation","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Adenylate cyclase inh
ibitory pathway","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated","Transport of small molecules","Sign
al Transduction","Chromatin organization","SLC-mediated transmembrane transport","Signaling by GPCR","Metabolism of carbohydrates","Chromatin modifying enzymes","Ion channel transport","Transport of v
itamins",nucleosides,"and related molecules","GPCR ligand binding","Glucose metabolism","Phospholipid metabolism","Cytosolic sensors of pathogen-associated DNA","PKMTs methylate histone lysines","Stim
uli-sensing channels","Transport of nucleosides and free purine and pyrimidine bases across the plasma membrane","Class A/1 (Rhodopsin-like receptors)",Gluconeogenesis,"PI Metabolism","STING mediated 
induction of host immune responses","Toll Like Receptor 4 (TLR4) Cascade","TRP channels","Nucleotide-like (purinergic) receptors","Synthesis of PIPs at the early endosome membrane","STAT6-mediated ind
uction of chemokines","MyD88-independent TLR4 cascade","Adenosine P1 receptors","TRIF(TICAM1)-mediated TLR4 signaling","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Activation of NMD
A receptors and postsynaptic events","Post NMDA receptor activation events","Activation of AMPK downstream of NMDARs","Metabolism of nucleotides","Nucleotide salvage","Purine salvage"}

> <broad_targets>
{ADA}

> <broad_moa>
{antiviral}

> <synonyms>
{adenosine,58-61-7,58617,Adenocard,Adenoscan,"Adenine riboside",beta-D-Adenosine,betaDAdenosine,Nucleocardyl,Adenosin,Boniton,Sandesin,Myocol,"Adenine nucleoside",Adenocor,beta-Adenosine,betaAdenosine
,9-beta-D-Ribofuranosyladenine,9betaDRibofuranosyladenine,9-beta-D-Ribofuranosidoadenine,9betaDRibofuranosidoadenine,9-beta-D-Ribofurano,9betaDRibofurano,1500107,ADENOSINE}

> <pdid>
PD002089

> <targets>
{}

> <classes>
{"cardiac depressant",antiarrhythmic}

> <pubchem_cids>
{60961}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 28  0  0  0  0            999 V2000
   11.4972    0.3758    0.0000 H   0  3
    8.9972    0.3758    0.0000 Cl  0  5
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    3.8939    0.7546    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8978   -0.7496    0.0000 C   0  0
   -5.1973   -1.4988    0.0000 F   0  0
   -3.8974    0.7504    0.0000 F   0  0
   -5.1965    0.0010    0.0000 F   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2985    3.7517    0.0000 F   0  0
   -1.2993    3.7504    0.0000 F   0  0
   -0.0007    4.5008    0.0000 F   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
  4 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 13 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15470

> <plate>
PLATE 003

> <well>
B6

> <supplier_cmpd_name>
Mefloquine hydrochloride

> <ctcr_id>
4541

> <supplier_cmpd_id>
T0860

> <smiles>
[H+].[Cl-].OC(C1CCCCN1)c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F

> <pd_targets>
{KCNH2,TSHR,PFMRK,REP,KDM4E,TP53,CYP2D6,LMNA,CYP1A2,ADORA1,ADORA2A,HTT,FFP,CYP3A4,GLRA1,CYP2C19,AMPC}

> <pathway_gtopdb>
{"Ion channel","Membrane receptor",Enzyme,"Epigenetic regulator","Transcription factor","Other nuclear protein","Unclassified protein","Voltage-gated ion channel","Family A G protein-coupled receptor"
,Kinase,Transferase,Eraser,"Cytochrome P450","Ligand-gated ion channel",Hydrolase,"Potassium channels","Peptide receptor (family A GPCR)","Protein Kinase","Lysine demethylase","Cytochrome P450 family 
2","Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Glycine receptor","Voltage-gated potassium channel","Glycohormone receptor","CMGC protein kinase gro
up","Jumonji domain-containing","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Nucleotide-like receptor (family A GPCR)","Cytochrome P450 family 3A","Cytochrome P450 family 2C","CMGC protein
 kinase CDK family","Cytochrome P450 2D6","Cytochrome P450 1A1","Adenosine receptor","Cytochrome P450 3A4","Cytochrome P450 2C19"}

> <pathway_chembl>
{"Ion channels",Receptors,"Other protein targets",Enzymes,"Voltage-gated ion channels","G protein-coupled receptors","Anti-infective targets","Chromatin modifying enzymes","Cytochrome P450","Ligand-ga
ted ion channels","Potassium channels","Glycoprotein hormone receptors","Viral protein targets","1.14.11.- Histone demethylases","CYP2 family: drug metabolising subset","CYP1 family","Adenosine recept
ors","CYP3 family","Glycine receptors","Voltage-gated potassium channels","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{"Muscle contraction",Disease,"Cell Cycle",Metabolism,"Signal Transduction","Gene expression (Transcription)","Neuronal System","Cardiac conduction","Infectious disease","Cell Cycle Checkpoints","Biol
ogical oxidations",Mitotic,"Signaling by GPCR","RNA Polymerase II Transcription","Metabolism of lipids","Transmission across Chemical Synapses","Phase 3 - rapid repolarisation","Leishmania infection",
"SARS-CoV Infections","G1/S DNA Damage Checkpoints","Phase I - Functionalization of compounds","M Phase","GPCR ligand binding","Generic Transcription Pathway","Biosynthesis of specialized proresolving
 mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania parasite growth and survival","SARS-CoV-2 Infection","p53-Dependent G1/S DNA damage checkpoint","Cytoch
rome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","SARS-CoV-1 Infection","Class A/1 (Rhodopsin-like receptors)","Transcriptional Regulation by MECP2","Biosynthesis of DHA-derive
d SPMs","Anti-inflammatory response favouring Leishmania parasite infection","SARS-CoV-2 Genome Replication and Transcription","p53-Dependent G1 DNA Damage Response",Xenobiotics,"Mitotic Anaphase","SA
RS-CoV-1 Genome Replication and Transcription","Nucleotide-like (purinergic) receptors","Regulation of MECP2 expression and activity","Biosynthesis of maresins","ADORA2B mediated anti-inflammatory cyt
okines production","Replication of the SARS-CoV-2 genome","Stabilization of p53","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Replication of the SARS-CoV-1 genome","Aromatic amines can be N-
hydroxylated or N-dealkylated by CYP1A2","Adenosine P1 receptors","Biosynthesis of maresin-like SPMs","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation
"}

> <broad_targets>
{}

> <broad_moa>
{"adenosine receptor antagonist","hemoglobin antagonist"}

> <synonyms>
{RESTW12,"Mefloquine hydrochloride",51773-92-3,51773923,"51773-92-3 (HCl)","51773923 (HCl)","Mephaquin; Racemic mefloquine; Ro 21-5998; WR 142490","Mephaquin; Racemic mefloquine; Ro 215998; WR 142490"
,"Ro 21-5998/001","Ro 215998/001",TCMDC-124288,TCMDC124288,SR-05000001820,SR05000001820,Prestwick_538,Prestwick538,Prestwick-538,"Prestwick 538",Mefloquinehydrochloride,SCHEMBL41095,MLS002154206,CHEMB
L535650,HMS1568I14,1503070,Prestw-126,MEFLOQUINE}

> <pdid>
PD010082

> <targets>
{}

> <classes>
{antimalarial}

> <pubchem_cids>
{44326656,441362,57516060}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 16 17  0  0  1  0            999 V2000
    3.9200   -5.8774    0.0000 O   0  0
    4.8054   -4.6666    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0  1  0  0  0
    2.7343   -2.9815    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0  2  0  0  0
    3.9511   -0.8815    0.0000 C   0  0  2  0  0  0
    4.2566    0.5871    0.0000 O   0  0
    4.9531   -1.9978    0.0000 C   0  0  2  0  0  0
    6.4451   -1.8434    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  3  1  0
  8  9  1  6
  5 10  1  1
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 10  1  0
 15 16  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15471

> <plate>
PLATE 003

> <well>
B7

> <supplier_cmpd_name>
Zebularine

> <ctcr_id>
8354

> <supplier_cmpd_id>
T2169

> <smiles>
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC=NC2=O

> <pd_targets>
{CDA,ADA}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{Enzymes,"Nucleotide salvage","Adenosine turnover","Pyrimidine salvage"}

> <pathway_reactome>
{Metabolism,"Metabolism of nucleotides","Nucleotide salvage","Pyrimidine salvage","Purine salvage"}

> <broad_targets>
{CDA,DNMT1}

> <broad_moa>
{"DNA methyltransferase inhibitor"}

> <synonyms>
{3690-10-6,3690106,4-Deoxyuridine,4Deoxyuridine,"Pyrimidin-2-one ribonucleoside","Pyrimidin2one ribonucleoside","Pyrimidin-2-one beta-ribofuranoside","Pyrimidin2one betaribofuranoside","Pyrimidin-2-on
e beta-D-ribofuranoside","Pyrimidin2one betaDribofuranoside","NSC 309132",CHEBI:46938,1-beta-D-ribofuranosyl-2(1H)-pyrimidinone,1betaDribofuranosyl2(1H)pyrimidinone,1-beta-D-ribofuranosylpyrimidin-2(1
H)-o,1betaDribofuranosylpyrimidin2(1H)o,2293,Zebularine}

> <pdid>
PD003711

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{100016}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -7.7926   -3.0046    0.0000 C   0  0
   -9.0904   -3.7567    0.0000 O   0  0
   -6.4923   -3.7525    0.0000 C   0  0
   -6.4900   -5.2525    0.0000 O   0  0
   -5.1945   -3.0005    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12  6  1  0
 12 13  2  0
 13  2  1  0
 10 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  2  0
 21 14  1  0
  9 22  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15472

> <plate>
PLATE 003

> <well>
B8

> <supplier_cmpd_name>
Quercetin

> <ctcr_id>
6759

> <supplier_cmpd_id>
T2174

> <smiles>
Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O

> <pd_targets>
{CDK1,THRB,KMT2A,MEN1,USP2,RECQL,TSHR,FFP,LEF,ALOX15,CYP2C9,CYP1A2,HIF1A,HSD17B10,CYP3A4,KDM4E,GAA,POLB,FTL,AMPC,PTPN1,POL,FABZ,PIK3R1,FABI,CD38,MMP13,MPO,FLT3,PLAU,AURKB,XDH,LAP3,ACHE,NA,CSNK2A1,BCHE
,CA4,CA5A,CA5B,RET,CA1,MAPK14,MAPK10,EGFR,AKR1B1,HSD17B2,PIM1,ALOX5,ALOX12,PRSS1,PRSS2,PRSS3,AXL,NUAK1,EPHX2,PIK3CG,CA2,BACE1,CYP1B1,MAPT,CYP2C19,ALDH1A1,DPP3,CA3,PLK1,CYP1A1,CSNK2A2,CSNK2B,PMP22,ALD,
STAT6,CHRM1,CYP2D6,S,ADORA1,ADORA2A,PYGL,GLO1,ALK,DAPK1,NANH,ABCG2,AKR1C21,DPP4,HIF1AN,CA12,LPO,ELANE,MGAM,MGAM2,SI,IP6K2,CYP2C8,MAOB,PDE2A,PKN1,NEK2,UREB,MAPK1,CDK6,MMP2,MMP3,GSK3B,STK33,DRD4,AKR1A1,
CDK2,CYP19A1,APP,ELAVL3,MDH,GSK3A,FABG,MMP9,F2,SORD,HPGD,NPSR1,CALM1,GLR1,CDK5,ELAVL1,CTRB1,AKT1,NFKB1,APEX1,CELA1,REP,LCK,PREP,SRC,IPMK,ATP2A1,AVPR2,IGF1R,TOP2A,KDR,CA9,MMP12,NEK6,BLM,CAMK2B,PLA2G1B,
ABCB1,UREA,AMY1A,BRAF,SYK,LMNA,MAOA,PTGS1,PTGS2,CDK5R1,DDLB,MET,GALK1,DXR,PPO2,CTRC,CA7,CA14,KDM1A,CA6,PTK2,CA13,CSNK2A3,CCND1,CDK4,CCNB1,CCNB2,CCNB3,SLC16A1,CCR4,SLC2A2,ABCC4,PSMB5,GPR35,NOS2,NT5E,SL
C16A7,CXCR1,ABCC1,ADORA3,TRPC5,NOX4,SLC2A4,NQO2,CEBPB,NR1I2}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Membrane receptor","Unclassified protein","Other cytosolic protein",Transporter,"Other nuclear protein","Ion channel",Kinase,"Nuclear receptor",R
eader,Protease,"Family A G protein-coupled receptor",Transferase,Oxidoreductase,"Cytochrome P450",Eraser,Hydrolase,Phosphatase,Lyase,"Primary active transporter",Phosphodiesterase,Isomerase,Ligase,"El
ectrochemical transporter","Voltage-gated ion channel","Protein Kinase","Nuclear hormone receptor subfamily 1",Bromodomain,"Cysteine protease","Peptide receptor (family A GPCR)","Metallo protease","Cy
tochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 3","Lysine demethylase","Protein Phosphatase","Serine protease","Aspartic protease","Small molecule receptor (family A GPCR)"
,"ATP-binding cassette","Phosphodiesterase 2","Cytochrome P450 family 19","P-type ATPase","SLC superfamily of solute carriers","Threonine protease","Transient receptor potential channel","CMGC protein
 kinase group","Nuclear hormone receptor subfamily 1 group A","Cysteine protease CA clan","Glycohormone receptor","Metallo protease MAE clan","Cytochrome P450 family 2C","Cytochrome P450 family 1A","C
ytochrome P450 family 3A","Jumonji domain-containing","Tyrosine protein phosphatase","Metallo protease MAM clan","TK protein kinase group","Serine protease PA clan","Other protein kinase group","Metal
lo protease MF clan","CAMK protein kinase group","Serine protease SC clan","Aspartic protease AA clan","Cytochrome P450 family 1B","Monoamine receptor","Cytochrome P450 family 2D","Nucleotide-like rec
eptor (family A GPCR)","TKL protein kinase group","ABCG subfamily","Phosphodiesterase 2A","AGC protein kinase group","Cytochrome P450 family 19A","Short peptide receptor (family A GPCR)","Calcium ATPa
se","ABCB subfamily","Lysine-specific demethylase","SLC16 family of monocarboxylate transporters","Chemokine receptor","SLC02 family of hexose and sugar alcohol transporters","ABCC subfamily","Threoni
ne protease PBT clan","Carboxylic acid receptor","Nuclear hormone receptor subfamily 1 group I","CMGC protein kinase CDK family","Nuclear hormone receptor subfamily 1 group A member 2","Cysteine prote
ase C19 family","Metallo protease M34 family","Cytochrome P450 2C9","Cytochrome P450 1A1","Cysteine protease C1A family","Cytochrome P450 3A4","Metallo protease M10A subfamily","Tyrosine protein kinas
e PDGFR family","Serine protease S1A subfamily","Other protein kinase AUR family","Metallo protease M17 family","Other protein kinase CK2 family","Tyrosine protein kinase Ret family","CMGC protein kin
ase MAPK family","Tyrosine protein kinase EGFR family","CAMK protein kinase PIM family","Tyrosine protein kinase Axl family","CAMK protein kinase CAMK1 family","Serine protease S33 family","Aspartic p
rotease A1A subfamily","Cytochrome P450 1B1","Cytochrome P450 2C19","Metallo protease M49 family","Other protein kinase PLK family","Acetylcholine receptor","Cytochrome P450 2D6","Adenosine receptor",
"TKL protein kinase STKR family","CAMK protein kinase DAPK family","Serine protease S9B subfamily","Cytochrome P450 2C8","AGC protein kinase PKN family","Other protein kinase NEK family","CMGC protein
 kinase GSK family","CAMK protein kinase unique family","Dopamine receptor","Cytochrome P450 19A1","Neuropeptide receptor","AGC protein kinase AKT family","Tyrosine protein kinase Src family","Serine 
protease S9A subfamily","Vasopressin and oxytocin receptor","Tyrosine protein kinase InsR family","Tyrosine protein kinase VEGFR family","CAMK protein kinase CAMK2 family","TKL protein kinase RAF fami
ly","Tyrosine protein kinase Syk family","Tyrosine protein kinase Met family","Tyrosine protein kinase Fak family","CC chemokine receptor","Threonine protease T1A subfamily","Kynurenic acid receptor",
"CXC chemokine receptor","Nuclear hormone receptor subfamily 1 group I member 2","CMGC protein kinase CDC2 subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase JNK subfamily","CAMK prot
ein kinase NuaK subfamily","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase ERK1","CMGC protein kinase CDK5 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Ion channels","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Peptidases and proteinases","G protein-coupled receptors","Eicosanoid turnove
r","Cytochrome P450","Chromatin modifying enzymes","3.2.1.- Glycosidases",Phosphatases,"Glycerophospholipid turnover","Abscisic acid receptor complex","1.-.-.- Oxidoreductases","Catalytic receptors","
Acetylcholine turnover","Carbonic anhydrases",Hydrolases,"Transcription factors","Anti-infective targets","ATP-binding cassette transporter family","Catecholamine turnover","Cyclic nucleotide turnover
/signalling","P-type ATPases","DNA topoisomerases","SLC superfamily of solute carriers","L-Arginine turnover","Adenosine turnover","Voltage-gated ion channels","NADPH oxidases","CMGC: Containing CDK",
MAPK,GSK3,"CLK families","1A. Thyroid hormone receptors","CA: Cysteine (C) Peptidases","Glycoprotein hormone receptors",Lipoxygenases,"CYP2 family: drug metabolising subset","CYP1 family","CYP3 family
","1.14.11.- Histone demethylases","Protein tyrosine phosphatases non-receptor type (PTPN)","Phosphatidylinositol kinases","MA: Metallo (M) Peptidases","Receptor kinases","PA: Serine (S) Peptidases","
MF: Metallo (M) Peptidases","CAMK: Calcium/calmodulin-dependent protein kinases","Lipid modifying kinases","AA: Aspartic (A) Peptidases","2.1.1.43 Histone methyltransferases (HMTs)","STAT transcriptio
n factors","Acetylcholine receptors (muscarinic)","Viral protein targets","Adenosine receptors","ABCG subfamily","SC: Serine (S) Peptidases",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","AGC: C
ontaining PKA",PKG,"PKC families","Dopamine receptors",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","Prostaglandin synthases","Neuropeptide S receptor","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","V
asopressin and oxytocin receptors","Phospholipase A<sub>2</sub>","ABCB subfamily","SLC16 family of monocarboxylate transporters","Chemokine receptors","SLC2 family of hexose and sugar alcohol transpor
ters","ABCC subfamily","PB: Threonine (T) Peptidases","Orphan and other 7TM receptors","Nitric oxide synthases","Transient Receptor Potential channels",Cyclooxygenase,"1I. Vitamin D receptor-like rece
ptors","Cyclin-dependent kinase (CDK) family","C19: Ubiquitin-specific protease","M10: Matrix metallopeptidase","TK: Tyrosine kinase","S1: Chymotrypsin","Other protein kinases","M17: Leucyl aminopepti
dase","Mitogen-activated protein kinases (MAP kinases)","PIM family","CAMK-like (CAMKL) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","A1: Pepsin","M49: Dipeptidyl-peptidase III","Co
ronavirus (CoV) proteins","Death-associated kinase (DAPK) family","S9: Prolyl oligopeptidase","Protein kinase N (PKN) family","Glycogen synthase kinase (GSK) family","CAMK-unique family","Akt (Protein
 kinase B","PKB) family","CAMK2 family","TKL: Tyrosine kinase-like","Class I transporters","T1: Proteasome","Class A Orphans","CDK1 subfamily","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) f
amily","Casein kinase 2 (CK2) family","p38 subfamily","JNK subfamily","NuaK subfamily","Polo-like kinase (PLK) family","NIMA (never in mitosis gene a)- related kinase (NEK) family","ERK subfamily","CD
K4 subfamily","GSK subfamily","CDK5 subfamily","Non-receptor tyrosine kinases (nRTKs)","RAF family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Type I RTKs: ErbB (epid
ermal growth factor) receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Src family","Type II RTKs: Insuli
n receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Syk family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Fak family"}

> <pathway_reactome>
{"Cell Cycle","Metabolism of proteins","Gene expression (Transcription)",Disease,Metabolism,"Cellular responses to external stimuli","DNA Repair","Vesicle-mediated transport","Immune System","Signal T
ransduction","Transport of small molecules","Developmental Biology","Neuronal System","Programmed Cell Death",Hemostasis,"Metabolism of RNA","Extracellular matrix organization",Mitotic,"Post-translati
onal protein modification","RNA Polymerase II Transcription","Infectious disease","Metabolism of lipids","Biological oxidations","Cellular responses to stress","Metabolism of amino acids and derivativ
es","Diseases of metabolism","Base Excision Repair","Membrane Trafficking","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of vitamins and cofactors","In
nate Immune System","Signaling by Receptor Tyrosine Kinases","Metabolism of nucleotides","O2/CO2 exchange in erythrocytes","Reversible hydration of carbon dioxide","Nervous system development","Cytoki
ne Signaling in Immune system","Signaling by GPCR","Amyloid fiber formation","Transmission across Chemical Synapses","Metabolism of carbohydrates","The citric acid (TCA) cycle and respiratory electron
 transport",Apoptosis,"Abacavir transport and metabolism","Peptide hormone metabolism","Platelet homeostasis","Signaling by Rho GTPases","Diseases of hemostasis","Processing of Capped Intron-Containin
g Pre-mRNA","Inositol phosphate metabolism","Degradation of the extracellular matrix","DNA Double-Strand Break Repair","Intracellular signaling by second messengers","Disorders of transmembrane transp
orters","Platelet activation","signaling and aggregation","SLC-mediated transmembrane transport","Regulation of mitotic cell cycle",SUMOylation,"Generic Transcription Pathway","Leishmania infection","
Uptake and actions of bacterial toxins","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Cellular response to hypoxia","Branched-chain amino acid
 catabolism","Diseases of carbohydrate metabolism","Resolution of Abasic Sites (AP sites)","trans-Golgi Network Vesicle Budding","Signaling by FGFR in disease","Metabolism of water-soluble vitamins an
d cofactors","ROS and RNS production in phagocytes","Signaling by Insulin receptor","Neutrophil degranulation","M Phase","Nucleobase catabolism","Phospholipid metabolism","Erythrocytes take up carbon 
dioxide and release oxygen","Axon guidance","Signaling by Interleukins","Toll-like Receptor Cascades","GPCR downstream signalling","Metabolism of steroids","FLT3 signaling in disease","Signaling by VE
GF","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic G2-G2/M phases","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Cytosolic sensors of pathogen-associate
d DNA","GPCR ligand binding","SARS-CoV Infections","Glycogen metabolism","Pyruvate metabolism and Citric Acid (TCA) cycle","Caspase activation via extrinsic apoptotic signalling pathway","Abacavir tra
nsmembrane transport","Incretin synthesis",secretion,"and inactivation","Complement cascade","Interferon Signaling","Nitric oxide stimulates guanylate cyclase","RHO GTPase Effectors","Influenza Infect
ion","Mitotic G1 phase and G1/S transition","Phase II - Conjugation of compounds","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Fructose metabolism","mRNA Splicing","
HIV Infection","Signaling by NTRKs","Synthesis of IPs in the nucleus","Platelet calcium homeostasis","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Collagen degradation","Homolog
y Directed Repair","Diseases of glycosylation","PIP3 activates AKT signaling","SLC transporter disorders","Response to elevated platelet cytosolic Ca2+","Infection with Mycobacterium tuberculosis","Fa
tty acid metabolism","Cellular hexose transport","Cellular Senescence","APC/C-mediated degradation of cell cycle proteins","SUMO E3 ligases SUMOylate target proteins","Transcriptional Regulation by TP
53","Leishmania parasite growth and survival","Uptake and function of anthrax toxins","Biosynthesis of DPA-derived SPMs","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydrox
ylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Glycogen storage diseases","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Golgi Associat
ed Vesicle Biogenesis","Transcriptional Regulation by MECP2","Signaling by FGFR1 in disease","Nicotinate metabolism","Transcriptional regulation by RUNX2","Events associated with phagocytolytic activi
ty of PMN cells","Insulin receptor signalling cascade","Mitotic Metaphase and Anaphase","Purine catabolism","Glycerophospholipid biosynthesis","RET signaling","Interleukin-12 family signaling","Toll L
ike Receptor 5 (TLR5) Cascade","G alpha (q) signalling events","Metabolism of steroid hormones","Signaling by FLT3 ITD and TKD mutants","VEGFA-VEGFR2 Pathway","PI Metabolism","Transcriptional regulati
on by RUNX1","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","G2/M Transition","STING mediated induction of host immune responses","Class A/1 (Rhodopsin-like receptors)","SA
RS-CoV-1 Infection","Glycogen breakdown (glycogenolysis)","Pyruvate metabolism","Caspase activation via Dependence Receptors in the absence of ligand",Synthesis,"and inactivation of Glucagon-like Pept
ide-1 (GLP-1)","Regulation of Complement cascade","Interferon alpha/beta signaling","Amine Oxidase reactions","cGMP effects","RHO GTPases activate PKNs","Virus Assembly and Release","Cobalamin (Cbl","
vitamin B12) transport and metabolism","G1 Phase","EPH-Ephrin signaling","Glutathione conjugation","Defective factor VIII causes hemophilia A","Fructose biosynthesis","mRNA Splicing - Major Pathway","
Interleukin-1 family signaling","Host Interactions of HIV factors","Signaling by NTRK1 (TRKA)","Reduction of cytosolic Ca++ levels","IGF1R signaling cascade","G0 and Early G1","Regulation of gene expr
ession by Hypoxia-inducible Factor","Mitotic Prophase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Semaphorin interactions","Diseases associated with glycosylation p
recursor biosynthesis","PTEN Regulation","Parasite infection","Defective SLC16A1 causes symptomatic deficiency in lactate transport (SDLT)","Defective SLC2A2 causes Fanconi-Bickel syndrome (FBS)","Pla
telet degranulation","Response of Mtb to phagocytosis","Cell recruitment (pro-inflammatory response)","Arachidonic acid metabolism","Netrin-1 signaling","Senescence-Associated Secretory Phenotype (SAS
P)","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","SUMOylation of intracellular receptors","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishman
ia parasite infection","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Biosynthesis of maresins","Glycogen storage disease type II (GAA)","PCNA-Dependent Long Patch Base Excision Repair","MECP2 regulates n
euronal receptors and channels","FGFR1 mutant receptor activation","RUNX2 regulates genes involved in cell migration","IRS-mediated signalling","Mitotic Anaphase","Synthesis of PC","Interleukin-12 sig
naling","MyD88 cascade initiated on plasma membrane","Gastrin-CREB signalling pathway via PKC and MAPK","Pregnenolone biosynthesis","Estrogen biosynthesis","STAT5 activation downstream of FLT3 ITD mut
ants","Synthesis of PIPs at the plasma membrane","Endogenous sterols","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Post NMDA receptor activation events","Ce
ntrosome maturation","STAT6-mediated induction of chemokines","Amine ligand-binding receptors","Translation of structural proteins","Nucleotide-like (purinergic) receptors","Biogenic amines are oxidat
ively deaminated to aldehydes by MAOA and MAOB","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Assembly of Viral Components at the Budding Site","Cy
clin D associated events in G1","EPH-ephrin mediated repulsion of cells","SARS-CoV-1 Genome Replication and Transcription","Defective F8 cleavage by thrombin","Biosynthesis of D-series resolvins","Int
erleukin-1 signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Signalling to ERKs","IRS-related events triggered by IGF1R","Transcription of E2F targets under negative control 
by DREAM complex","VEGFR2 mediated cell proliferation","Nuclear Envelope Breakdown","HDR through Homologous Recombination (HRR)","Acyl chain remodelling of PC","Sema4D in semaphorin signaling","Defect
ive GALK1 can cause Galactosemia II (GALCT2)","Regulation of PTEN gene transcription","Leishmania phagocytosis","Peptide ligand-binding receptors","Suppression of phagosomal maturation","Purinergic si
gnaling in leishmaniasis infection","Synthesis of Leukotrienes (LT) and Eoxins (EX)","Role of second messengers in netrin-1 signaling","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulatio
n of TP53 Expression and Degradation","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of DPAn-3-derived protectins and resolvins","CYP2E1 reactions","Aromatic amines can be N-h
ydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","Separation of Sister Chromatids","Regulation of TP53 Activity 
through Phosphorylation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","MAP kinase activation","EGFR Transactivation by Gastrin","Biosynthesis of DPAn-3-derived 
13-series resolvins","Biosynthesis of DPAn-3-derived maresins","Activation of AMPK downstream of NMDARs","Loss of proteins required for interphase microtubule organization from the centrosome","Muscar
inic acetylcholine receptors","Maturation of spike protein","Adenosine P1 receptors","Transport of HA trimer","NA tetramer and M2 tetramer from the endoplasmic reticulum to the Golgi Apparatus","Repli
cation of the SARS-CoV-1 genome","Dopamine receptors","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS si
gnaling","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Signalling to RAS","Activation of NIMA Kinases N
EK9",NEK6,NEK7,"Homologous DNA Pairing and Strand Exchange","Prolonged ERK activation events","FCGR3A-mediated IL10 synthesis","Nuclear Envelope (NE) Reassembly","Sema4D mediated inhibition of cell at
tachment and migration","FCGR3A-mediated phagocytosis","Chemokine receptors bind chemokines","Inhibition of nitric oxide production","APC:Cdc20 mediated degradation of cell cycle proteins prior to sat
isfation of the cell cycle checkpoint","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Loss of Nlp from mitotic centrosomes","Ras activation upon Ca2+ influx t
hrough NMDA receptor","Nef Mediated CD4 Down-regulation","p38MAPK events","Presynaptic phase of homologous DNA pairing and strand exchange","ARMS-mediated activation","Initiation of Nuclear Envelope (
NE) Reformation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Activation of the AP-1 family of transcription factors","APC-Cdc20 mediated degradation of Nek2A","ERK/MAPK targets","ERKs are 
inactivated"}

> <broad_targets>
{ATP5A1,ATP5B,ATP5C1,HCK,HIBCH,PIK3CG,PIM1,STK17B,UGT3A1}

> <broad_moa>
{"polar auxin transport inhibitor"}

> <synonyms>
{quercetin,117-39-5,117395,Meletin,Sophoretin,Xanthaurine,Quercetine,Quercetol,"3,3',4',5,7-Pentahydroxyflavone","3,3',4',5,7Pentahydroxyflavone",Quercitin,Quertine,"2-(3,4-Dihydroxyphenyl)-3,5,7-trih
ydroxy-4H-chromen-4-one","2(3,4Dihydroxyphenyl)3,5,7trihydroxy4Hchromen4one","Flavin meletin","3,5,7,3',4'-Pentahydroxyflavone","3,5,7,3',4'Pentahydroxyflavone",Cyanidelo,T2174,1500672,Quercetin,QUERC
ETIN}

> <pdid>
PD001643

> <targets>
{"PI 3-K",Apoptosis,Autophagy,Mitophagy,PI3K,"Reactive Oxygen Species"}

> <classes>
{antioxidant. antineoplastic,anti-HIV,LD50(mouse) 159 mg/kg po,capillary protectant,Apoptosis,Autophagy,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB,PI3K/Akt/mTOR}

> <pubchem_cids>
{5280343}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 30  0  0  0  0            999 V2000
    8.9855   -2.2574    0.0000 Cl  0  0
    6.4833   -9.7648    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 N   0  0
    3.8847   -8.2572    0.0000 C   0  0
    2.5880   -7.5031    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 Cl  0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 O   0  0
    0.0042   -5.9990    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 14  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  2  0
 29 13  1  0
 29 22  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15473

> <plate>
PLATE 003

> <well>
B9

> <supplier_cmpd_name>
Quinacrine dihydrochloride

> <ctcr_id>
6323

> <supplier_cmpd_id>
T0942

> <smiles>
Cl.CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13

> <pd_targets>
{KDM4E,MAPT,THRB,ALDH1A1,LMNA,RECQL,HBB,KMT2A,APEX1,NFO,ALD,HSD17B10,POLB,CASP7,PMP22,MEN1,TP53,GMNN,CASP1,CYP3A4,RORC,ALOX15,NPSR1,AOX1,PLA2G1B,PTGS1,PTGS2,USP2,ADRA1B,RPOA,RPOB,RPOC,RPOZ,CFTR,TPR,BC
HE,ABCB11,SCN1A,SCN2A,SCN3A,CHRM3,CHRM5,PRNP,MTOR,ADRA2C,ADRA2B,SLC6A2,CHRM4,ADRA1D,CACNA1C,CHRM1,ABCB1,ACHE,DRD3,HRH2,HTR2A,ADRA2A,CHRM2,PLA2G6,PLA2G4A,PLCL1,GNAI1,RGS12,HIF1A,BRCA1,NFKB1,CYP2D6,CYP1
A2,THPO,LEF,TSHR}

> <pathway_gtopdb>
{"Epigenetic regulator","Other cytosolic protein","Transcription factor",Enzyme,"Other nuclear protein","Secreted protein","Unclassified protein","Membrane receptor","Ion channel",Transporter,"Surface
 antigen",Eraser,"Nuclear receptor",Oxidoreductase,Reader,Hydrolase,Protease,"Cytochrome P450","Family A G protein-coupled receptor",Transferase,"Other ion channel","Primary active transporter","Volta
ge-gated ion channel",Kinase,"Electrochemical transporter","Lysine demethylase","Nuclear hormone receptor subfamily 1",Bromodomain,"Cysteine protease","Cytochrome P450 family 3","Peptide receptor (fam
ily A GPCR)","Small molecule receptor (family A GPCR)","Chloride channel","ATP-binding cassette","Voltage-gated sodium channel","Protein Kinase","SLC superfamily of solute carriers","Voltage-gated cal
cium channel","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group A","Cysteine protease CD clan","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","Short p
eptide receptor (family A GPCR)","Cysteine protease CA clan","Monoamine receptor","Cystic fibrosis transmembrane conductance regulator","ABCB subfamily","Atypical protein kinase group","SLC06 neurotra
nsmitter transporter family","Nuclear hormone receptor subfamily 1 group A member 2","Cysteine protease C14 family","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F member 3","Neuro
peptide receptor","Cysteine protease C19 family","Adrenergic receptor","Acetylcholine receptor","Atypical protein kinase PIKK family","Dopamine receptor","Histamine receptor","Serotonin receptor","Aty
pical protein kinase FRAP subfamily","Cytochrome P450 family 2","Cytochrome P450 family 1","Metallo protease","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Metallo protease MAE clan","Glyco
hormone receptor","Cytochrome P450 2D6","Cytochrome P450 1A1","Metallo protease M34 family"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels",Transporters,"Chromatin modifying enzymes","Nuclear hormone receptors","Peptidases and proteinases","Cytochrome P450","Eicosanoid turnover","G protein-coupled recepto
rs","Glycerophospholipid turnover","Other ion channels","Acetylcholine turnover","ATP-binding cassette transporter family","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","Voltage-gated io
n channels","1.14.11.- Histone demethylases","1A. Thyroid hormone receptors","2.1.1.43 Histone methyltransferases (HMTs)","CD: Cysteine (C) Peptidases","CYP3 family","1F. Retinoic acid-related orphans
",Lipoxygenases,"Neuropeptide S receptor","Phospholipase A<sub>2</sub>","CA: Cysteine (C) Peptidases",Adrenoceptors,"Chloride channels","ABCB subfamily","Acetylcholine receptors (muscarinic)",Atypical
,"SLC6 neurotransmitter transporter family","Voltage-gated calcium channels","Dopamine receptors","Histamine receptors","5-Hydroxytryptamine receptors","C14: Caspase","C19: Ubiquitin-specific protease
",CFTR,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Monoamine transporter subfamily","FRAP subfamily","CYP2 family: drug metabolising subset","CYP1 family","Glycoprotein hormone re
ceptors"}

> <pathway_reactome>
{"Neuronal System","Metabolism of proteins",Metabolism,"Cell Cycle","Immune System","Gene expression (Transcription)","DNA Repair","Programmed Cell Death","Developmental Biology",Disease,"Signal Trans
duction",Autophagy,"Transmission across Chemical Synapses","Post-translational protein modification","Biological oxidations",Mitotic,"Innate Immune System","RNA Polymerase II Transcription","Base Exci
sion Repair","Metabolism of amino acids and derivatives",Apoptosis,"Nervous system development","Cell Cycle Checkpoints","Metabolism of lipids","Infectious disease","Metabolism of vitamins and cofacto
rs","Signaling by GPCR",Macroautophagy,"Disorders of transmembrane transporters","Abacavir transport and metabolism","Neurotransmitter receptors and postsynaptic signal transmission",SUMOylation,"Phas
e I - Functionalization of compounds","M Phase","Neutrophil degranulation","Generic Transcription Pathway","Resolution of Abasic Sites (AP sites)","Branched-chain amino acid catabolism","Intrinsic Pat
hway for Apoptosis","EGR2 and SOX10-mediated initiation of Schwann cell myelination","G1/S DNA Damage Checkpoints","Mitotic G1 phase and G1/S transition","Biosynthesis of specialized proresolving medi
ators (SPMs)","Leishmania infection","Metabolism of water-soluble vitamins and cofactors","Phospholipid metabolism","GPCR ligand binding","Selective autophagy","Metabolism of steroids","Axon guidance"
,"SLC transporter disorders","Abacavir transmembrane transport","GPCR downstream signalling","Activation of NMDA receptors and postsynaptic events","SUMO E3 ligases SUMOylate target proteins","Ethanol
 oxidation","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX1","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Apoptotic factor-mediated response","
p53-Dependent G1/S DNA damage checkpoint","G1/S Transition","Transcriptional Regulation by TP53","Biosynthesis of DHA-derived SPMs","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived S
PMs","Leishmania parasite growth and survival","Vitamins B6 activation to pyridoxal phosphate","Glycerophospholipid biosynthesis","Class A/1 (Rhodopsin-like receptors)",Aggrephagy,"Bile acid and bile 
salt metabolism","NCAM signaling for neurite out-growth","Defective SLC6A2 causes orthostatic intolerance (OI)","G alpha (i) signalling events","Post NMDA receptor activation events","SUMOylation of i
ntracellular receptors","Mitotic Anaphase","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","PCNA-Dependent Long Patch Base Excision Repair","Cytochrome c-mediat
ed apoptotic response","p53-Dependent G1 DNA Damage Response","Activation of the pre-replicative complex","TP53 Regulates Transcription of Cell Death Genes","Biosynthesis of maresins","RUNX3 Regulates
 Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Anti-inflammatory response favouring Leishmania parasite infection","Acyl chain remodelling of PC","Regulation of TP53 Activity","Am
ine ligand-binding receptors","Synthesis of PC","Synthesis of bile acids and bile salts","NCAM1 interactions","Acyl chain remodeling of CL","Opioid Signalling","Activation of AMPK downstream of NMDARs
","Nuclear Envelope (NE) Reassembly","Activation of caspases through apoptosome-mediated cleavage","Stabilization of p53","TP53 Regulates Transcription of Caspase Activators and Caspases","Biosynthesi
s of maresin-like SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation",Adrenoceptor
s,"Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Muscarinic acetylcholine receptors","Dopamine receptors","Serotonin receptors","G-protein mediated events","Initiation of Nucl
ear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","PLC beta mediated events","Ca-dependent events","phospho-PLA2 pathway","Cellular resp
onses to external stimuli",Hemostasis,"Cellular responses to stress","DNA Double-Strand Break Repair","Cytokine Signaling in Immune system","Platelet activation","signaling and aggregation","Cellular 
response to hypoxia","Homology Directed Repair","Signaling by Interleukins","Platelet Aggregation (Plug Formation)","Uptake and actions of bacterial toxins","Oxygen-dependent proline hydroxylation of 
Hypoxia-inducible Factor Alpha","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Interleukin-1 family signaling","Cytochrome P450 - arranged by substrate type","Uptake an
d function of anthrax toxins","HDR through Homologous Recombination (HRR)","Interleukin-1 signaling",Xenobiotics,"Homologous DNA Pairing and Strand Exchange","MAP3K8 (TPL2)-dependent MAPK1/3 activatio
n","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{PLA2G1B}

> <broad_moa>
{"cytokine production inhibitor","NFkB pathway inhibitor","TP53 activator"}

> <synonyms>
{"Quinacrine hydrochloride",130-42-7,130427,"130 42 7","Mepacrine hydrochloride",Chemiochin,Malaricida,Methoquine,Atebrine,Crinodora,Italchin,Metochin,Metoquin,Metoquine,Palacrin,Palusan,Pentilen,Mecr
yl,"Atabrine hydrochloride",NSC14229,"Atebrin hydrochloride",Chi,T0942,14229,"NSC 14229
NSC 14229","Quinacrine dihydrochloride",Mepacrine}

> <pdid>
PD009806

> <targets>
{}

> <classes>
{"PLA2 inhibitor"}

> <pubchem_cids>
{5351141,92032232}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 20  0  0  0  0            999 V2000
    4.1718    0.3758    0.0000 N   0  0
    3.1497   -0.7220    0.0000 C   0  0
    3.5898   -2.1560    0.0000 O   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18  4  1  0
 18 13  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15474

> <plate>
PLATE 003

> <well>
B10

> <supplier_cmpd_name>
Carbamazepine

> <ctcr_id>
1568

> <supplier_cmpd_id>
T0943

> <smiles>
NC(=O)N1c2ccccc2C=Cc3ccccc13

> <pd_targets>
{TSHR,ALB,FZD8,SCN9A,LMNA,SCN4A,SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN5A,SCN7A,SCN8A,NR1I2}

> <pathway_gtopdb>
{"Membrane receptor","Secreted protein","Ion channel","Other nuclear protein","Transcription factor","Family A G protein-coupled receptor","Frizzled family G protein-coupled receptor","Voltage-gated i
on channel","Nuclear receptor","Peptide receptor (family A GPCR)","Voltage-gated sodium channel","Nuclear hormone receptor subfamily 1","Glycohormone receptor","Nuclear hormone receptor subfamily 1 gr
oup I","Nuclear hormone receptor subfamily 1 group I member 2"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Voltage-gated ion channels","Nuclear hormone receptors","Glycoprotein hormone receptors","Class Frizzled GPCRs","Voltage-gated sodium channels"
,"1I. Vitamin D receptor-like receptors"}

> <pathway_reactome>
{Disease,Metabolism,"Signal Transduction","Developmental Biology","Cell Cycle","Metabolism of proteins","Infectious disease","Metabolism of lipids","Signaling by WNT","Nervous system development",Mito
tic,"Post-translational protein modification","Leishmania infection","Metabolism of steroids","Beta-catenin independent WNT signaling","Axon guidance","M Phase",SUMOylation,"Leishmania parasite growth
 and survival","Bile acid and bile salt metabolism","PCP/CE pathway","L1CAM interactions","Mitotic Metaphase and Anaphase","SUMO E3 ligases SUMOylate target proteins","Anti-inflammatory response favou
ring Leishmania parasite infection","Recycling of bile acids and salts","Asymmetric localization of PCP proteins","Interaction between L1 and Ankyrins","Mitotic Anaphase","SUMOylation of intracellular
 receptors","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SCN10A,SCN11A,SCN1A,SCN2A,SCN3A,SCN4A,SCN5A,SCN7A,SCN8A,SCN9A}

> <broad_moa>
{"carboxamide antiepileptic"}

> <synonyms>
{carbamazepine,298-46-4,298464,Tegretol,Carbamazepen,"5H-Dibenzo(b,f)azepine-5-carboxamide","5HDibenzo(b,f)azepine5carboxamide",Carbazepine,Finlepsin,Biston,Equetro,"5H-Dibenz(b,f)azepine-5-carboxamid
e","5HDibenz(b,f)azepine5carboxamide",Carbamezepine,Tegretal,Epitol,Karbamazepin,Carbatrol,Neurotol,Timonil,Carbamazepin,T0943,SAM002264603,1500159,Prestw-52,Carbamazepine,CPD001227191,CARBAMAZEPINE}

> <pdid>
PD002445

> <targets>
{}

> <classes>
{analgesic,anticonvulsant}

> <pubchem_cids>
{2554}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 34  0  0  1  0            999 V2000
    2.2703   -4.0022    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0  2  0  0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    0.5000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
   -0.6870   -2.7320    0.0000 O   0  0
    0.7500   -4.3800    0.0000 C   0  0
    2.2230   -4.6635    0.0000 O   0  0
   -0.2322   -5.5148    0.0000 C   0  0
    0.2586   -6.9331    0.0000 O   0  0
   -0.7235   -8.0679    0.0000 C   0  0
   -2.1965   -7.7844    0.0000 C   0  0
   -0.2330   -9.4854    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14  8  1  0
 14 15  1  6
 14 16  1  0
 16  5  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  0
 21  4  1  0
 21 22  1  6
 21 23  1  0
 23  2  1  0
 23 24  1  1
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15475

> <plate>
PLATE 003

> <well>
B11

> <supplier_cmpd_name>
Dexamethason acetate

> <ctcr_id>
1443

> <supplier_cmpd_id>
T0947

> <smiles>
C[C@@H]1CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O

> <pd_targets>
{HIF1A,NR1I2,NR3C1,ANXA1,NOS2,NR0B1}

> <pathway_gtopdb>
{"Transcription factor","Ion channel",Enzyme,"Nuclear receptor","Other ion channel","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 3",Annexin,"Nuclear hormone receptor subf
amily 0","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 0 group B","Nuclear hormone receptor subfamily 1 group I memb
er 2","Nuclear hormone receptor subfamily 3 group C member 1","Nuclear hormone receptor subfamily 0 group B member 1"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","L-Arginine turnover","1I. Vitamin D receptor-like receptors","Steroid hormone receptors","Nitric oxide synthases","0B. DAX-like receptors","3C. 3-Ketost
eroid receptors"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Metabolism of proteins","Gene expression (Transcription)","Signal Transduction",Disease,"Cellular responses to stress","Post-translational protein modificati
on","RNA Polymerase II Transcription","Signaling by GPCR","Infectious disease","Cellular response to hypoxia",SUMOylation,"Generic Transcription Pathway","GPCR ligand binding","Infection with Mycobact
erium tuberculosis","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","SUMO E3 ligases SUMOylate target proteins","FOXO-mediated transcription","Class A/1 (Rhodopsin-like rece
ptors)","Response of Mtb to phagocytosis","Nuclear Receptor transcription pathway","SUMOylation of intracellular receptors","FOXO-mediated transcription of oxidative stress","metabolic and neuronal ge
nes","Peptide ligand-binding receptors","Suppression of phagosomal maturation","Formyl peptide receptors bind formyl peptides and many other ligands","Inhibition of nitric oxide production"}

> <broad_targets>
{}

> <broad_moa>
{"glucocorticoid receptor agonist"}

> <synonyms>
{Dexamethasone-21-acetate,Dexamethasone21acetate,1177-87-3,1177873,Dexamethasone21-acetate,Spectrum_000900,Spectrum000900,Spectrum-000900,"Spectrum 000900",Spectrum2_001031,Spectrum2001031,Spectrum2-0
01031,"Spectrum2 001031",Spectrum3_000380,Spectrum3000380,Spectrum3-000380,"Spectrum3 000380",Spectrum4_000501,Spectrum4000501,Spectrum4-000501,"Spectrum4 000501",Spectrum5_000835,Spectrum5000835,Spec
trum5-000835,"Spectrum5 000835",BSPBio_002139,BSPBio002139,BSPBio-002139,"BSPBio 002139",KBioGR_001041,KBioGR001041,KBioGR-001041,"KBioGR 001041",KBioSS_001380,KBioSS001380,KBioSS-001380,"KBioSS 00138
0",DivK1c_000865,DivK1c000865,DivK1c-000865,"DivK1c 000865",SPECTRUM1500231,SPBio_001241,SPBio001241,SPBio-001241,"SPBio 001241",SCH,T0947,1500231,"Dexamethason acetate","DEXAMETHASONE ACETATE"}

> <pdid>
PD000314

> <targets>
{}

> <classes>
{glucocorticoid,antiinflammatory}

> <pubchem_cids>
{5702036}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

123135  0  0  1  0            999 V2000
    7.3451    8.5526    0.0000 C   0  0
    7.3433    7.0526    0.0000 C   0  0
    8.6417    6.2999    0.0000 C   0  0  2  0  0  0
    9.9419    7.0479    0.0000 C   0  0
    8.6400    4.8000    0.0000 C   0  0  1  0  0  0
    7.4100    4.0000    0.0000 O   0  0
    7.4100    2.4100    0.0000 C   0  0  2  0  0  0
    7.4100    0.7000    0.0000 C   0  0
    6.1800    0.0000    0.0000 C   0  0  2  0  0  0
    4.9400    0.7000    0.0000 C   0  0
    4.9400    2.4100    0.0000 C   0  0  1  0  0  0
    3.7100    3.2100    0.0000 C   0  0
    2.4800    2.4100    0.0000 C   0  0
    1.2500    3.2100    0.0000 C   0  0
    1.2500    4.7100    0.0000 C   0  0
    0.0200    2.4100    0.0000 C   0  0  1  0  0  0
   -1.2647    3.1854    0.0000 O   0  0
   -1.2351    4.6859    0.0000 C   0  0  1  0  0  0
   -2.5181    5.4633    0.0000 C   0  0
   -2.4864    6.9630    0.0000 C   0  0  2  0  0  0
   -3.7717    7.7380    0.0000 O   0  0
   -5.0852    7.0137    0.0000 C   0  0
   -1.1719    7.6854    0.0000 C   0  0  1  0  0  0
   -1.1433    9.1860    0.0000 O   0  0
   -2.4280    9.9618    0.0000 C   0  0  1  0  0  0
   -2.4016   11.4616    0.0000 C   0  0
   -3.6873   12.2344    0.0000 C   0  0  2  0  0  0
   -3.6577   13.7349    0.0000 O   0  0
   -2.3446   14.4600    0.0000 C   0  0
   -4.9993   11.5074    0.0000 C   0  0  1  0  0  0
   -6.2849   12.2802    0.0000 O   0  0
   -5.0258   10.0076    0.0000 C   0  0  2  0  0  0
   -6.3378    9.2807    0.0000 C   0  0
   -3.7402    9.2348    0.0000 O   0  0
    0.1111    6.9081    0.0000 C   0  0  2  0  0  0
    1.4256    7.6306    0.0000 C   0  0
    0.0794    5.4085    0.0000 O   0  0
    0.0200    0.7000    0.0000 C   0  0  1  0  0  0
   -1.2767   -0.0540    0.0000 C   0  0
    1.2500    0.0000    0.0000 C   0  0
    1.2500   -1.6800    0.0000 C   0  0
    2.4800   -2.4800    0.0000 C   0  0
    2.4800   -4.1900    0.0000 C   0  0
    1.2500   -4.9900    0.0000 C   0  0
    1.2500   -6.5900    0.0000 O   0  0
    3.7100   -6.5900    0.0000 C   0  0  2  0  0  0
    4.9400   -7.5000    0.0000 C   0  0  2  0  0  0
    4.9371   -9.0000    0.0000 O   0  0
    6.1800   -6.5900    0.0000 C   0  0
    6.1800   -4.9900    0.0000 C   0  0
    4.9400   -4.1900    0.0000 C   0  0  1  0  0  0
    4.9400   -2.4800    0.0000 C   0  0
    3.6228   -1.7623    0.0000 O   0  0
    6.1800   -1.6800    0.0000 O   0  0
    3.7100   -4.9900    0.0000 C   0  0  2  0  0  0
    3.7100   -3.4900    0.0000 O   0  0
    7.5181   -7.2678    0.0000 C   0  0
    6.1800    3.2100    0.0000 O   0  0
    8.6400    1.6100    0.0000 C   0  0
    9.8600    2.4100    0.0000 C   0  0
    9.8600    4.0000    0.0000 C   0  0  2  0  0  0
   11.1798    4.7128    0.0000 C   0  0
   13.6805    8.1405    0.0000 C   0  0
   13.7048    9.6403    0.0000 O   0  0
   15.0161   10.3704    0.0000 C   0  0  1  0  0  0
   16.3017    9.5976    0.0000 C   0  0
   17.6139   10.3246    0.0000 C   0  0  2  0  0  0
   18.8986    9.5487    0.0000 O   0  0
   18.8700    8.0482    0.0000 C   0  0  1  0  0  0
   20.1530    7.2709    0.0000 C   0  0  2  0  0  0
   21.4676    7.9933    0.0000 C   0  0
   20.1213    5.7713    0.0000 O   0  0
   18.8068    5.0487    0.0000 C   0  0  2  0  0  0
   17.5238    5.8261    0.0000 C   0  0
   17.5555    7.3257    0.0000 C   0  0  2  0  0  0
   16.2702    8.1008    0.0000 O   0  0
   14.9567    7.3764    0.0000 C   0  0
   18.7772    3.5482    0.0000 O   0  0
   20.0619    2.7728    0.0000 C   0  0  1  0  0  0
   20.0619    1.0628    0.0000 C   0  0  1  0  0  0
   18.7652    0.3087    0.0000 C   0  0
   21.2919    0.3628    0.0000 C   0  0
   21.2919   -1.3172    0.0000 C   0  0
   22.5219   -2.1172    0.0000 C   0  0
   22.5219   -3.8272    0.0000 C   0  0
   21.2919   -4.6272    0.0000 C   0  0
   21.2919   -6.2272    0.0000 O   0  0
   23.7519   -6.2272    0.0000 C   0  0  2  0  0  0
   24.9819   -7.1372    0.0000 C   0  0  2  0  0  0
   24.9790   -8.6372    0.0000 O   0  0
   26.2219   -6.2272    0.0000 C   0  0
   26.2219   -4.6272    0.0000 C   0  0
   24.9819   -3.8272    0.0000 C   0  0  1  0  0  0
   24.9819   -2.1172    0.0000 C   0  0
   23.6648   -1.3995    0.0000 O   0  0
   26.2219   -1.3172    0.0000 O   0  0
   26.2219    0.3628    0.0000 C   0  0  1  0  0  0
   24.9819    1.0628    0.0000 C   0  0
   24.9819    2.7728    0.0000 C   0  0  1  0  0  0
   23.7519    3.5728    0.0000 C   0  0
   22.5219    2.7728    0.0000 C   0  0
   21.2919    3.5728    0.0000 C   0  0
   21.2919    5.0728    0.0000 C   0  0
   26.2219    3.5728    0.0000 O   0  0
   27.4519    2.7728    0.0000 C   0  0  1  0  0  0
   27.4519    1.0628    0.0000 C   0  0
   27.4519    4.3628    0.0000 O   0  0
   28.6819    5.1628    0.0000 C   0  0  2  0  0  0
   28.6836    6.6626    0.0000 C   0  0
   27.3860    7.4150    0.0000 C   0  0
   29.9838    7.4107    0.0000 C   0  0
   29.9019    4.3628    0.0000 C   0  0  1  0  0  0
   31.2217    5.0756    0.0000 C   0  0
   29.9019    2.7728    0.0000 C   0  0
   28.6819    1.9728    0.0000 C   0  0
   23.7519   -4.6272    0.0000 C   0  0  2  0  0  0
   23.7519   -3.1272    0.0000 O   0  0
   27.5600   -6.9050    0.0000 C   0  0
   17.6402   11.8243    0.0000 O   0  0
   16.3546   12.5971    0.0000 C   0  0  1  0  0  0
   16.3811   14.0969    0.0000 C   0  0
   15.0426   11.8702    0.0000 C   0  0  2  0  0  0
   13.7570   12.6430    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  6
  7  6  1  6
  7  8  1  0
  9  8  1  1
  9 10  1  0
 11 10  1  1
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  6
 18 17  1  1
 18 19  1  0
 19 20  1  0
 20 21  1  6
 21 22  1  0
 20 23  1  0
 23 24  1  1
 25 24  1  6
 25 26  1  0
 26 27  1  0
 27 28  1  1
 28 29  1  0
 27 30  1  0
 30 31  1  6
 30 32  1  0
 32 33  1  1
 32 34  1  0
 34 25  1  0
 23 35  1  0
 35 36  1  6
 35 37  1  0
 37 18  1  0
 16 38  1  0
 38 39  1  6
 38 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  1  0
 46 45  1  1
 46 47  1  0
 47 48  1  1
 47 49  1  0
 49 50  2  3
 51 50  1  6
 51 52  1  0
 52 53  2  0
 52 54  1  0
 54  9  1  0
 51 55  1  0
 55 43  1  0
 55 46  1  0
 55 56  1  6
 49 57  1  0
 11 58  1  0
 58  7  1  0
  7 59  1  0
 59 60  2  3
 60 61  1  0
 61  5  1  0
 61 62  1  1
 63 64  1  0
 65 64  1  6
 65 66  1  0
 66 67  1  0
 67 68  1  1
 69 68  1  1
 69 70  1  0
 70 71  1  6
 70 72  1  0
 72 73  1  0
 73 74  1  0
 74 75  1  0
 75 69  1  0
 75 76  1  6
 76 77  1  0
 73 78  1  1
 79 78  1  6
 79 80  1  0
 80 81  1  6
 80 82  1  0
 82 83  2  0
 83 84  1  0
 84 85  2  0
 85 86  1  0
 86 87  1  0
 88 87  1  1
 88 89  1  0
 89 90  1  1
 89 91  1  0
 91 92  2  3
 93 92  1  6
 93 94  1  0
 94 95  2  0
 94 96  1  0
 97 96  1  1
 97 98  1  0
 99 98  1  1
 99100  1  0
100101  1  0
101102  2  0
102 79  1  0
102103  1  0
 99104  1  0
105104  1  1
105106  1  0
106 97  1  0
105107  1  0
107108  1  0
108109  1  6
109110  1  0
109111  1  0
108112  1  0
112113  1  1
112114  1  0
114115  2  3
115105  1  0
 93116  1  0
116 85  1  0
116 88  1  0
116117  1  6
 91118  1  0
 67119  1  0
119120  1  0
120121  1  6
120122  1  0
122 65  1  0
122123  1  1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15476

> <plate>
PLATE 003

> <well>
C2

> <supplier_cmpd_name>
Abamectin

> <ctcr_id>
15277

> <supplier_cmpd_id>
T0956

> <smiles>
CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=
C[C@@H]1C.CO[C@H]8C[C@H](O[C@H]9[C@H](C)O[C@H](C[C@@H]9OC)O[C@H]%10[C@@H](C)\C=C\C=C\%11/CO[C@@H]%12[C@H](O)C(=C[C@@H](C(=O)O[C@H]%13C[C@@H](C\C=C\%10/C)O[C@@]%14(C%13)O[C@H](C(C)C)[C@@H](C)C=C%14)[C@
]%11%12O)C)O[C@@H](C)[C@@H]8O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Abamectin,"Avermectin B1a-Avermectin B1b mixt.",HY-15311,"Avermectin B1","Avermectin B1"}

> <pdid>
PD036188

> <targets>
{Antibiotic,Autophagy,Parasite}

> <classes>
{Anti-infection,Autophagy}

> <pubchem_cids>
.

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    6.4971   -0.7566    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 N   0  0
    3.8919   -5.2525    0.0000 C   0  0
    1.2971   -3.7515    0.0000 C   0  0
    0.4310   -3.2517    0.0000 O   0  0
    1.2969   -5.2523    0.0000 O   0  0
   -0.0025   -6.0034    0.0000 C   0  0
   -0.0026   -7.5034    0.0000 C   0  0
   -1.3016   -5.2537    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 O   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8984    0.7484    0.0000 C   0  0
    5.1974    1.4985    0.0000 O   0  0
    2.5988    1.4990    0.0000 O   0  0
    2.5982    2.9990    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  2  1  0
  6  8  1  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
  4 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  1  0
 22 23  2  3
 23 19  1  0
 23 15  1  0
  3 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15477

> <plate>
PLATE 003

> <well>
C3

> <supplier_cmpd_name>
Isradipine

> <ctcr_id>
5944

> <supplier_cmpd_id>
T0957

> <smiles>
CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC3=NON=C32)C(=O)OC

> <pd_targets>
{CACNA1F,CYP2C19,CYP3A4,CYP2C9,CACNA1C,ALOX15,CYP1A2,KMT2A,MEN1,CACNA1D,LEF,CYP2D6,CYP2C8,ABCB11,CACNA1S,CACNA2D1,CACNB2,CACNA1H,CACNA2D2}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Epigenetic regulator",Transporter,"Auxiliary transport protein","Voltage-gated ion channel","Cytochrome P450",Oxidoreductase,Reader,Protease,"Primary active transporter","Calciu
m channel auxiliary subunit alpha2delta family","Calcium channel auxiliary subunit beta family","Voltage-gated calcium channel","Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 f
amily 1",Bromodomain,"Metallo protease","ATP-binding cassette","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Metallo protease MAE clan","Cytochrome P450 family 2
D","ABCB subfamily","Cytochrome P450 2C19","Cytochrome P450 3A4","Cytochrome P450 2C9","Cytochrome P450 1A1","Metallo protease M34 family","Cytochrome P450 2D6","Cytochrome P450 2C8"}

> <pathway_chembl>
{"Ion channels",Enzymes,Transporters,"Voltage-gated ion channels","Cytochrome P450","Eicosanoid turnover","ATP-binding cassette transporter family","Voltage-gated calcium channels","CYP2 family: drug 
metabolising subset","CYP3 family",Lipoxygenases,"CYP1 family","ABCB subfamily"}

> <pathway_reactome>
{Metabolism,"Developmental Biology",Disease,"Biological oxidations","Metabolism of lipids","Nervous system development","Infectious disease","Integration of energy metabolism","Phase I - Functionaliza
tion of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Axon guidance","Uptake and actions of bacterial toxins","Metabolism of steroids","Regulation of insulin secretion","Cyto
chrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","NCAM signaling for neurite out-growth","Biosynthesis of DPA-derived SPMs","Uptake and function of anthrax toxins","Bile ac
id and bile salt metabolism",Adrenaline,"noradrenaline inhibits insulin secretion",Xenobiotics,"Biosynthesis of maresins","NCAM1 interactions","Biosynthesis of DPAn-3 SPMs","Synthesis of bile acids an
d bile salts","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Synth
esis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{CACNA1D,CACNA1F,CACNA2D1}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{KBio2_005834,KBio2005834,KBio2-005834,"KBio2 005834",isradipine,75695-93-1,75695931,DynaCirc,Isradipin,Lomir,Isrodipine,Prescal,Esradin,"Dynacirc CR",Clivoten,Dynacrine,"Isradipinum (Latin)","PN 200-
110","PN 200110","Isradipino (Spanish)",Rebriden,(+-)-Isradipine,(+)Isradipine,DynaCire,PN-200-110,PN200110,"DynaCire CR",(+/-)-I,(+/)I,SAM001246584,CPD000466320}

> <pdid>
PD010132

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3784}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -3.9027    5.2517    0.0000 N   0  0
   -5.2032    5.9990    0.0000 C   0  0
   -6.5007    5.2464    0.0000 C   0  0
   -6.4977    3.7464    0.0000 C   0  0
   -5.1971    2.9990    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15478

> <plate>
PLATE 003

> <well>
C4

> <supplier_cmpd_name>
Sulfadiazine

> <ctcr_id>
5990

> <supplier_cmpd_id>
T0930

> <smiles>
Nc1ccc(cc1)[S](=O)(=O)Nc2ncccn2

> <pd_targets>
{CA2,LMNA,TSHR,AURKA,CA1,CA6,FOLP}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Membrane receptor",Lyase,"Family A G protein-coupled receptor",Kinase,Transferase,"Peptide receptor (family A GPCR)","Protein Kinase","Glycohormone receptor","Other pr
otein kinase group","Other protein kinase AUR family"}

> <pathway_chembl>
{Enzymes,Receptors,"Carbonic anhydrases","G protein-coupled receptors","Catalytic receptors","Glycoprotein hormone receptors","Receptor kinases","Other protein kinases","Aurora kinase (Aur) family"}

> <pathway_reactome>
{"Transport of small molecules","Cell Cycle",Disease,"Gene expression (Transcription)","Immune System",Metabolism,"O2/CO2 exchange in erythrocytes",Mitotic,"Infectious disease","RNA Polymerase II Tran
scription","Cytokine Signaling in Immune system","Reversible hydration of carbon dioxide","Erythrocytes take up carbon dioxide and release oxygen","M Phase","Leishmania infection","Generic Transcripti
on Pathway","Signaling by Interleukins","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Transcriptional Regulation by TP53","Interleukin-12 family signaling","Mitotic Anaph
ase","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of TP53 Activity","Interleukin-12 signaling","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammator
y cytokines production","Regulation of TP53 Activity through Phosphorylation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Initiation of Nuclear Envelope (NE) 
Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial antifolate"}

> <synonyms>
{sulfadiazine,68-35-9,68359,Sulphadiazine,Sulfapyrimidine,Sulfadiazin,Adiazine,Sulfazine,Sulfadiazene,Adiazin,Debenal,Liquadiazine,Sulfapyrimidin,Pyrimal,2-Sulfanilamidopyrimidine,2Sulfanilamidopyrimi
dine,Cremodiazine,Spofadrizine,Theradiazine,Cremotres,Deltazina,Diazolone,T0930,1500546,Prestw-23,Sulfadiazine,SULFADIAZINE}

> <pdid>
PD001750

> <targets>
{Antibiotic,Bacterial,Parasite}

> <classes>
{antibacterial,Anti-infection}

> <pubchem_cids>
{5215}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    7.6894   -1.1304    0.0000 Cl  0  5
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  3
    2.5909   -6.0056    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 Cl  0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22  8  1  0
 22 16  1  0
M  CHG  2   1  -1   3   1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15479

> <plate>
PLATE 003

> <well>
C5

> <supplier_cmpd_name>
Chlorpromazine hydrochloride

> <ctcr_id>
4361

> <supplier_cmpd_id>
T1384

> <smiles>
[Cl-].C[NH+](C)CCCN1c2ccccc2Sc3ccc(Cl)cc13

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MLS000595399,SMR000149922,Opera_ID_1263,OperaID1263,Opera-ID-1263,"Opera ID 1263",HMS2234H07,HMS3370H01,(3-(2-Chloro-phenothiazin-10-yl)-propyl)-dimethyl-ammonium,(3(2Chlorophenothiazin10yl)propyl)di
methylammonium,Plegomazin,Propaphenin,Hibernal,"Chlorpromazinium chloride",2-Chloro-10-(3-(dimethylamino)propyl)pheno,2Chloro10(3(dimethylamino)propyl)pheno,SAM002564196,Prestw-64,CPD000058254,"Chlorp
romazine hydrochloride"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{522335,25010312,657361,6240}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 29  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 O   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8912    5.2578    0.0000 C   0  0
    5.1886    6.0105    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.5133   -2.9102    0.0000 C   0  0
    1.9910   -3.1685    0.0000 C   0  0
    2.5062   -4.5772    0.0000 C   0  0
    1.5439   -5.7278    0.0000 C   0  0
    0.0662   -5.4697    0.0000 C   0  0
   -0.4490   -4.0609    0.0000 C   0  0
   -1.9267   -3.8029    0.0000 Cl  0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8926   -3.7566    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  7 13  1  0
 13 14  1  0
 14 15  2  3
 15 16  1  0
 16  6  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 22 23  1  0
 15 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 14 28  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15480

> <plate>
PLATE 003

> <well>
C6

> <supplier_cmpd_name>
Amlodipine

> <ctcr_id>
4538

> <supplier_cmpd_id>
T1385

> <smiles>
CCOC(=O)C1=C(COCCN)NC(=C(C1c2ccccc2Cl)C(=O)OC)C

> <pd_targets>
{CACNA1C,CACNA1D,CACNA1F,CACNA1S,NOS3,NOS2,FFP,NR1I2,RORC,CYP3A4,KCNK2,ABCB11,ADRA1B,ADRA1D,ADRA1A,ADRA2A,ADRA2C,HTR6,SLC6A3,ABCB1,CACNA1B,CACNB1,CACNA2D3,CA1,SMPD1,CACNA1I}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Voltage-gated ion channel","Voltage-gated calcium channel","Transcription factor",Transporter,"Membrane receptor",Transferase,"Nuclear receptor","Cytochrome P450","Primary activ
e transporter","Family A G protein-coupled receptor","Electrochemical transporter",Lyase,Hydrolase,"Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Potassium channels","ATP-binding c
assette","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 f
amily 3A","Two-pore domain potassium channel","ABCB subfamily","Monoamine receptor","SLC06 neurotransmitter transporter family","Nuclear hormone receptor subfamily 1 group I member 2","Nuclear hormone
 receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Adrenergic receptor","Serotonin receptor"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Voltage-gated ion channels","L-Arginine turnover","Voltage-gated calcium channels","Nitric oxide synthases",Receptors,Transporters,"Nuclear hormone receptors","Cytochrome P450
","ATP-binding cassette transporter family","G protein-coupled receptors","SLC superfamily of solute carriers","Carbonic anhydrases","Ceramide turnover","1I. Vitamin D receptor-like receptors","1F. Re
tinoic acid-related orphans","CYP3 family","Potassium channels","ABCB subfamily",Adrenoceptors,"5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter family","Sphingomyelin phosphodiestera
se","Two P domain potassium channels","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction",Disease,"Nervous system development","Signaling by Receptor Tyrosine Kinases","Infectious disease","Axon guidance","Signaling by VEGF","Infection with My
cobacterium tuberculosis","NCAM signaling for neurite out-growth","VEGFA-VEGFR2 Pathway","Response of Mtb to phagocytosis","NCAM1 interactions","VEGFR2 mediated vascular permeability","Suppression of 
phagosomal maturation","Inhibition of nitric oxide production","Metabolism of proteins","Gene expression (Transcription)",Metabolism,"Neuronal System","Immune System","Post-translational protein modif
ication","RNA Polymerase II Transcription","Metabolism of lipids","Potassium Channels","Signaling by GPCR","Disorders of transmembrane transporters","Abacavir transport and metabolism","Transmission a
cross Chemical Synapses","Cytokine Signaling in Immune system",SUMOylation,"Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Tandem pore domain potassium cha
nnels","Metabolism of steroids","GPCR ligand binding","Leishmania infection","SLC transporter disorders","Abacavir transmembrane transport","Presynaptic depolarization and calcium channel opening","Si
gnaling by Interleukins","Sphingolipid metabolism","SUMO E3 ligases SUMOylate target proteins","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","TWIK related potassium channel 
(TREK)","Bile acid and bile salt metabolism","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Interle
ukin-12 family signaling","Glycosphingolipid metabolism","SUMOylation of intracellular receptors","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Synthesis of bile aci
ds and bile salts","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Interleukin-12 signaling","Biosynthesis of maresin-like SPMs","Synthesis of bi
le acids and bile salts via 7alpha-hydroxycholesterol",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines production","Gene and protein expression by JAK-STAT signaling after Interleukin-12 s
timulation"}

> <broad_targets>
{}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{RESTW121,amlodipine,88150-42-9,88150429,Norvasc,"AMLODIPINE BASE",Amlodipino,Amlodipinum,Caduet,Istin,"Amlodipine Free Base","Amlodipine besilate",Amvaz,Amlodis,CHEBI:2668,"Norvasc (TN)",Amlocard,Cor
oval,Lipinox,UK-4834011,UK4834011,Amlor,"Amlodipinum (Latin)",Amlodipin,T4284,T1385,S1905,Prestw-1219,"(S)-Amlodipine Besylate (103129-82-4(free base))",Amlodipine,Amlodipine,"Amlodipine (Norvasc)"}

> <pdid>
PD008989

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2162}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.1996    1.4928    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15481

> <plate>
PLATE 003

> <well>
C7

> <supplier_cmpd_name>
Ibuprofen

> <ctcr_id>
304

> <supplier_cmpd_id>
T1394

> <smiles>
CC(C)Cc1ccc(cc1)C(C)C(O)=O

> <pd_targets>
{PTGS1,CYP2C9,BLM,CXCR1,CXCR2,NFO,PTGS2,TSHR,PMP22,LMNA,AKR1C3,AKR1C2,BCL2,THBD,PLAT,FABP2,PPARG,CFTR,SLC5A8,NFKB1,ALB,ALOX5,DHRS9,PTGDS,FABP1,SLC22A20,SLC22A6,ASIC1,PPARA,GP1BA,S100A7,CXCL8}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein","Other nuclear protein","Ion channel","Auxiliary transport protein","Transcription factor",Oxidoreductase,"Cytochrome P450","Family A G protein-coupl
ed receptor",Hydrolase,"Other ion channel",Protease,"Fatty acid binding protein family","Nuclear receptor","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Miscellaneous ion channel","Se
rine protease","Nuclear hormone receptor subfamily 1","Chloride channel","Cytochrome P450 family 2C","Chemokine receptor","Glycohormone receptor","Bcl-2 family","Serine protease PA clan","Nuclear horm
one receptor subfamily 1 group C","Cystic fibrosis transmembrane conductance regulator","Cytochrome P450 2C9","CXC chemokine receptor","Serine protease S1A subfamily","Nuclear hormone receptor subfami
ly 1 group C member 3","Other cytosolic protein","Secreted protein",Transporter,Isomerase,"Electrochemical transporter","Ligand-gated ion channel","SLC superfamily of solute carriers","Acid-sensing io
n channel","SLC22 family of organic cation and anion transporters","Nuclear hormone receptor subfamily 1 group C member 1"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Ion channels","Eicosanoid turnover","Cytochrome P450","G protein-coupled receptors","B-cell lymphoma 2 (Bcl-2) protein family","Peptidases and proteinases",
"Fatty acid-binding proteins","Nuclear hormone receptors","Other ion channels",Cyclooxygenase,"CYP2 family: drug metabolising subset","Glycoprotein hormone receptors","Prostaglandin synthases","PA: Se
rine (S) Peptidases","1C. Peroxisome proliferator-activated receptors","Chloride channels","S1: Chymotrypsin",CFTR,Transporters,"SLC superfamily of solute carriers","Ligand-gated ion channels","SLC5 f
amily of sodium-dependent glucose transporters",Lipoxygenases,"SLC22 family of organic cation and anion transporters","Acid-sensing (proton-gated) ion channels (ASICs)","Sodium iodide symporter","sodi
um-dependent multivitamin transporter and sodium-coupled monocarboxylate transporters","Orphan or poorly characterized SLC22 family members","Organic anion transporters (OATs)"}

> <pathway_reactome>
{Metabolism,"DNA Repair",Disease,"Developmental Biology","Cell Cycle","Immune System",Hemostasis,"Signal Transduction","Gene expression (Transcription)",Autophagy,"Metabolism of lipids","Biological ox
idations","DNA Double-Strand Break Repair","Infectious disease","Nervous system development",Mitotic,"Innate Immune System","Formation of Fibrin Clot (Clotting Cascade)","Signaling by Receptor Tyrosin
e Kinases","RNA Polymerase II Transcription",Macroautophagy,"Fatty acid metabolism","Phase I - Functionalization of compounds","Homology Directed Repair","Biosynthesis of specialized proresolving medi
ators (SPMs)","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Metabolism of steroids","Nucleotide-binding domain","leucine rich repeat containing rec
eptor (NLR) signaling pathways","Common Pathway of Fibrin Clot Formation","Signaling by PDGF","Triglyceride metabolism","Generic Transcription Pathway","Selective autophagy","Arachidonic acid metaboli
sm","Cytochrome P450 - arranged by substrate type","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DPA-derived SPMs","Leishmania parasite growth and surv
ival","Mitotic Metaphase and Anaphase","Bile acid and bile salt metabolism",Inflammasomes,"Triglyceride catabolism","Transcriptional Regulation by MECP2",Aggrephagy,"Synthesis of Prostaglandins (PG) a
nd Thromboxanes (TX)",Xenobiotics,"HDR through Homologous Recombination (HRR)","Biosynthesis of DPAn-3 SPMs","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Sy
nthesis of bile acids and bile salts","The NLRP1 inflammasome","MECP2 regulates transcription factors","CYP2E1 reactions","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammato
ry cytokines production","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","Presynaptic phase of homologous DNA pairing and strand exchange","Initia
tion of Nuclear Envelope (NE) Reformation","Transport of small molecules","Metabolism of vitamins and cofactors","Cytokine Signaling in Immune system","Signaling by GPCR","SLC-mediated transmembrane t
ransport","Ion channel transport","Diseases of hemostasis","Metabolism of water-soluble vitamins and cofactors","Signaling by Interleukins","GPCR downstream signalling","Regulation of lipid metabolism
 by PPARalpha","Transport of bile salts and organic acids","metal ions and amine compounds","Stimuli-sensing channels","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","A
ntimicrobial peptides","GPCR ligand binding","Nicotinate metabolism","Interleukin-1 family signaling","G alpha (i) signalling events","PPARA activates gene expression","Organic cation/anion/zwitterion
 transport","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Defective factor IX causes hemophilia B","Metal sequestration by antimicrobial proteins","Class A/1 (Rhodopsin-like receptors)","
Nicotinamide salvaging","Interleukin-1 signaling","Recycling of bile acids and salts","Visual phototransduction","Organic anion transport","Activation of gene expression by SREBF (SREBP)","Defective F
9 activation","Peptide ligand-binding receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived 13-series resolvins","The canonical retinoid cycle in rods (twilight visio
n)","Chemokine receptors bind chemokines"}

> <broad_targets>
{ASIC1,PTGS1,PTGS2,SLC5A8}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{ibuprofen,Nobgen,PediaProfen,Rufen,Nobfelon,Brufort,Inabrin,Pantrop,Rebugen,Suspren,Tabalon,(RS)-Ibuprofen,(RS)Ibuprofen,Anco,Urem,Ibu-slo,Ibuslo,Brufanic,Ibuprohm,Napacetin,Ibufen,Ibren,"4-Isobutylh
ydratropic acid","4Isobutylhydratropic acid","p-Isobutylhydratropic acid","pIsobutylhydratropic acid",Proartinal,Dibufen,T1394,T0448,SAM002264619,1500347,Ibuprofen,Dexibuprofen,CPD000058184,IBUPROFEN}

> <pdid>
PD001306

> <targets>
{}

> <classes>
{antiinflammatory}

> <pubchem_cids>
{3672}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 16 17  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0  2  0  0  0
    1.2121    3.8625    0.0000 O   0  0
    0.7463    5.2884    0.0000 C   0  0  2  0  0  0
    1.6276    6.5001    0.0000 C   0  0
    3.1194    6.3435    0.0000 O   0  0
   -0.7537    5.2860    0.0000 C   0  0
   -1.2149    3.8587    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  1
  8  9  1  0
  7 10  1  0
 10 11  2  3
 11  5  1  0
  4 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15  2  1  0
 15 16  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15482

> <plate>
PLATE 003

> <well>
C8

> <supplier_cmpd_name>
Stavudine

> <ctcr_id>
6699

> <supplier_cmpd_id>
T1404

> <smiles>
CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O

> <pd_targets>
{BLM,POLB,CHRM1,ALB,"REVERSE TRANSCRIPTASE",POL,LMNA,ALDH1A1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Secreted protein","Other nuclear protein","Family A G protein-coupled receptor",Hydrolase,Oxidoreductase,"Small molecule receptor (family A GPCR)","Monoamine receptor","Ac
etylcholine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{"DNA Repair","Signal Transduction",Metabolism,"Cell Cycle","DNA Double-Strand Break Repair","Base Excision Repair","Signaling by GPCR","Metabolism of lipids",Mitotic,"Biological oxidations","Homology
 Directed Repair","Resolution of Abasic Sites (AP sites)","GPCR ligand binding","Metabolism of steroids","M Phase","Phase I - Functionalization of compounds","HDR through Homologous Recombination (HRR
) or Single Strand Annealing (SSA)","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","Mitotic 
Metaphase and Anaphase","Ethanol oxidation","HDR through Homologous Recombination (HRR)","PCNA-Dependent Long Patch Base Excision Repair","Amine ligand-binding receptors","Recycling of bile acids and 
salts","Mitotic Anaphase","Homologous DNA Pairing and Strand Exchange","Muscarinic acetylcholine receptors","Nuclear Envelope (NE) Reassembly","Presynaptic phase of homologous DNA pairing and strand e
xchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"DNA directed DNA polymerase inhibitor","nucleoside reverse transcriptase inhibitor"}

> <synonyms>
{3056-17-5,3056175,sanilvudine,Zerit,"2',3'-Didehydro-3'-deoxythymidine","2',3'Didehydro3'deoxythymidine","Zerit Xr",BMY-27857,BMY27857,Estavudina,Stavudinum,"Stavudinum (INN-Latin)","Stavudinum (INNL
atin)","2',3'-Anhydrothymidine","2',3'Anhydrothymidine","Estavudina (INN-Spanish)","Estavudina (INNSpanish)",d4T,"Thymidine, 2',3'-didehydro-3'-deoxy-","Thymidine, 2',3'didehydro3'deoxy",3'-Deoxy,3'De
oxy,SAM002589948,SAM001246729,Prestw-1279,CPD000673569,CPD000058350,Stavudine}

> <pdid>
PD001676

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{18283}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 29  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.6051   -5.9945    0.0000 N   0  3
    2.6101   -7.4945    0.0000 O   0  5
    3.9019   -5.2406    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2570    0.0000 C   0  0
   -5.1937   -3.0093    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
    2.5988    1.5004    0.0000 C   0  0
    3.8978    2.2504    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10  5  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 15 17  1  0
 17 18  1  0
 17 19  2  0
  9 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
  8 26  1  0
  6 27  1  0
 27 28  3  0
M  CHG  2  17   1  18  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15483

> <plate>
PLATE 003

> <well>
C9

> <supplier_cmpd_name>
Nilvadipine

> <ctcr_id>
4100

> <supplier_cmpd_id>
T1422

> <smiles>
COC(=O)C1=C(NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OC(C)C)C)C#N

> <pd_targets>
{NR1I2,CACNA1C,CACNA1D,CACNA1S,ABCB1,CACNA1F,CACNA2D1,CACNB2,CACNA2D3}

> <pathway_gtopdb>
{"Transcription factor","Ion channel",Transporter,"Auxiliary transport protein","Nuclear receptor","Voltage-gated ion channel","Primary active transporter","Calcium channel auxiliary subunit alpha2del
ta family","Calcium channel auxiliary subunit beta family","Nuclear hormone receptor subfamily 1","Voltage-gated calcium channel","ATP-binding cassette","Nuclear hormone receptor subfamily 1 group I",
"ABCB subfamily","Nuclear hormone receptor subfamily 1 group I member 2"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels","Nuclear hormone receptors","ATP-binding cassette transporter family","Voltage-gated ion channels","1I. Vitamin D receptor-like receptors","ABCB subfamily","Volt
age-gated calcium channels"}

> <pathway_reactome>
{"Metabolism of proteins",Metabolism,"Developmental Biology","Neuronal System","Post-translational protein modification","Abacavir transport and metabolism","Nervous system development","Transmission 
across Chemical Synapses",SUMOylation,"Abacavir transmembrane transport","Axon guidance","Presynaptic depolarization and calcium channel opening","SUMO E3 ligases SUMOylate target proteins","NCAM sign
aling for neurite out-growth","SUMOylation of intracellular receptors","NCAM1 interactions"}

> <broad_targets>
{CACNA1C,CACNA1D}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{75530-68-6,75530686,Escor,Nivadil,Nivadipine,FR-34235,FR34235,"FK 235","FR 34235","SK&F 102,362","CL 287,389","Nilvadipine (ARC029)",FK-235,FK235,CL-287389,CL287389,C19H19N3O6,SK&F-102362,SK&F102362,
NCGC00167435-01,NCGC0016743501,"CL-287,389","CL287,389","Nilvadipinum (Latin)","Nilvadipino (Spanish)",T1422,Prestw-1154,Nilvadipine}

> <pdid>
PD000500

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4494}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

  9  9  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15484

> <plate>
PLATE 003

> <well>
C10

> <supplier_cmpd_name>
Pyrazinamide

> <ctcr_id>
6821

> <supplier_cmpd_id>
T1426

> <smiles>
NC(=O)c1cnccn1

> <pd_targets>
{TSHR,FAS}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Family A G protein-coupled receptor",Transferase,"Peptide receptor (family A GPCR)","Glycohormone receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Glycoprotein hormone receptors"}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production"}

> <broad_targets>
{FASN}

> <broad_moa>
{"fatty acid synthase inhibitor"}

> <synonyms>
{pyrazinamide,pyrazinecarboxamide,98-96-4,98964,pyrazine-2-carboxamide,pyrazine2carboxamide,"pyrazinoic acid amide",2-Pyrazinecarboxamide,2Pyrazinecarboxamide,Zinamide,Aldinamide,Tebrazid,Aldinamid,Pi
razinamid,Pyrazineamide,Pyrafat,Unipyranamide,Farmizina,Pirazimida,"pyrazine carboxylamide",T1426,SAM002554927,1500518,Prestw-514,Pyrazinamide,CPD000036662,PYRAZINAMIDE}

> <pdid>
PD001773

> <targets>
{Antibiotic,Autophagy,Bacterial}

> <classes>
{tuberculostatic,antibacterial,Anti-infection,Autophagy}

> <pubchem_cids>
{1046}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 34  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.5133   -2.9102    0.0000 C   0  0
    1.9910   -3.1685    0.0000 C   0  0
    2.5062   -4.5772    0.0000 C   0  0
    1.5439   -5.7278    0.0000 C   0  0
    0.0662   -5.4697    0.0000 C   0  0
   -0.4490   -4.0609    0.0000 C   0  0
   -1.9280   -3.8058    0.0000 C   0  0
   -2.8892   -4.9584    0.0000 C   0  0
   -4.3682   -4.7033    0.0000 C   0  0
   -4.8860   -3.2955    0.0000 O   0  0
   -5.3294   -5.8559    0.0000 O   0  0
   -6.8083   -5.6007    0.0000 C   0  0
   -7.7690   -6.7527    0.0000 C   0  0
   -8.2864   -5.3450    0.0000 C   0  0
   -7.3261   -4.1929    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5937   -3.0031    0.0000 O   0  0
   -3.8990   -0.7562    0.0000 O   0  0
   -3.9040    0.7446    0.0000 C   0  0
   -5.2051    1.4911    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12  6  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 11 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 10 33  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15485

> <plate>
PLATE 003

> <well>
C11

> <supplier_cmpd_name>
Lacidipine

> <ctcr_id>
708

> <supplier_cmpd_id>
T1439

> <smiles>
CCOC(=O)C1=C(C)NC(=C(C1c2ccccc2\C=C\C(=O)OC(C)(C)C)C(=O)OCC)C

> <pd_targets>
{AR,CYP2C9,DRD3,TBXAS1,ADORA3,SLC6A2,CYP2C19,CYP3A4,CACNA1A,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNB1,CACNB2,CACNB3,CACNB4,LMNA,HTT,RORC}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Membrane receptor",Transporter,"Other nuclear protein","Unclassified protein","Nuclear receptor","Cytochrome P450","Family A G protein-coupled receptor","Electrochemica
l transporter","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Cytochrome P450 family 5","SLC superfamily of solute carriers","Cytochrome P
450 family 3","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 3 group C","Cytochrome P450 family 2C","Monoamine receptor","Cytochrome P450 family 5A","Nucleotide-like recept
or (family A GPCR)","SLC06 neurotransmitter transporter family","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 3 group C member 4","Cyto
chrome P450 2C9","Dopamine receptor","Cytochrome P450 5A1","Adenosine receptor","Cytochrome P450 2C19","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Cytochrome P450","G protein-coupled receptors","SLC superfamily of solute carriers","Steroid hormone receptors","CYP2 family: drug metaboli
sing subset","Dopamine receptors",CYP5,"CYP7 and CYP8 families","Adenosine receptors","SLC6 neurotransmitter transporter family","CYP3 family","1F. Retinoic acid-related orphans","3C. 3-Ketosteroid re
ceptors","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Signal Transduction",Disease,"Cell Cycle","RNA Polymerase II Transcription","Biological oxidations","Signaling by GPCR","Disorders of transmembrane trans
porters","Metabolism of lipids",Mitotic,"Generic Transcription Pathway","Phase I - Functionalization of compounds","GPCR ligand binding","SLC transporter disorders","Biosynthesis of specialized prores
olving mediators (SPMs)","M Phase","Transcriptional regulation by RUNX2","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A2 causes orthostatic into
lerance (OI)","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","RUNX2 regulates bone development",Xenobio
tics,"Amine ligand-binding receptors",Eicosanoids,"Nucleotide-like (purinergic) receptors","Biosynthesis of maresins","Mitotic Anaphase","Regulation of MECP2 expression and activity","RUNX3 Regulates 
Immune Response and Cell Migration","RUNX2 regulates osteoblast differentiation","CYP2E1 reactions","Dopamine receptors","Adenosine P1 receptors","Biosynthesis of maresin-like SPMs","Nuclear Envelope 
(NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CACNA1C}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{Lacidipine,103890-78-4,103890784,Lacipil,Motens,GR-43659X,GR43659X,"GR 43659X","Lacidipine (Lacipil, Motens)",UNII-260080034N,UNII260080034N,C26H33NO6,Lacimen,DSSTox_CID_26429,DSSToxCID26429,DSSTox-C
ID-26429,"DSSTox CID 26429",DSSTox_RID_81607,DSSToxRID81607,DSSTox-RID-81607,"DSSTox RID 81607",DSSTox_GSID_46429,DSSToxGSID46429,DSSTox-GSID-46429,"DSSTox GSID 46429",260080034N,"Lacidipinum (Latin)"
,"Lacidipino (Spanish)",Lacidipino,T1439,Prestw-1297}

> <pdid>
PD008990

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5311217}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    1.1700    0.0900    0.0000 C   0  0
    0.0400   -1.0200    0.0000 C   0  0
   -1.0400   -0.3900    0.0000 C   0  0
   -2.1100   -0.8400    0.0000 C   0  0
   -1.3200    0.0900    0.0000 C   0  0
    0.0000   -0.6200    0.0000 C   0  0
   -1.3200    1.5200    0.0000 C   0  0
    0.0000    2.2400    0.0000 C   0  0
    1.1700    1.5200    0.0000 C   0  0
   -1.0400    1.1000    0.0000 C   0  0
   -2.7075    0.6600    0.0000 N   0  0
   -1.3177   -1.8641    0.0000 C   0  0
    2.4768   -0.6464    0.0000 C   0  0
    4.9300    0.2350    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9  1  1  0
  8 10  1  0
 10  3  1  0
  5 11  1  0
  3 12  1  0
  1 13  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15486

> <plate>
PLATE 003

> <well>
D2

> <supplier_cmpd_name>
Memantine hydrochloride

> <ctcr_id>
11093

> <supplier_cmpd_id>
T1443

> <smiles>
C12(CC3(CC(C1)(CC(C2)C3)N)C)C.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"glutamate receptor antagonist"}

> <synonyms>
{"MEMANTINE HYDROCHLORIDE",41100-52-1,41100521,"Memantine HCL","3,5-Dimethyl-1-adamantanamine hydrochloride","3,5Dimethyl1adamantanamine hydrochloride","3,5-dimethyladamantan-1-amine hydrochloride","3
,5dimethyladamantan1amine hydrochloride",Namenda,Akatinol,Axura,"Namenda XR",memantine.HCl,"Memantine (hydrochloride)",1-Ami,1Ami,T1443,"Memantine hydrochloride"}

> <pdid>
PD009581

> <targets>
{AMPA,"NMDA receptor","Kainate receptor"}

> <classes>
{Neuroscience,Others}

> <pubchem_cids>
{181458}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.4470    5.2297    0.0000 S   0  0
   -2.9153    5.5365    0.0000 C   0  0
   -3.6607    4.2349    0.0000 C   0  0
   -2.6532    3.1236    0.0000 N   0  0
   -3.5322    6.9018    0.0000 C   0  0
   -2.6569    8.1199    0.0000 O   0  0
   -5.0256    7.0513    0.0000 N   0  0
   -5.6437    8.4190    0.0000 C   0  0
   -7.1360    8.5706    0.0000 C   0  0
   -8.0134    7.3540    0.0000 C   0  0
   -7.7509    9.9388    0.0000 C   0  0
   -6.8735   11.1554    0.0000 C   0  0
   -5.3812   11.0039    0.0000 C   0  0
   -4.7663    9.6357    0.0000 C   0  0
   -3.2739    9.4842    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 N   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 N   0  0
   -6.4915   -3.7597    0.0000 C   0  0
   -6.4870   -5.2605    0.0000 C   0  0
   -7.7833   -6.0153    0.0000 O   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  2  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 14  1  0
 20 21  1  0
  4 22  2  0
 22 23  1  0
 23 24  2  0
 24  2  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 28 32  1  0
 32 33  1  0
 33 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15487

> <plate>
PLATE 003

> <well>
D3

> <supplier_cmpd_name>
Dasatinib

> <ctcr_id>
6468

> <supplier_cmpd_id>
T1448

> <smiles>
Cc1nc(Nc2sc(cn2)C(=O)Nc3c(C)cccc3Cl)cc(n1)N4CCN(CCO)CC4

> <pd_targets>
{EPHB6,ERBB4,LCK,SRC,ABL1,BCR,BTK,EPHA2,CSK,CSNK1E,EPHB1,EPHB4,TUBA1A,RAF1,RET,RIPK2,PDGFRA,MAP4K3,BLK,MAP4K4,BMX,MAP4K2,TESK1,EPHA1,EGFR,ERBB2,FGFR1,KIT,TYK2,BMPR1B,PLK4,LIMK1,LIMK2,MAP2K1,SIK2,ACVR2
A,GAK,DDR2,IRAK4,ACVRL1,COQ8A,TAOK2,TAOK3,CDPK1,DYRK3,MAPK14,MAP4K1,PDGFRB,SLK,HTR2A,BRAF,FGR,FGFR2,NLK,FLT3,KCNH2,NORA,EPHB3,WEE2,JAK2,STK4,STK10,DDR1,STK36,EPHA8,FLT1,SBK1,TNIK,TXK,EPHB2,MINK1,MAPK1
1,ACVR1B,ACVR1,MAP4K5,TEC,DMPK,REP,KDR,FRK,WEE1,MAP3K20,TGFBR1,PTK6,SIK3,YES1,MAP3K19,MAP3K7,NEK11,MAPK12,MAPK13,HCK,JAK3,CDC42BPA,AURKA,FGFR3,MAP3K3,CYP3A4,STK26,ABL2,SIK1,SRMS,SYK,EIF2AK4,MAP3K13,PI
K3CA,PKMYT1,CSF1R,EPHA4,STK25,LYN,MAP2K2,CDC42BPB,TGFBR2,CDC42BPG,ACVR2B,EPHA6,MAP2K5,TNK2,PIK3CD,MTOR,MAP3K4,ULK3,ERBB3,MYLK2,FYN,TNNI3K,TAOK1,EPHA5,NEK2,AXL,VRK2,HTT,AURKB,EPHA3,PKN2,FES,STK35,MAP3K
10,BMPR1A,MAP3K2,ITK,ABCB11,MYT1,CACNA1C,CACNA1D,CACNA1F,CACNA1S,ABCC4,SCN5A,STAT5B}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Structural protein","Membrane receptor","Ion channel",Transporter,"Transcription factor",Kinase,"Family A G protein-coupled receptor","Voltage-gated ion channel","Cytoc
hrome P450",Transferase,"Primary active transporter","Protein Kinase","Small molecule receptor (family A GPCR)","Potassium channels","Cytochrome P450 family 3","ATP-binding cassette","Voltage-gated ca
lcium channel","Voltage-gated sodium channel","TK protein kinase group","Atypical protein kinase group","CK1 protein kinase group","TKL protein kinase group","STE protein kinase group","Other protein 
kinase group","CAMK protein kinase group","CMGC protein kinase group","Monoamine receptor","Voltage-gated potassium channel","AGC protein kinase group","Cytochrome P450 family 3A","ABCB subfamily","AB
CC subfamily","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Atypical protein kinase BCR family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Tec family",
"Tyrosine protein kinase Eph family","Tyrosine protein kinase Csk family","CK1 protein kinase CK1 family","TKL protein kinase RAF family","Tyrosine protein kinase Ret family","TKL protein kinase RIPK 
family","Tyrosine protein kinase PDGFR family","STE protein kinase STE20 family","TKL protein kinase LISK family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase JakA family","TKL prote
in kinase STKR family","Other protein kinase PLK family","STE protein kinase STE7 family","CAMK protein kinase CAMK1 family","Other protein kinase NAK family","Tyrosine protein kinase DDR family","TKL
 protein kinase IRAK family","CMGC protein kinase DYRK family","CMGC protein kinase MAPK family","Serotonin receptor","Other protein kinase WEE family","Other protein kinase ULK family","Tyrosine prot
ein kinase VEGFR family","Other protein kinase NKF1 family","AGC protein kinase DMPK family","TKL protein kinase MLK family","STE protein kinase STE11 family","Other protein kinase NEK family","Other 
protein kinase AUR family","Cytochrome P450 3A4","Tyrosine protein kinase Syk family","Other protein kinase PEK family","Tyrosine protein kinase Ack family","Atypical protein kinase PIKK family","CAMK
 protein kinase MLCK family","Tyrosine protein kinase Axl family","AGC protein kinase PKN family","Tyrosine protein kinase Fer family","Other protein kinase NKF4 family","STE protein kinase KHS subfam
ily","STE protein kinase MSN subfamily","TKL protein kinase TESK subfamily","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase LIMK subfamily","CAMK protein kinase QIK subfamily","TKL prot
ein kinase STKR Type 2 subfamily","STE protein kinase TAO subfamily","CMGC protein kinase Dyrk2 subfamily","CMGC protein kinase p38 subfamily","STE protein kinase SLK subfamily","CMGC protein kinase n
mo subfamily","Other protein kinase WEE1","STE protein kinase MST subfamily","TKL protein kinase STKR1","AGC protein kinase GEK subfamily","TKL protein kinase MLK subfamily","TKL protein kinase TAK1 s
ubfamily","Other protein kinase Nek11","STE protein kinase MEKK2","STE protein kinase YSK subfamily","Tyrosine protein kinase Srm","Other protein kinase GCN2 subfamily","TKL protein kinase LZK subfami
ly","Atypical protein kinase FRAP subfamily","Tyrosine protein kinase SrcA","TKL protein kinase HH498 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Ion channels",Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)",Tubulins,"G protein-coupled receptors","Voltage-gated ion channels","Anti-infective 
targets","Cytochrome P450","ATP-binding cassette transporter family","Receptor kinases","CK1: Casein kinase 1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmo
dulin-dependent protein kinases",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","5-Hydroxytryptamine receptors","Potassium channels","AGC: Containing PKA",PKG,"PKC families","Viral protein t
argets","CYP3 family","Lipid modifying kinases","ABCB subfamily","ABCC subfamily","Voltage-gated sodium channels","TK: Tyrosine kinase","Casein kinase 1 (CK1) family","TKL: Tyrosine kinase-like","STE2
0 family","Other protein kinases","STE7 family","CAMK-like (CAMKL) family","ABC1 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Mitogen-activated protein kinas
es (MAP kinases)","Voltage-gated potassium channels","DMPK family","Coronavirus (CoV) proteins","STE11 family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-
related kinases (PIKK) family","Myosin Light Chain Kinase (MLCK) family","Vaccina related kinase (VRK) family","Protein kinase N (PKN) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine
 kinases (nRTKs)","RAF family","Receptor interacting protein kinase (RIPK) family","KHS subfamily","MSN subfamily","LIM domain kinase (LISK) family","Receptor serine/threonine kinase (RSTK) family","P
olo-like kinase (PLK) family","QIK subfamily","Numb-associated kinase (NAK) family","Interleukin-1 receptor-associated kinase (IRAK) family","ABC1-B subfamily","TAO subfamily","Dyrk2 subfamily","p38 s
ubfamily","SLK subfamily","nmo subfamily","WEE family","MST subfamily","Unc-51-like kinase (ULK) family","NKF1 family","GEK subfamily","Mixed Lineage Kinase (MLK) family","STE20 subfamily","NIMA (neve
r in mitosis gene a)- related kinase (NEK) family","Aurora kinase (Aur) family","YSK subfamily","PEK family","FRAP subfamily","NKF4 family","Type XIII RTKs: Ephrin receptor family","Type I RTKs: ErbB 
(epidermal growth factor) receptor family","Src family","Abl family","Tec family","Csk family","Type XIV RTKs: RET","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","TESK subfamily","Type V RTKs
: FGF (fibroblast growth factor) receptor family","Janus kinase (JakA) family","Type I receptor serine/threonine kinases","LIMK subfamily","Type II receptor serine/threonine kinases","Type XVI RTKs: D
DR (collagen receptor) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","MLK subfamily","TAK1 subfamily","Syk family","GCN2 subfamily","LZK subfamily","Ack family","HH
498 subfamily","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Fer family"}

> <pathway_reactome>
{"Developmental Biology","Neuronal System",Disease,"Signal Transduction","Cell Cycle","Immune System","Gene expression (Transcription)","Cellular responses to external stimuli",Metabolism,"Cell-Cell c
ommunication","Vesicle-mediated transport","Extracellular matrix organization","Muscle contraction","Programmed Cell Death","Circadian Clock",Hemostasis,"Nervous system development","Transmission acro
ss Chemical Synapses","Infectious disease","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"MAPK family signaling ca
scades","Innate Immune System","RNA Polymerase II Transcription","Cellular responses to stress","Metabolism of lipids","Cell junction organization","Signaling by GPCR","Cytokine Signaling in Immune sy
stem","Signaling by TGFB family members","Signaling by NODAL","Membrane Trafficking","Non-integrin membrane-ECM interactions","Intracellular signaling by second messengers","Signaling by WNT","Cardiac
 conduction","Signaling by Hippo","Cell Cycle Checkpoints",Apoptosis,"Signaling by Non-Receptor Tyrosine Kinases","Signaling by Hedgehog","Signaling by Rho GTPases","Adaptive Immune System","Platelet 
activation","signaling and aggregation","Axon guidance","Neurotransmitter receptors and postsynaptic signal transmission","HIV Infection","Signaling by NTRKs","Leishmania infection","Oncogenic MAPK si
gnaling","Mitotic G2-G2/M phases","MAPK1/MAPK3 signaling","Toll-like Receptor Cascades","Signaling by PDGFR in disease","Generic Transcription Pathway","Cellular Senescence","Phospholipid metabolism",
"Cell-extracellular matrix interactions","GPCR downstream signalling","Signaling by FGFR in disease","Signaling by KIT in disease","Interferon Signaling","Signaling by BMP","Regulation of signaling by
 NODAL","trans-Golgi Network Vesicle Budding","PIP3 activates AKT signaling","GPCR ligand binding","Beta-catenin independent WNT signaling","Signaling by Insulin receptor","Phase 3 - rapid repolarisat
ion","Mitotic G1 phase and G1/S transition","Neutrophil degranulation","Signaling by VEGF","Fc epsilon receptor (FCERI) signaling","Signaling by Interleukins","Ion homeostasis","SARS-CoV Infections","
G2/M Checkpoints","Signaling by TGF-beta Receptor Complex in Cancer","Biosynthesis of specialized proresolving mediators (SPMs)","Apoptotic execution phase","Signaling by PTK6","Response of EIF2AK4 (G
CN2) to amino acid deficiency","Hedgehog 'on' state","M Phase","Regulation of mitotic cell cycle","RHO GTPase Effectors","TCR signaling","Metabolism of steroids","Response to elevated platelet cytosol
ic Ca2+","EPH-Ephrin signaling","Activation of NMDA receptors and postsynaptic events","Host Interactions of HIV factors","Signaling by NTRK1 (TRKA)","Parasite infection","Signaling by RAS mutants","G
2/M Transition","RAF/MAP kinase cascade","RET signaling","Toll Like Receptor 5 (TLR5) Cascade","Drug resistance of PDGFR mutants","Transcriptional regulation by RUNX1","Oxidative Stress Induced Senesc
ence","PI Metabolism","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","G alpha (q) signalling events","Semaphorin interactions","Signaling by FGFR1 in disease","Dr
ug resistance of KIT mutants","Interferon alpha/beta signaling","Golgi Associated Vesicle Biogenesis","Toll Like Receptor 2 (TLR2) Cascade","Negative regulation of the PI3K/AKT network","Class A/1 (Rh
odopsin-like receptors)","Leishmania parasite growth and survival","Signaling by FGFR2 in disease","Ca2+ pathway","Insulin receptor signalling cascade","G1 Phase","VEGF ligand-receptor interactions","
FCERI mediated Ca+2 mobilization",Interleukin-3,"Interleukin-5 and GM-CSF signaling","SARS-CoV-1 Infection","VEGFA-VEGFR2 Pathway","PTEN Regulation","G2/M DNA damage checkpoint","Loss of Function of S
MAD2/3 in Cancer","Toll Like Receptor 4 (TLR4) Cascade","Interleukin-2 family signaling","Transcriptional Regulation by TP53","Signaling by FGFR3 in disease","Interleukin-1 family signaling","Biosynth
esis of DHA-derived SPMs","Apoptotic cleavage of cellular proteins","Signaling by ROBO receptors","PTK6 Down-Regulation","Transcriptional Regulation by VENTX","Mitotic Metaphase and Anaphase","APC/C-m
ediated degradation of cell cycle proteins","Transcriptional Regulation by MECP2","RHO GTPases activate PKNs","Generation of second messenger molecules","Bile acid and bile salt metabolism","Platelet 
degranulation","L1CAM interactions","EPHB-mediated forward signaling","Post NMDA receptor activation events","The role of Nef in HIV-1 replication and disease pathogenesis","Signalling to ERKs","Leish
mania phagocytosis","EPHA-mediated growth cone collapse","Signaling downstream of RAS mutants","Centrosome maturation","Negative regulation of MAPK pathway","MyD88 cascade initiated on plasma membrane
","Imatinib-resistant PDGFR mutants","RUNX1 regulates transcription of genes involved in BCR signaling","Synthesis of PIPs at the plasma membrane","Gastrin-CREB signalling pathway via PKC and MAPK","S
ema4D in semaphorin signaling","FGFR1 mutant receptor activation","Dasatinib-resistant KIT mutants","Regulation of IFNA signaling","Toll Like Receptor TLR6:TLR2 Cascade",PI5P,"PP2A and IER3 Regulate P
I3K/AKT Signaling","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","FGFR2 mutant receptor activation","IRS-mediated signalling","Cyclin D associat
ed events in G1","VEGF binds to VEGFR leading to receptor dimerization","SARS-CoV-1 Genome Replication and Transcription","VEGFR2 mediated cell proliferation","Regulation of PTEN stability and activit
y","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","SMAD2/3 Phosphorylation Motif Mutants in Cancer","MyD88-independent TLR4 cascade","Interleukin-15 signaling","Regulation of TP53 Ac
tivity","Signaling by FGFR3 point mutants in cancer","Interleukin-1 signaling","Biosynthesis of maresins","Role of ABL in ROBO-SLIT signaling","Cyclin A/B1/B2 associated events during G2/M transition"
,"Signalling to ERK5","Interleukin receptor SHC signaling","Mitotic Anaphase","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of MECP2 expression and activit
y","CRMPs in Sema3A signaling","Synthesis of bile acids and bile salts","Interaction between L1 and Ankyrins","Long-term potentiation","Nef-mediates down modulation of cell surface receptors by recrui
ting them to clathrin adapters","Signalling to RAS","FCGR3A-mediated phagocytosis","Loss of proteins required for interphase microtubule organization from the centrosome","Negative feedback regulation
 of MAPK pathway","MAP kinase activation","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","Signaling by activated point mutants of FGFR1","Prolonged ERK acti
vation events","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Serotonin receptors","FCGR3A-mediated IL10 synthesis","Activated point mutants of FGFR2","PI3K Cascade","Replication of the SARS
-CoV-1 genome","TRIF(TICAM1)-mediated TLR4 signaling","Nef and signal transduction","Regulation of TP53 Activity through Phosphorylation","FGFR3 mutant receptor activation","Biosynthesis of maresin-li
ke SPMs","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Separation of Sister Chromatids","APC/C:Cdc20 mediated degradation of mitotic proteins","Nuclear
 Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nef Mediated CD4 Down-regulation","p38MAPK events","Loss of Nlp from mitotic centrosomes","activated 
TAK1 mediates p38 MAPK activation","Frs2-mediated activation","MAPK targets/ Nuclear events mediated by MAP kinases","ARMS-mediated activation","TRAF6-mediated induction of TAK1 complex within TLR4 co
mplex","Signaling by activated point mutants of FGFR3","Regulation of TP53 Degradation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Initi
ation of Nuclear Envelope (NE) Reformation","Activation of the AP-1 family of transcription factors","APC-Cdc20 mediated degradation of Nek2A"}

> <broad_targets>
{ABL1,ABL2,BLK,EPHA2,FGR,FRK,FYN,HCK,KIT,LCK,LYN,PDGFRB,SRC,SRMS,STAT5B,YES1}

> <broad_moa>
{"Bcr-Abl kinase inhibitor","ephrin inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor","SRC inhibitor","tyrosine kinase inhibitor"}

> <synonyms>
{Dasatinib,302962-49-8,302962498,Sprycel,BMS-354825,BMS354825,"BMS 354825","Dasatinib anhydrous","Dasatinib (anhydrous)","Dasatinib (BMS-354825)","Dasatinib (BMS354825)","anh. dasatinib",UNII-X78UG0A0
RN,UNIIX78UG0A0RN,"anhydrous dasatinib","dasatinib (anh.)",CHEMBL1421,X78UG0A0RN,CHEBI:49375,NSC732,T1448,T1448L,732517,S1021,"NSC 732517","Dasatinib monohydrate",dasatinib,DASATINIB}

> <pdid>
PD003446

> <targets>
{Abl/Src,c-Kit,Bcr-Abl,Src-bcr-Abl,SRC,Src,ABL,PDGFR,Apoptosis,Autophagy}

> <classes>
{BCR/ABL/Src inhibitor,Angiogenesis,Apoptosis,Autophagy,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{3062316}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 17 15  0  0  0  0            999 V2000
   11.4855   -3.3824    0.0000 H   0  3
    8.9855   -3.3824    0.0000 Cl  0  5
    6.4848   -8.2644    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 N   0  0
    5.1894   -6.0109    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 N   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  2  3
  6  7  1  0
  7  8  1  0
  7  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15488

> <plate>
PLATE 003

> <well>
D4

> <supplier_cmpd_name>
Phenformin hydrochloride

> <ctcr_id>
4077

> <supplier_cmpd_id>
T1453

> <smiles>
[H+].[Cl-].NC(N)=NC(N)=NCCc1ccccc1

> <pd_targets>
{TSHR,CYP2D26,HIF1A,CYP2D6,LMNA,MAPT,SLC22A1,SLC22A2,PRKAA1,KCNJ8}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Transcription factor","Other nuclear protein","Other cytosolic protein",Transporter,"Ion channel","Family A G protein-coupled receptor","Cytochrome P450","Electrochemical 
transporter",Kinase,"Voltage-gated ion channel","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","SLC superfamily of solute carriers","Protein Kinase","Potassium channels","Glycohormone r
eceptor","Cytochrome P450 family 2D","SLC22 family of organic cation and anion transporters","CAMK protein kinase group","Inwardly rectifying potassium channel","Cytochrome P450 2D2","Cytochrome P450 
2D6","CAMK protein kinase CAMK1 family","CAMK protein kinase AMPK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Ion channels","G protein-coupled receptors","Cytochrome P450","SLC superfamily of solute carriers","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Glycoprotein ho
rmone receptors","CYP2 family: drug metabolising subset","SLC22 family of organic cation and anion transporters","CAMK: Calcium/calmodulin-dependent protein kinases","Potassium channels","Organic cati
on transporters (OCT)","CAMK-like (CAMKL) family","Inwardly rectifying potassium channels","AMPK subfamily"}

> <pathway_reactome>
{Disease,"Cellular responses to external stimuli",Metabolism,"Cell Cycle","Neuronal System","Transport of small molecules","Gene expression (Transcription)","Infectious disease","Cellular responses to
 stress","Biological oxidations",Mitotic,"Transmission across Chemical Synapses","SLC-mediated transmembrane transport","RNA Polymerase II Transcription","Potassium Channels","Leishmania infection","C
ellular response to hypoxia","Phase I - Functionalization of compounds","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Transport of bile salts and organic acids","metal i
ons and amine compounds","Generic Transcription Pathway","Inwardly rectifying K+ channels","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor
 Alpha","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Organic cation/anion/zwitterion transport","Transcriptio
nal Regulation by TP53","ATP sensitive Potassium channels","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Mitotic Anaphase","Post NMDA receptor activation events","O
rganic cation transport","Regulation of TP53 Activity","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of
 NMDARs","Regulation of TP53 Activity through Phosphorylation","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AKOS026750110,"PHENFORMIN HYDROCHLORIDE",834-28-6,834286,"Phenformin HCl","Phenethylbiguanide hydrochloride",Meltrol,Dipar,Meltrol-50,Meltrol50,"1-Phenethylbiguanide hydrochloride","1Phenethylbiguani
de hydrochloride","Phenformin (hydrochloride)","USAF VI-6","USAF VI6","Imidodicarbonimidic di",S2542,1505983,Prestw-179,"Phenformin hydrochloride"}

> <pdid>
PD009649

> <targets>
{AMPK}

> <classes>
{antidiabetic}

> <pubchem_cids>
{657277,13266}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  3
  9  2  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15489

> <plate>
PLATE 003

> <well>
D5

> <supplier_cmpd_name>
Ciclopirox

> <ctcr_id>
4411

> <supplier_cmpd_id>
T1482

> <smiles>
CC1=CC(=O)N(O)C(=C1)C2CCCCC2

> <pd_targets>
{DOHH,APE1,HIF1A,PARP1,KDM4E,RORC,ALOX12,TP53,MAPK1,CYP1A2,LMNA,ATP1A1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Unclassified protein","Other nuclear protein",Transporter,Oxidoreductase,Protease,Transferase,Eraser,"Nuclear receptor",Kinase,"Cytochrome P450",
"Primary active transporter","Metallo protease","Lysine demethylase","Nuclear hormone receptor subfamily 1","Protein Kinase","Cytochrome P450 family 1","P-type ATPase","Metallo protease MH clan","Jumo
nji domain-containing","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Cytochrome P450 family 1A","Sodium potassium ATPase","Metallo protease M18 family","Nuclear hormone r
eceptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cytochrome P450 1A1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Poly ADP-ribose polymerases","Chromatin modifying enzymes","Nuclear hormone receptors","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Cytochrome P450","P-type ATPases",
"1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP1 family","P2C P-type ATPases","Mitogen-activated protein kinases
 (MAP kinases)",Na<sup>+</sup>/K<sup>+</sup>-ATPases,"ERK subfamily"}

> <pathway_reactome>
{"Metabolism of proteins","Cellular responses to external stimuli",Disease,"Gene expression (Transcription)",Metabolism,"Cell Cycle","Immune System","Post-translational protein modification","Cellular
 responses to stress","Infectious disease","RNA Polymerase II Transcription","Metabolism of lipids","Cell Cycle Checkpoints","Innate Immune System","Biological oxidations",Mitotic,"Gamma carboxylation
","hypusine formation and arylsulfatase activation","Cellular response to hypoxia","Influenza Infection","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","G1
/S DNA Damage Checkpoints","Toll-like Receptor Cascades","Phase I - Functionalization of compounds","M Phase","SARS-CoV Infections","Hypusine synthesis from eIF5A-lysine","Oxygen-dependent proline hyd
roxylation of Hypoxia-inducible Factor Alpha","Influenza Viral RNA Transcription and Replication","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","p53-Dependent G1/S DNA damag
e checkpoint","Toll Like Receptor 5 (TLR5) Cascade","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Potential therapeutics for SARS","vRNA Synthesis","RUNX3 Regulates 
Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","p53-Dependent G1 DNA Damage Response","MyD88 cascade initiated on plasma membrane",Xenobiotics,"Mitotic Anaphase","Biosynthesis of DP
An-3-derived maresins","Stabilization of p53","MAP kinase activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Autodegradation of the E3 u
biquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ATP1A1}

> <broad_moa>
{"membrane integrity inhibitor"}

> <synonyms>
{CICLOPIROX,29342-05-0,29342050,Loprox,"HOE 296b",Ciclopiroxum,"2(1H)-Pyridinone, 6-cyclohexyl-1-hydroxy-4-methyl-","2(1H)Pyridinone, 6cyclohexyl1hydroxy4methyl","Ciclopiroxum (INN-Latin)","Ciclopirox
um (INNLatin)",HOE-296b,HOE296b,6-cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one,6cyclohexyl1hydroxy4methylpyridin2(1H)one,6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one,6cyclohexyl1hydroxy4methylpyridi
n2one,6-Cyclohexyl-,6Cyclohexyl,T1482,S2528,Ciclopirox}

> <pdid>
PD003531

> <targets>
{Others,Autophagy,Bacterial,Ferroptosis,Fungal}

> <classes>
{Others,Anti-infection,Apoptosis,Autophagy}

> <pubchem_cids>
{2749}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 19  0  0  1  0            999 V2000
    1.0255   -3.6140    0.0000 N   0  0
    1.6332   -2.2426    0.0000 C   0  0
    3.1247   -2.0836    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -2.6408    0.8580    0.0000 C   0  0  2  0  0  0
   -3.7580   -0.1251    0.0000 O   0  0
   -5.0368    0.6589    0.0000 C   0  0  2  0  0  0
   -6.4199    0.0830    0.0000 C   0  0
   -6.6139   -1.4044    0.0000 O   0  0
   -4.6863    2.1174    0.0000 C   0  0  1  0  0  0
   -5.6602    3.2582    0.0000 O   0  0
   -3.1909    2.2347    0.0000 C   0  0  1  0  0  0
   -2.3989    3.5086    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  6
 11 12  1  0
 10 13  1  0
 13 14  1  1
 13 15  1  0
 15  8  1  0
 15 16  1  1
  7 17  1  0
 17  4  2  0
 17 18  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15490

> <plate>
PLATE 003

> <well>
D6

> <supplier_cmpd_name>
AICAR (Acadesine)

> <ctcr_id>
7173

> <supplier_cmpd_id>
T1477

> <smiles>
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N

> <pd_targets>
{KDM4E,MAPT}

> <pathway_gtopdb>
{"Epigenetic regulator","Other cytosolic protein",Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor 
activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{}

> <broad_moa>
{"AMPK activator"}

> <synonyms>
{ACADESINE,2627-69-2,2627692,AICAR,AICA-riboside,AICAriboside,Arasine,"AICA riboside",AIC-Riboside,AICRiboside,Acadesina,Acadesinum,"AICAR (Acadesine)",Protara,GP-1-110,GP1110,5-Amino-1-beta-D-ribofur
anosylimidazole-4-carboxamide,5Amino1betaDribofuranosylimidazole4carboxamide,UNII-53IEF47846,UNII53IEF47846,C9H14N4O5,5-Amino-1-beta-D-ribofuranosyl,5Amino1betaDribofuranosyl,S1802,Acadesine}

> <pdid>
PD000587

> <targets>
{AMPK}

> <classes>
{}

> <pubchem_cids>
{17513}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    6.4451   -1.8434    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    5.5231    4.9024    0.0000 Cl  0  0
    6.1382    2.3782    0.0000 C   0  0
    5.7171    0.9385    0.0000 C   0  0
    4.8054   -4.6666    0.0000 C   0  0
    6.2966   -4.8284    0.0000 O   0  0
    3.9195   -5.8781    0.0000 N   0  0
    4.5250   -7.2514    0.0000 N   0  0
    3.6414   -8.4636    0.0000 C   0  0
    4.2492   -9.8349    0.0000 C   0  0
    5.7408   -9.9941    0.0000 C   0  0
    6.6244   -8.7820    0.0000 C   0  0
    6.0165   -7.4107    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
 12 13  1  0
  5 14  1  0
 14  2  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
  3 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15491

> <plate>
PLATE 003

> <well>
D7

> <supplier_cmpd_name>
Rimonabant hydrochloride

> <ctcr_id>
2590

> <supplier_cmpd_id>
T1519

> <smiles>
Cc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(Cl)cc3)C(=O)NN4CCCCC4

> <pd_targets>
{GPR18,CNR1,CNR2,CYP1A2,LMNA,CYP2D6,CYP2C9,MAPT,CYP2C19,GPR55,NPSR1,CYP3A4,GSP1,KCNH2,FABP1,GSP2,ABCC4,ABCB11,ABCC1,ACHE}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other nuclear protein","Other cytosolic protein","Family A G protein-coupled receptor","Cytochrome P450","Small molecule receptor (family A GPCR)","Cytochrome P450 family 
1","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Lipid-like ligand receptor (family A GPCR)","Cytochrome P450 family 1A","Cytochrome P450 family 2D","Cytoch
rome P450 family 2C","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Cannabinoid receptor","Cytochrome P450 1A1","Cytochrome P450 2D6","Cytochrome P450 2C9","Cytochrome P450 2C19
","Lysophosphatidylinositol receptor","Neuropeptide receptor","Cytochrome P450 3A4","Ion channel","Auxiliary transport protein",Transporter,"Voltage-gated ion channel","Fatty acid binding protein fami
ly","Primary active transporter",Hydrolase,"Potassium channels","ATP-binding cassette","Voltage-gated potassium channel","ABCC subfamily","ABCB subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Orphan and other 7TM receptors","Cannabinoid receptors","CYP1 family","CYP2 family: drug metabolising subset","Neuropeptide S recept
or","CYP3 family","Class A Orphans","Ion channels","Other protein targets",Transporters,"Voltage-gated ion channels","Fatty acid-binding proteins","ATP-binding cassette transporter family","Acetylchol
ine turnover","Potassium channels","ABCC subfamily","ABCB subfamily","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Cell Cycle","Neuronal System",Disease,"Signaling by GPCR","Biological oxidations",Mitotic,"Transmission across Chemical Synapses","Infectious disease","Metabolism of
 lipids","GPCR downstream signalling","Phase I - Functionalization of compounds","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania infection","Biosynthesis of spe
cialized proresolving mediators (SPMs)","G alpha (i) signalling events","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic e
vents","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs",Xenobiotics,"Mitotic Anaphase","Post NMDA receptor activation events","Anti-inflammatory response favouring Leishman
ia parasite infection","Biosynthesis of maresins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","Activation of AMPK downstrea
m of NMDARs","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation","Muscle contraction",Hemostasis,"Cardiac co
nduction","Platelet activation","signaling and aggregation","Phase 3 - rapid repolarisation","Regulation of lipid metabolism by PPARalpha","Response to elevated platelet cytosolic Ca2+","Metabolism of
 steroids","Fatty acid metabolism","Phospholipid metabolism","PPARA activates gene expression","Platelet degranulation","Bile acid and bile salt metabolism","Arachidonic acid metabolism","Glycerophosp
holipid biosynthesis","Synthesis of bile acids and bile salts","Synthesis of Leukotrienes (LT) and Eoxins (EX)","Synthesis of PC","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"
}

> <broad_targets>
{CNR1,GPR55}

> <broad_moa>
{"cannabinoid receptor antagonist"}

> <synonyms>
{Rimonabant,168273-06-1,168273061,Acomplia,Zimulti,SR141716,"SR 141716",SR141716A,UNII-RML78EN3XE,UNIIRML78EN3XE,"A 281","Rimonabant free base","SR 141716A",SR-141716A,RML78EN3XE,CHEMBL111,"Rimonabant
 (SR141716)",SR-141716,Rimoslim,CHEBI:34967,NCGC00164572-01,NCGC0016457201,(3H)SR141716A,T1519L,T1915,T1519,S3021,AM251,"Rimonabant hydrochloride"}

> <pdid>
PD003150

> <targets>
{"Cannabinoid Receptor"}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{104850}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
    6.4451   -1.8434    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6017    2.9971    0.0000 O   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6061    6.0003    0.0000 C   0  0
   -2.6061    7.5003    0.0000 C   0  0
   -1.3071    8.2503    0.0000 C   0  0
   -1.3071    9.7503    0.0000 C   0  0
   -0.0080    7.5003    0.0000 C   0  0
    1.2933    8.2481    0.0000 N   0  0
    2.5920    7.4959    0.0000 C   0  0
    3.8936    8.2414    0.0000 N   0  0
    5.1901    7.4869    0.0000 C   0  0
    5.1849    5.9869    0.0000 C   0  0
    3.8833    5.2414    0.0000 C   0  0
    2.5869    5.9958    0.0000 N   0  0
    3.8782    3.7406    0.0000 C   0  0
    5.1735    2.9840    0.0000 C   0  0
    5.1659    1.4840    0.0000 C   0  0
    3.8632    0.7406    0.0000 C   0  0
    2.5679    1.4971    0.0000 N   0  0
    2.5754    2.9971    0.0000 C   0  0
   -0.0080    6.0003    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 C   0  0
   -3.8983   -0.7513    0.0000 F   0  0
   -2.5983   -3.0004    0.0000 F   0  0
   -3.8975   -2.2510    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 18 32  2  0
 32 13  1  0
  9 33  2  0
 33 34  1  0
 34 35  2  0
 35  7  1  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 36 39  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15492

> <plate>
PLATE 003

> <well>
D8

> <supplier_cmpd_name>
Nilotinib

> <ctcr_id>
1905

> <supplier_cmpd_id>
T1524

> <smiles>
Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)cc(c2)C(F)(F)F

> <pd_targets>
{ZAP70,DDR2,HCK,KCNH2,CA3,CA13,ABL1,BCR,STK10,NTRK2,MAPK10,RAF1,FGFR2,EPHB1,KIT,ABL2,EPHA3,TEK,CLK1,CSK,EPHA2,MAP3K20,SRC,PDGFRA,BLK,MAPK14,MAPK9,LYN,EPHB4,EPHA8,CLK4,BRAF,CA5A,CA4,JAK2,FLT3,DDR1,MAP2
K5,CA1,CA5B,CA2,CA9,CDC42BPB,FGR,PIP4K2C,MAP4K1,CSF1R,NTRK3,EPHA5,CDPK1,MAPK8,MAPK11,EPHB6,TIE1,RET,EPHA1,EPHA6,TAOK3,EPHB3,LCK,YES1,CA12,CA14,NQO2,TAOK1,CA6,MET,PDGFRB,EPHA4,FRK,CA7,CA15,EPHB2,TNNI3K
,MST1R,INSR,FYN,BMX,TYK2,FGFR1,CACNA1C,CACNA1D,CACNA1F,CACNA1S}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Unclassified protein",Kinase,"Voltage-gated ion channel",Lyase,Transferase,Oxidoreductase,"Protein Kinase","Potassium channels","Voltage-gated calcium channel","TK protein kinas
e group","Voltage-gated potassium channel","Atypical protein kinase group","STE protein kinase group","CMGC protein kinase group","TKL protein kinase group","AGC protein kinase group","Tyrosine protei
n kinase Syk family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Src family","Tyrosine protein kinase Abl family","Atypical protein kinase BCR family","STE protein kinase STE20 famil
y","Tyrosine protein kinase Trk family","CMGC protein kinase MAPK family","TKL protein kinase RAF family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase Eph family","Tyrosine protein k
inase PDGFR family","Tyrosine protein kinase Tie family","CMGC protein kinase CLK family","Tyrosine protein kinase Csk family","TKL protein kinase MLK family","Tyrosine protein kinase JakA family","ST
E protein kinase STE7 family","AGC protein kinase DMPK family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Met family","Tyrosine protein kinase InsR family","Tyrosine protein kinase 
Tec family","STE protein kinase SLK subfamily","CMGC protein kinase JNK subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase p38 subfamily","AGC protein kinase GEK subfamily","STE protei
n kinase KHS subfamily","STE protein kinase TAO subfamily","TKL protein kinase HH498 subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"Catalytic receptors","Voltage-gated ion channels","Carbonic anhydrases","Kinases (EC 2.7.x.x)","Receptor kinases","Potassium channels","STE: Homologs of yeast Steril
e 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","Lipid modifying kinases","TK: Tyrosine kinase","Voltage-gated potassium
 channels","STE20 family","Mitogen-activated protein kinases (MAP kinases)","TKL: Tyrosine kinase-like","CLK family","STE7 family","DMPK family","Type II PIP kinases (1-phosphatidylinositol-5-phosphat
e 4-kinase family)","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","SLK subfamily","JNK subfamily","RAF family","Mixed Lineage Kinase (MLK) family","p38 subfamily","GEK sub
family","KHS subfamily","TAO subfamily","Syk family","Type XVI RTKs: DDR (collagen receptor) family","Src family","Abl family","Type VII RTKs: Neurotrophin receptor/Trk family","Type V RTKs: FGF (fibr
oblast growth factor) receptor family","Type XIII RTKs: Ephrin receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Csk family
","MLK subfamily","Janus kinase (JakA) family","Type XIV RTKs: RET","Type X RTKs: HGF (hepatocyte growth factor) receptor family","HH498 subfamily","Type II RTKs: Insulin receptor family","Tec family"
}

> <pathway_reactome>
{"Immune System","Extracellular matrix organization",Disease,"Muscle contraction",Metabolism,"Signal Transduction","Developmental Biology","Gene expression (Transcription)","Transport of small molecul
es","Cell Cycle","Cellular responses to external stimuli","Adaptive Immune System","Non-integrin membrane-ECM interactions","Infectious disease","Cardiac conduction","Reversible hydration of carbon di
oxide","Innate Immune System","Signaling by Receptor Tyrosine Kinases","MAPK family signaling cascades","Diseases of signal transduction by growth factor receptors and second messengers","Nervous syst
em development","RNA Polymerase II Transcription","O2/CO2 exchange in erythrocytes",Mitotic,"Cytokine Signaling in Immune system","Cellular responses to stress","Biological oxidations","Intracellular 
signaling by second messengers","Metabolism of lipids","TCR signaling","HIV Infection","Phase 3 - rapid repolarisation","Leishmania infection","Neutrophil degranulation","Signaling by NTRKs","Toll-lik
e Receptor Cascades","MAPK1/MAPK3 signaling","Signaling by FGFR in disease","Axon guidance","Signaling by KIT in disease","Oncogenic MAPK signaling","Signaling by PDGFR in disease","Generic Transcript
ion Pathway","Erythrocytes take up carbon dioxide and release oxygen","Mitotic G1 phase and G1/S transition","Signaling by Insulin receptor","Signaling by Interleukins","Cellular response to hypoxia",
"Phase I - Functionalization of compounds","M Phase","PIP3 activates AKT signaling","Signaling by MST1","Phospholipid metabolism","Interferon Signaling","Generation of second messenger molecules","Hos
t Interactions of HIV factors","Parasite infection","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","RAF/MAP kinase cascade","Signaling by FGFR2 in disease","EPH-Ephrin signaling","D
rug resistance of KIT mutants","Signaling by ROBO receptors","Signaling by RAS mutants","Drug resistance of PDGFR mutants","Transcriptional regulation by RUNX1","Leishmania parasite growth and surviva
l","G1 Phase","Insulin receptor signalling cascade","Interleukin-12 family signaling","Regulation of gene expression by Hypoxia-inducible Factor","Transcriptional Regulation by TP53","Transcriptional 
Regulation by VENTX","Signaling by NTRK3 (TRKC)","RET signaling","Mitotic Metaphase and Anaphase","Semaphorin interactions","Negative regulation of the PI3K/AKT network","PTEN Regulation","PI Metaboli
sm","Interferon alpha/beta signaling","Signaling by FGFR1 in disease","The role of Nef in HIV-1 replication and disease pathogenesis","Leishmania phagocytosis","Activation of TRKA receptors","MyD88 ca
scade initiated on plasma membrane","Negative regulation of MAPK pathway","FGFR2 mutant receptor activation","EPHB-mediated forward signaling","Dasatinib-resistant KIT mutants","Role of ABL in ROBO-SL
IT signaling","EPHA-mediated growth cone collapse","Signaling downstream of RAS mutants","Signalling to ERKs","Imatinib-resistant PDGFR mutants","RUNX1 regulates transcription of genes involved in BCR
 signaling","Anti-inflammatory response favouring Leishmania parasite infection","Cyclin D associated events in G1","IRS-mediated signalling","Signalling to ERK5","Interleukin-12 signaling","Regulatio
n of TP53 Activity","Activated NTRK3 signals through PI3K","Mitotic Anaphase","Sema4D in semaphorin signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Regulation of PTEN stability and activi
ty","Synthesis of PIPs at the plasma membrane","Regulation of IFNA signaling","FGFR1 mutant receptor activation","Nef and signal transduction","FCGR3A-mediated phagocytosis","NGF-independant TRKA acti
vation","MAP kinase activation","Negative feedback regulation of MAPK pathway","Activated point mutants of FGFR2","Signalling to RAS","FCGR3A-mediated IL10 synthesis","Prolonged ERK activation events"
,"PI3K Cascade","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Regulation of TP53 Activity through Acetylation","Nef-mediates down modulation of cell surface rec
eptors by recruiting them to clathrin adapters","Separation of Sister Chromatids","Sema4D mediated inhibition of cell attachment and migration","Signaling by activated point mutants of FGFR1","MAPK ta
rgets/ Nuclear events mediated by MAP kinases","p38MAPK events","ARMS-mediated activation","PI5P Regulates TP53 Acetylation","Nef Mediated CD4 Down-regulation","Activation of the AP-1 family of transc
ription factors"}

> <broad_targets>
{ABL1,KIT}

> <broad_moa>
{"Abl kinase inhibitor","Bcr-Abl kinase inhibitor"}

> <synonyms>
{Nilotinib,641571-10-0,641571100,Tasigna,AMN107,"AMN 107",AMN-107,Nilotinib(AMN-107),Nilotinib(AMN107),"Nilotinib (AMN-107)","Nilotinib (AMN107)","Nilotinib free base",UNII-F41401512X,UNIIF41401512X,C
HEMBL255863,C28H22F3N7O,CHEBI:52172,Nilotinib-d6,Nilotinibd6,"641571-10-0 (free base)","641571100 (free base)",MFCD09833716,NSC747599,F41401512X,T1524,747599,S1033,"NSC 747599",nilotinib,NILOTINIB}

> <pdid>
PD003312

> <targets>
{Src-bcr-Abl,BCR-ABL,SRC}

> <classes>
{"BCR-ABL/c-kit/PDGF inhibitor"}

> <pubchem_cids>
{644241}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 47 46  0  0  1  0            999 V2000
    9.0983   -0.7368    0.0000 C   0  0
    7.8003   -1.4887    0.0000 O   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0  1  0  0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6078    5.9988    0.0000 C   0  0  2  0  0  0
   -3.9056    5.2465    0.0000 N   0  0
   -2.6109    7.4996    0.0000 C   0  0  1  0  0  0
   -1.3132    8.2519    0.0000 O   0  0
   -3.9118    8.2481    0.0000 C   0  0
   -3.9149    9.7490    0.0000 C   0  0  1  0  0  0
   -2.6180   10.5043    0.0000 C   0  0
   -2.6227   12.0043    0.0000 C   0  0
   -1.3163    9.7588    0.0000 C   0  0
   -5.2157   10.4975    0.0000 C   0  0
   -6.5134    9.7452    0.0000 O   0  0
   -5.2188   11.9983    0.0000 N   0  0
   -6.5196   12.7469    0.0000 C   0  0
   -6.5227   14.2477    0.0000 C   0  0
   -5.2222   13.5002    0.0000 C   0  0
   -5.2250   15.0000    0.0000 C   0  0
   -7.8235   14.9963    0.0000 C   0  0
   -9.1213   14.2440    0.0000 N   0  0
   -7.8266   16.4963    0.0000 O   0  0
   -2.6039    2.9994    0.0000 C   0  0
   -3.9032    3.7490    0.0000 C   0  0
   -2.6039    1.4994    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
   12.8990    8.2488    0.0000 O   0  0
   12.8990    6.7488    0.0000 C   0  0
   11.5997    5.9993    0.0000 O   0  0
   14.1990    5.9988    0.0000 C   0  0
   15.4989    6.7488    0.0000 C   0  0
   16.7989    5.9988    0.0000 C   0  0
   16.7989    4.4988    0.0000 O   0  0
   18.0982    6.7484    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 11 10  1  6
 11 12  1  0
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  6
 15 17  1  0
 18 17  1  6
 18 19  1  0
 19 20  1  0
 19 21  1  0
 18 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
 29 30  1  0
 29 31  2  0
 11 32  1  0
 32 33  1  0
 32 34  1  0
  9 35  2  0
 35 36  1  0
 36 37  2  0
 37  7  1  0
 37 38  1  0
 38 39  1  0
 40 41  1  0
 41 42  2  0
 41 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  1  0
 45 47  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15493

> <plate>
PLATE 003

> <well>
D9

> <supplier_cmpd_name>
Aliskiren hemifumarate

> <ctcr_id>
4084

> <supplier_cmpd_id>
T1520

> <smiles>
COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC.OC(=O)\C=C\C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Aliskiren fumarate",173334-58-2,173334582,"173334-58-2 (hemifumarate)","173334582 (hemifumarate)",1196835-68-3,1196835683,MFCD27756642,173334-57-1,173334571,CHEMBL1667,MLS006010401,HMS3264I19,Pharma
kon1600-01505710,Pharmakon160001505710,NSC759185,AKOS025149418,CCG-213555,CCG213555,NE31131,NSC-759185,"Aliskiren hemifum",T1520,1505710,"Aliskiren hemifumarate","ALISKIREN HEMIFUMARATE"}

> <pdid>

> <targets>
{}

> <classes>
{"renin inhibitor"}

> <pubchem_cids>
{9939627}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 13 12  0  0  0  0            999 V2000
    7.6894   -2.2554    0.0000 Na  0  3
    2.5909   -6.0056    0.0000 O   0  5
    3.8912   -5.2578    0.0000 C   0  0
    5.1887   -6.0105    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15494

> <plate>
PLATE 003

> <well>
D10

> <supplier_cmpd_name>
Sodium Phenylbutyrate

> <ctcr_id>
3284

> <supplier_cmpd_id>
T1535

> <smiles>
[Na+].[O-]C(=O)CCCc1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{PHENYLBUTYRAT,"Sodium 4-phenylbutyrate","Sodium 4phenylbutyrate","SODIUM PHENYLBUTYRATE",1716-12-7,1716127,"sodium 4-phenylbutanoate","sodium 4phenylbutanoate",Buphenyl,TriButyrate,Ammonaps,"Benzeneb
utanoic acid, sodium salt",sodium;4-phenylbutanoate,sodium;4phenylbutanoate,4PBA,"4-Phenylbutyric Acid Sodium Salt","4Phenylbutyric Acid Sodium Salt","4-phenylbutyric aci","4phenylbutyric aci",T1535,S
4125,1300040,"Sodium Phenylbutyrate",4-Phenylbutyrate}

> <pdid>

> <targets>
{HDAC}

> <classes>
{antihyperammonemic,"DNA Damage"}

> <pubchem_cids>
{5258}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 65 68  0  0  0  0            999 V2000
    1.9161   10.5654    0.0000 C   0  0
    3.3245   10.0492    0.0000 O   0  0
    3.5827    8.5707    0.0000 C   0  0
    2.4301    7.6108    0.0000 C   0  0
    2.6850    6.1326    0.0000 C   0  0
    4.0927    5.6144    0.0000 C   0  0
    5.2453    6.5743    0.0000 C   0  0
    4.9903    8.0525    0.0000 C   0  0
    6.1429    9.0124    0.0000 O   0  0
    1.5337    5.1698    0.0000 C   0  0
    1.7909    3.6911    0.0000 C   0  0
    3.1995    3.1753    0.0000 C   0  0
    0.6400    2.7300    0.0000 C   0  0
    0.8000    1.1200    0.0000 C   0  0
    2.0600    0.3500    0.0000 C   0  0
    1.8870   -1.1400    0.0000 O   0  0
    3.4300    0.8000    0.0000 C   0  0
    3.8662    2.2352    0.0000 C   0  0
    4.3600   -0.3900    0.0000 C   0  0
    5.8000   -0.4000    0.0000 C   0  0
    6.6151    0.8592    0.0000 C   0  0
    6.4400   -1.8000    0.0000 C   0  0
    7.9345   -1.9281    0.0000 O   0  0
    5.5100   -3.1600    0.0000 C   0  0
    4.0188   -3.2852    0.0000 O   0  0
    3.3799   -4.6424    0.0000 C   0  0
    6.5100   -4.2800    0.0000 C   0  0
    7.9504   -3.8613    0.0000 O   0  0
    6.2500   -5.8600    0.0000 C   0  0
    7.5042   -6.6827    0.0000 C   0  0
    4.8700   -6.7500    0.0000 C   0  0
    3.3400   -6.2300    0.0000 C   0  0
    2.3025   -7.3134    0.0000 C   0  0
    2.7800   -4.7900    0.0000 C   0  0
    1.1200   -4.8600    0.0000 C   0  0
    0.1200   -3.6900    0.0000 C   0  0
   -1.4100   -4.1500    0.0000 C   0  0
   -2.6300   -3.1700    0.0000 C   0  0
   -4.1200   -3.7800    0.0000 C   0  0
   -4.3154   -5.2672    0.0000 C   0  0
   -5.3700   -2.8300    0.0000 C   0  0
   -6.8600   -3.4400    0.0000 C   0  0
   -7.8600   -2.2400    0.0000 C   0  0
   -9.2500   -2.5000    0.0000 C   0  0
  -10.1800   -1.4400    0.0000 C   0  0
   -9.7100    0.0100    0.0000 C   0  0
  -10.7377    1.1027    0.0000 C   0  0
   -8.0800    0.4300    0.0000 C   0  0
   -8.4778    1.8763    0.0000 O   0  0
   -7.2300   -0.9300    0.0000 O   0  0
   -6.6100    0.8600    0.0000 C   0  0
   -5.5855   -0.2356    0.0000 O   0  0
   -6.1000    2.2500    0.0000 C   0  0
   -7.0129    3.4402    0.0000 O   0  0
   -4.5400    2.3900    0.0000 N   0  0
   -5.4800    3.8300    0.0000 C   0  0
   -4.8400    5.2900    0.0000 C   0  0
   -3.4600    5.5000    0.0000 C   0  0
   -2.6400    4.4900    0.0000 C   0  0
   -3.1200    3.1200    0.0000 C   0  0
   -1.9000    2.2900    0.0000 C   0  0
   -1.8545    0.7907    0.0000 O   0  0
   -0.7100    3.2100    0.0000 O   0  0
   -5.1674   -1.3437    0.0000 O   0  0
   -6.3526   -0.4242    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  2  3
 35 36  1  0
 36 37  2  3
 37 38  1  0
 38 39  2  3
 39 40  1  0
 39 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 48 50  1  0
 50 43  1  0
 48 51  1  0
 51 52  2  0
 51 53  1  0
 53 54  2  0
 53 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  1  0
 60 55  1  0
 60 61  1  0
 61 62  2  0
 61 63  1  0
 63 13  1  0
 41 64  1  0
 64 65  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15495

> <plate>
PLATE 003

> <well>
D11

> <supplier_cmpd_name>
Rapamycin

> <ctcr_id>
3116

> <supplier_cmpd_id>
T1537

> <smiles>
COC1CC(CCC1O)CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC

> <pd_targets>
{FKBP1B,MAPT,FFP,FTL,TGR,RORC,FKBP1A,MTOR,NR1I2,FKBP5,EIF4E,ATP2A1,PDCD4,CYP2C9,CYP3A4,SLCO1B1,ABCB1,CYP2C19,FGF2}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Unclassified protein","Transcription factor","Other nuclear protein",Transporter,"Secreted protein",Isomerase,Transferase,"Nuclear receptor",Kinase,"Primary active t
ransporter","Cytochrome P450","Electrochemical transporter","Nuclear hormone receptor subfamily 1","Protein Kinase","P-type ATPase","Cytochrome P450 family 2","Cytochrome P450 family 3","SLC superfami
ly of solute carriers","ATP-binding cassette","Nuclear hormone receptor subfamily 1 group F","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group I","Calcium ATPase","Cytochrome
 P450 family 2C","Cytochrome P450 family 3A","SLC21/SLCO family of organic anion transporting polypeptides","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein k
inase PIKK family","Nuclear hormone receptor subfamily 1 group I member 2","Cytochrome P450 2C9","Cytochrome P450 3A4","Cytochrome P450 2C19","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Peptidyl-prolyl cis/trans isomerases","Kinases (EC 2.7.x.x)","P-type ATPases","Cytochrome P450","SLC superfamily of solute carriers","ATP-b
inding cassette transporter family","1F. Retinoic acid-related orphans",Atypical,"1I. Vitamin D receptor-like receptors","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","CYP2 family: drug metabolising s
ubset","CYP3 family","SLCO family of organic anion transporting polypeptides","ABCB subfamily","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Muscle contraction","Neuronal System","Vesicle-mediated transport","Gene expression (Transcription)",Disease,"Metabolism of proteins",Hemostasis,"Immune System",Metabolism,"Cardiac conduction","Tran
smission across Chemical Synapses","Membrane Trafficking","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Post-translational prote
in modification",Translation,"Platelet homeostasis","Cytokine Signaling in Immune system","Biological oxidations","Metabolism of lipids","Abacavir transport and metabolism","Ion homeostasis","Neurotra
nsmitter receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","Signaling by TGF-beta Receptor Complex in Cancer",SUMOylation,"Eukaryoti
c Translation Initiation","Platelet calcium homeostasis","Signaling by Interleukins","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism 
of steroids","Abacavir transmembrane transport","Signaling by FGFR in disease","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis","Transcriptional regulation 
by RUNX3","Loss of Function of TGFBR1 in Cancer","Transcriptional Regulation by TP53","SUMO E3 ligases SUMOylate target proteins","Transcriptional Regulation by MECP2","Cap-dependent Translation Initi
ation","Reduction of cytosolic Ca++ levels","Interleukin-12 family signaling","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Bile acid and bile salt metabolism","Si
gnaling by FGFR3 in disease","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","TGFBR1 LBD Mutants in Cancer","Regulation of TP53 Activity","SUMOylation of in
tracellular receptors","MECP2 regulates neuronal receptors and channels","Activation of the mRNA upon binding of the cap-binding complex and eIFs","and subsequent binding to 43S","Interleukin-12 signa
ling",Xenobiotics,"Biosynthesis of maresins","Recycling of bile acids and salts","Signaling by FGFR3 point mutants in cancer","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression a
nd Degradation","Translation initiation complex formation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","
FGFR3 mutant receptor activation","Regulation of TP53 Degradation","Signaling by activated point mutants of FGFR3"}

> <broad_targets>
{FKBP1A,MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{(RS)-rapamycin,(RS)rapamycin,"Rapamycin (Sirolimus)",28-epi-Rapamycin,28epiRapamycin,253431-35-5,253431355,SpecPlus_000840,SpecPlus000840,SpecPlus-000840,"SpecPlus 000840",DivK1c_006936,DivK1c006936,
DivK1c-006936,"DivK1c 006936","Rapamycin-d3 (Sirolimus-d3)","Rapamycind3 (Sirolimusd3)",CHEMBL3560003,KBio1_001880,KBio1001880,KBio1-001880,"KBio1 001880",HMS3265I15,HMS3265I16,HMS3265J15,HMS3265J16,3
92711-19-2,392711192,MCULE-7980881185,MCULE7980881185,Q27163,"EMD 553210",S1039,A-275,553210,Rapamycin(Sirolimus),Rapamycin}

> <pdid>
PD003274

> <targets>
{mTOR}

> <classes>
{}

> <pubchem_cids>
{5040}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.1996   -1.4928    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.5205   -6.1100    0.0000 S   0  0
   -2.0570   -7.5366    0.0000 C   0  0
   -0.5570   -7.5366    0.0000 C   0  0
   -0.0934   -6.1100    0.0000 N   0  0
   -2.9351   -8.7506    0.0000 N   0  3
   -4.4272   -8.5964    0.0000 O   0  5
   -2.3230  -10.1200    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 14  2  0
 16 19  1  0
 19 20  1  0
 19 21  2  0
M  CHG  2  19   1  20  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15496

> <plate>
PLATE 003

> <well>
E2

> <supplier_cmpd_name>
Nitazoxanide

> <ctcr_id>
2715

> <supplier_cmpd_id>
T1546

> <smiles>
CC(=O)Oc1ccccc1C(=O)Nc2sc(cn2)[N+]([O-])=O

> <pd_targets>
{HTT,RORC,ALD,KMT2A,MEN1,NPC1,TP53,MAPT,PKM,FFP,AKR1B1,SMN1,CYP3A4,LMNA,TSHR,ALDH1A1,HSD17B10,NPSR1,RAB9A,PYK,LEF,MAPK1,PFOR}

> <pathway_gtopdb>
{"Unclassified protein","Transcription factor",Enzyme,"Epigenetic regulator",Transporter,"Other cytosolic protein","Other nuclear protein","Membrane receptor","Nuclear receptor",Reader,Transferase,Oxi
doreductase,"Cytochrome P450","Family A G protein-coupled receptor",Hydrolase,Protease,Kinase,"Nuclear hormone receptor subfamily 1",Bromodomain,"Methyl-lysine/arginine binding protein","Cytochrome P4
50 family 3","Peptide receptor (family A GPCR)","Metallo protease","Protein Kinase","Nuclear hormone receptor subfamily 1 group F","Tudor domain","Cytochrome P450 family 3A","Glycohormone receptor","S
hort peptide receptor (family A GPCR)","Metallo protease MAE clan","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Neuropeptide receptor","Me
tallo protease M34 family","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Nuclear hormone receptors","SLC superfamily of solute carriers","2.7.1.40 Pyruvate kinases","1.-.-.- Oxidoreductases","Cytochrome P450","G protein-coupled receptors","
Kinases (EC 2.7.x.x)","1F. Retinoic acid-related orphans","SLC65 NPC-type cholesterol transporters","CYP3 family","Glycoprotein hormone receptors","Neuropeptide S receptor","CMGC: Containing CDK",MAPK
,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Transport of small molecules","Cell Cycle","Neuronal System",Metabolism,"Metabolism of RNA",Disease,"Signal Transduction","Immune System","RNA Polymerase II Transcr
iption","Plasma lipoprotein assembly",remodeling,"and clearance","Cell Cycle Checkpoints","Transmission across Chemical Synapses","Metabolism of carbohydrates","Metabolism of lipids","Metabolism of no
n-coding RNA",Mitotic,"Infectious disease","Biological oxidations","Metabolism of amino acids and derivatives","Signaling by Rho GTPases","Innate Immune System","Generic Transcription Pathway","Plasma
 lipoprotein clearance","G1/S DNA Damage Checkpoints","Neurotransmitter receptors and postsynaptic signal transmission","Glucose metabolism","Metabolism of steroids","snRNP Assembly","Biosynthesis of 
specialized proresolving mediators (SPMs)","M Phase","Leishmania infection","Phase I - Functionalization of compounds","Branched-chain amino acid catabolism","Rho GTPase cycle","Uptake and actions of 
bacterial toxins","Toll-like Receptor Cascades","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","LDL clearance","p53-Dependent G1/S DNA damage checkpoint","Activation of NM
DA receptors and postsynaptic events",Glycolysis,"Metabolism of steroid hormones","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Ethanol
 oxidation","RHOBTB GTPase Cycle","Uptake and function of anthrax toxins","Toll Like Receptor 5 (TLR5) Cascade","Regulation of MECP2 expression and activity","RUNX3 Regulates Immune Response and Cell 
Migration","p53-Dependent G1 DNA Damage Response","Post NMDA receptor activation events","Pregnenolone biosynthesis","Biosynthesis of maresins","Mitotic Anaphase","Anti-inflammatory response favouring
 Leishmania parasite infection","RHOBTB3 ATPase cycle","MyD88 cascade initiated on plasma membrane","Stabilization of p53","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs"
,"Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","MAP kinase activation","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope 
(NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"pyruvate ferredoxin oxidoreductase inhibitor"}

> <synonyms>
{NITAZOXANIDE,55981-09-4,55981094,Alinia,Nitazoxamide,"2-((5-nitrothiazol-2-yl)carbamoyl)phenyl acetate","2((5nitrothiazol2yl)carbamoyl)phenyl acetate",Daxon,"Nitazoxanidum (INN-Latin)","Nitazoxanidum
 (INNLatin)","Nitazoxanida (INN-Spanish)","Nitazoxanida (INNSpanish)","Benzamide, 2-(acetyloxy)-N-(5-nitro-2-thiazolyl)-","Benzamide, 2(acetyloxy)N(5nitro2thiazolyl)",2-((5-nitro-1,2((5nitro1,3-thiazo
l-2-yl)ca,3thiazol2yl)ca,T1546,SAM001246708,Nitazoxanide,CPD000466367}

> <pdid>
PD000850

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{41684}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 34 38  0  0  0  0            999 V2000
    4.4991   -8.4771    0.0000 O   0  0
    3.8490   -7.1253    0.0000 C   0  0
    4.6946   -5.8864    0.0000 C   0  0
    4.0445   -4.5346    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.7031   -5.6606    0.0000 C   0  0
    2.3532   -7.0124    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    0.3114   -2.9665    0.0000 S   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.3452   -0.0184    0.0000 O   0  0
    4.8823   -2.5608    0.0000 C   0  0
    6.3506   -2.2538    0.0000 C   0  0
    7.3506   -3.3718    0.0000 C   0  0
    6.8824   -4.7969    0.0000 C   0  0
    7.8807   -5.9176    0.0000 O   0  0
    7.4102   -7.3427    0.0000 C   0  0
    8.4085   -8.4634    0.0000 C   0  0
    7.9380   -9.8886    0.0000 N   0  0
    8.9341  -11.0101    0.0000 C   0  0
    8.4610  -12.4335    0.0000 C   0  0
    6.9917  -12.7355    0.0000 C   0  0
    5.9956  -11.6141    0.0000 C   0  0
    6.4687  -10.1906    0.0000 C   0  0
    5.4142   -5.1039    0.0000 C   0  0
    4.4141   -3.9859    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
 17  8  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 27  1  0
 23 33  1  0
 33 34  2  0
 34 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15497

> <plate>
PLATE 003

> <well>
E3

> <supplier_cmpd_name>
Raloxifene hydrochloride

> <ctcr_id>
4185

> <supplier_cmpd_id>
T1549

> <smiles>
Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4

> <pd_targets>
{ESR1,MAPT,FFP,ALOX15,TP53,UBE2N,ESR2,LMNA,ALDH1A1,AMPC,NPSR1,FTL,HTT,LEF,BLM,NFO,NS1,HSD17B10,RORC,PMP22,GMNN,KMT2A,CYP3A4,HLA-A,MEN1,AOX1,PLD1,CYP2D6,ADRA1A,C5,CYP2C19,CYP2C9,NFKB1,HTR1B,GPER1,EBP,T
HPO,SIGMAR1,ERG2,TSHR,CHRM1,PLD2,ADRA1B,RECQL,NR1H4,HTR2B,ADRA2B,DRD3,TACR2,MTOR,SLC6A3,OPRD1,FYN,SLC6A4,NR1I2,ACHE,ADRA1D,OPRK1,OPRM1,HTR2C,ADRA2A,ADRA2C,HTR2A,SLC6A2,DRD2,HTR6,ADORA2A}

> <pathway_gtopdb>
{"Transcription factor","Other cytosolic protein",Enzyme,"Other nuclear protein","Membrane receptor","Unclassified protein","Epigenetic regulator","Surface antigen","Secreted protein",Transporter,"Nuc
lear receptor",Transferase,Oxidoreductase,Aminoacyltransferase,Hydrolase,"Family A G protein-coupled receptor",Protease,Reader,"Cytochrome P450",Isomerase,Kinase,"Electrochemical transporter","Nuclear
 hormone receptor subfamily 3","Peptide receptor (family A GPCR)","Metallo protease","Nuclear hormone receptor subfamily 1",Bromodomain,"Cytochrome P450 family 3","Cytochrome P450 family 2","Small mol
ecule receptor (family A GPCR)","Cysteine protease","Protein Kinase","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 3 group A","Short peptide receptor (family A GPCR)","Metal
lo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Monoamine receptor","Cytochrome P450 family 2C","Cysteine protease CA clan
","Lipid-like ligand receptor (family A GPCR)","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group H","Atypical protein kinase group","SLC06 neurotransmitter transporter family","TK pr
otein kinase group","Nuclear hormone receptor subfamily 1 group I","Nucleotide-like receptor (family A GPCR)","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamil
y 3 group A member 2","Neuropeptide receptor","Metallo protease M34 family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cytochrome P450 2D6","Adrenergic receptor","C
ytochrome P450 2C19","Cytochrome P450 2C9","Cysteine protease C1A family","Serotonin receptor","Steroid-like ligand receptor","Acetylcholine receptor","Nuclear hormone receptor subfamily 1 group H mem
ber 4","Dopamine receptor","Neurokinin receptor","Atypical protein kinase PIKK family","Opioid receptor","Tyrosine protein kinase Src family","Nuclear hormone receptor subfamily 1 group I member 2","A
denosine receptor","Atypical protein kinase FRAP subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"Nuclear hormone receptors","Eicosanoid turnover","G protein-coupled receptors","Chromatin modifying enzymes","Cytochrome P450","Glycerophosphol
ipid turnover","Sigma receptors","Kinases (EC 2.7.x.x)","SLC superfamily of solute carriers","Catalytic receptors","Acetylcholine turnover","Steroid hormone receptors",Lipoxygenases,"Neuropeptide S re
ceptor","1F. Retinoic acid-related orphans","2.1.1.43 Histone methyltransferases (HMTs)","CYP3 family","Phosphatidylcholine-specific phospholipase D","CYP2 family: drug metabolising subset",Adrenocept
ors,"5-Hydroxytryptamine receptors","G protein-coupled estrogen receptor","Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","1H. Liver X receptor-like receptors","Dopamine recept
ors","Tachykinin receptors",Atypical,"SLC6 neurotransmitter transporter family","Opioid receptors","Receptor kinases","1I. Vitamin D receptor-like receptors","Adenosine receptors","3A. Estrogen recept
ors","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Monoamine transporter subfamily","TK: Tyrosine kinase","FRAP subfamily","Non-receptor tyrosine kinases (nRTKs)","Src family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Neuronal System",Metabolism,"Cell Cycle","Immune System","Signal Transduction",Disease,"Vesicle-mediated transport","DNA Repair","Developmental Biology",Hemostasis,
"Metabolism of proteins","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Metabolism of lipids","Cell Cycle Checkpoints","Innate Immune System","Intracellular signaling by se
cond messengers",Mitotic,"Biological oxidations","Infectious disease","Membrane Trafficking","DNA Double-Strand Break Repair","Metabolism of amino acids and derivatives","Nervous system development","
Adaptive Immune System","Metabolism of vitamins and cofactors","Signaling by GPCR","Cytokine Signaling in Immune system","Platelet activation","signaling and aggregation","Disorders of transmembrane t
ransporters","Post-translational protein modification","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving media
tors (SPMs)","G1/S DNA Damage Checkpoints","Toll-like Receptor Cascades","PIP3 activates AKT signaling","M Phase","Phase I - Functionalization of compounds","Leishmania infection","trans-Golgi Network
 Vesicle Budding","Uptake and actions of bacterial toxins","Homology Directed Repair","Branched-chain amino acid catabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Mitotic G
1 phase and G1/S transition","Class I MHC mediated antigen processing & presentation","Metabolism of water-soluble vitamins and cofactors","Phospholipid metabolism","GPCR ligand binding","Signaling by
 Interleukins","Metabolism of steroids","Platelet Aggregation (Plug Formation)","SARS-CoV Infections","SLC transporter disorders","HIV Infection","Neurotransmitter clearance",SUMOylation,"GPCR downstr
eam signalling","Transcriptional regulation by RUNX1","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DPA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Toll Like Re
ceptor 4 (TLR4) Cascade","Negative regulation of the PI3K/AKT network","Mitotic Metaphase and Anaphase","Ethanol oxidation","Leishmania parasite growth and survival","Golgi Associated Vesicle Biogenes
is","Transcriptional Regulation by MECP2","Uptake and function of anthrax toxins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3","G
1/S Transition","Biosynthesis of DHA-derived SPMs","Antigen processing-Cross presentation","Vitamins B6 activation to pyridoxal phosphate","Glycerophospholipid biosynthesis","Cytochrome P450 - arrange
d by substrate type","Class A/1 (Rhodopsin-like receptors)","Interleukin-1 family signaling","Cholesterol biosynthesis","Potential therapeutics for SARS","Bile acid and bile salt metabolism","Transcri
ptional Regulation by TP53","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Host Interactions of HIV factors","Serotonin clearance from the synaptic cleft","SUMO E3 ligases SUMOylat
e target proteins","G alpha (i) signalling events","Defective SLC6A2 causes orthostatic intolerance (OI)","RUNX1 regulates estrogen receptor mediated transcription","Post NMDA receptor activation even
ts","Biosynthesis of DPAn-3 SPMs","p53-Dependent G1 DNA Damage Response","MyD88-independent TLR4 cascade",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Mitotic Anaphase","Anti-inflammatory respons
e favouring Leishmania parasite infection","Regulation of MECP2 expression and activity","HDR through Homologous Recombination (HRR)","RUNX3 Regulates Immune Response and Cell Migration","Activation o
f the pre-replicative complex","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Biosynthesis of maresins","Endosomal/Vacuolar pathway","Synthesis of PA",Xenobio
tics,"Amine ligand-binding receptors","Peptide ligand-binding receptors","Interleukin-1 signaling","Cholesterol biosynthesis via desmosterol","Synthesis of bile acids and bile salts","Regulation of TP
53 Activity","The role of Nef in HIV-1 replication and disease pathogenesis","SUMOylation of intracellular receptors","Synthesis of PC","MECP2 regulates neuronal receptors and channels","Opioid Signal
ling","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins and resolvins","Stabilization of p53","TRIF(TICAM1)-mediated TLR4 signaling","Nuclear Envelope (NE) Reassembl
y","ADORA2B mediated anti-inflammatory cytokines production","Homologous DNA Pairing and Strand Exchange","Biosynthesis of maresin-like SPMs","CYP2E1 reactions",Adrenoceptors,"MAP3K8 (TPL2)-dependent 
MAPK1/3 activation","Serotonin receptors","Muscarinic acetylcholine receptors","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Dopamine receptors","Tachykinin receptors bind tachyk
inins","Regulation of TP53 Expression and Degradation","Nef and signal transduction","G-protein activation","Autodegradation of the E3 ubiquitin ligase COP1","IKK complex recruitment mediated by RIP1"
,"Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation"}

> <broad_targets>
{ESR1,ESR2}

> <broad_moa>
{"estrogen receptor antagonist","selective estrogen receptor modulator (SERM)"}

> <synonyms>
{raloxifene,84449-90-1,84449901,Keoxifene,Evista,"Raloxifenum (Latin)","Raloxifeno (Spanish)",Raloxifenum,Raloxifeno,"LY 139481",LY-139481,LY139481,UNII-YX9162EO3I,UNIIYX9162EO3I,Optruma,CHEMBL81,"Keo
xifene; LY 139481;",CHEBI:8772,YX9162EO3I,RAL,"Raloxifene (INN:BAN)",T1549,747974,"NSC 747974","Raloxifene hydrochloride",Raloxifene}

> <pdid>
PD004108

> <targets>
{}

> <classes>
{SERM}

> <pubchem_cids>
{5035}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 34 34  0  0  0  0            999 V2000
    3.9051    0.7424    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    5.1965   -1.5117    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1887   -6.0105    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 I   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -3.9056    5.2465    0.0000 O   0  0
   -2.6109    7.4996    0.0000 C   0  0
   -3.9111    8.2477    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 I   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -2.5908   -6.0056    0.0000 O   0  0
   -5.1894   -6.0109    0.0000 C   0  0
   -5.1872   -7.5109    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 I   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  4 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 13 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 24 33  2  0
 33 10  1  0
 33 34  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15498

> <plate>
PLATE 003

> <well>
E4

> <supplier_cmpd_name>
Iohexol

> <ctcr_id>
5358

> <supplier_cmpd_id>
T1554

> <smiles>
CC(=O)N(CC(O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I

> <pd_targets>
{HIF1A}

> <pathway_gtopdb>
{"Transcription factor"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cellular responses to external stimuli","Cellular responses to stress","Cellular response to hypoxia","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha"}

> <broad_targets>
{}

> <broad_moa>
{"radiopaque medium"}

> <synonyms>
{RESTW51,iohexol,66108-95-0,66108950,Omnipaque,Nycodenz,Exypaque,Iohexolum,"Omnipaque 240","Omnipaque 70","Omnipaque 140","Omnipaque 180","Omnipaque 210","Omnipaque 300","Omnipaque 350","WIN 39424",UN
II-4419T9MX03,UNII4419T9MX03,CHEBI:31709,WIN-39424,WIN39424,4419T9MX03,NCGC00166000-01,NCGC0016600001,T1554,Prestw-512,Iohexol}

> <pdid>
PD009532

> <targets>
{Autophagy,Mitophagy}

> <classes>
{Autophagy}

> <pubchem_cids>
{3730}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -9.0975    0.7432    0.0000 O   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -6.4995    5.2432    0.0000 O   0  0
   -5.2004    2.9933    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 10  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15499

> <plate>
PLATE 003

> <well>
E5

> <supplier_cmpd_name>
Resveratrol

> <ctcr_id>
2636

> <supplier_cmpd_id>
T1558

> <smiles>
Oc1ccc(cc1)/C=C/c2cc(O)cc(O)c2

> <pd_targets>
{MAOB,APP,CYP1B1,RELA,DPP4,CYP19A1,CA2,CA4,KDM4E,STK33,TYR,POLB,MAL12,MAPT,RORC,ALDH1A1,HPGD,TP53,HTT,GFER,MAOA,NQO2,PTGS2,PTGS1,CA6,CA12,CA7,CA15,SIRT1,TTR,CA3,CA14,LMNA,RAB9A,SMN1,HIF1A,BLM,CYP3A4,H
SD17B10,KMT2A,MEN1,AKR1B1,ADRA1D,VACV_BRZ_SERRO2_026,PPO2,CA5B,CA13,AMPC,GAA,PRKCZ,NPC1,PAK1,PPARG,AHR,CA9,CA5A,CA1,PMP22,KDM1A,PYK,NFKB1,NFKB2,CYP1A1,PIK3CB,TRPA1,MTOR,PIK3CA,NOS2,SLC6A2,CYP2C19,ABCB
1,ODC1,CYP1A2,CYP2C9,ABL1,BCR,MYC,ESR1,TERT,NFE2L2,ALOX5,CBR1,AKT1,YARS1,CYP2D6,LEF,THPO,ALOX15,PKM,USP2}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Transcription factor","Epigenetic regulator","Other cytosolic protein","Unclassified protein","Secreted protein","Other nuclear protein",Transporter,"Ion channel",Oxidored
uctase,"Cytochrome P450",Protease,Lyase,Eraser,Kinase,Hydrolase,"Nuclear receptor",Reader,"Family A G protein-coupled receptor",Transferase,"Voltage-gated ion channel","Electrochemical transporter","P
rimary active transporter",Ligase,"Cytochrome P450 family 1","Serine protease","Cytochrome P450 family 19","Lysine demethylase","Protein Kinase","Nuclear hormone receptor subfamily 1","Histone deacety
lase","Methyl-lysine/arginine binding protein","Cytochrome P450 family 3",Bromodomain,"Small molecule receptor (family A GPCR)","Transient receptor potential channel","SLC superfamily of solute carrie
rs","Cytochrome P450 family 2","ATP-binding cassette","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 1B","Serine protease SC clan","Cytochrome P450 family 19A","Jumonji domain-containi
ng","CAMK protein kinase group","Nuclear hormone receptor subfamily 1 group F","HDAC class III","Tudor domain","Cytochrome P450 family 3A","Monoamine receptor","AGC protein kinase group","STE protein 
kinase group","Nuclear hormone receptor subfamily 1 group C","Lysine-specific demethylase","Cytochrome P450 family 1A","Atypical protein kinase group","SLC06 neurotransmitter transporter family","Cyto
chrome P450 family 2C","ABCB subfamily","Nuclear hormone receptor subfamily 3 group A","Cytochrome P450 1B1","Serine protease S9B subfamily","Cytochrome P450 19A1","CAMK protein kinase unique family",
"Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Adrenergic receptor","AGC protein kinase PKC family","STE protein kinase STE20 family","Nuclear hormone receptor subfamil
y 1 group C member 3","Cytochrome P450 1A1","Atypical protein kinase PIKK family","Cytochrome P450 2C19","Cytochrome P450 2C9","Atypical protein kinase BCR family","Nuclear hormone receptor subfamily 
3 group A member 1","AGC protein kinase AKT family","AGC protein kinase PKC iota subfamily","STE protein kinase PAKA subfamily","Atypical protein kinase FRAP subfamily","Metallo protease","Cysteine pr
otease","Cytochrome P450 family 2D","Metallo protease MAE clan","Cysteine protease CA clan","Cytochrome P450 2D6","Metallo protease M34 family","Cysteine protease C19 family"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Ion channels","Catecholamine turnover","Cytochrome P450","Peptidases and proteinases","Carbonic anhydrases","Chromatin modifying enzymes","Kina
ses (EC 2.7.x.x)","1.-.-.- Oxidoreductases","Nuclear hormone receptors","Eicosanoid turnover",Transthyretin,"G protein-coupled receptors","3.2.1.- Glycosidases","SLC superfamily of solute carriers","A
ryl hydrocarbon receptor","Voltage-gated ion channels","L-Arginine turnover","ATP-binding cassette transporter family","Carboxylases and decarboxylases","Transcription factors","CYP1 family","SC: Seri
ne (S) Peptidases",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","1.14.11.- Histone demethylases","CAMK: Calcium/calmodulin-dependent protein kinases","1F. Retinoic acid-related orphans","Prostaglandin
 synthases",Cyclooxygenase,"3.5.1.- Histone deacetylases (HDACs)","CYP3 family",Adrenoceptors,"AGC: Containing PKA",PKG,"PKC families","SLC65 NPC-type cholesterol transporters","STE: Homologs of yeast
 Sterile 7","Sterile 11","Sterile 20 kinases","1C. Peroxisome proliferator-activated receptors","Lipid modifying kinases","Transient Receptor Potential channels",Atypical,"Nitric oxide synthases","SLC
6 neurotransmitter transporter family","CYP2 family: drug metabolising subset","ABCB subfamily",Decarboxylases,"Steroid hormone receptors","Basic leucine zipper domain TFs",Lipoxygenases,"S9: Prolyl o
ligopeptidase","CAMK-unique family","Protein kinase C (PKC) family","STE20 family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) famil
y","Monoamine transporter subfamily","3A. Estrogen receptors","Akt (Protein kinase B","PKB) family","Iota subfamily","PAKA subfamily","FRAP subfamily","2.7.1.40 Pyruvate kinases","CA: Cysteine (C) Pep
tidases","C19: Ubiquitin-specific protease"}

> <pathway_reactome>
{Metabolism,"Immune System","Metabolism of proteins","Transport of small molecules","DNA Repair","Neuronal System","Gene expression (Transcription)","Cell Cycle","Protein localization","Signal Transdu
ction","Metabolism of RNA","Cellular responses to external stimuli",Disease,"Developmental Biology","Biological oxidations","Innate Immune System","Peptide hormone metabolism","O2/CO2 exchange in eryt
hrocytes","Metabolism of amino acids and derivatives","Base Excision Repair","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Metabolism of lipids","Cell Cycle Checkpoints","
Mitochondrial protein import","Reversible hydration of carbon dioxide","Signaling by GPCR",Mitotic,"Signaling by Rho GTPases","Metabolism of non-coding RNA","Cellular responses to stress","DNA Double-
Strand Break Repair","Diseases of metabolism","Signaling by Nuclear Receptors","Plasma lipoprotein assembly",remodeling,"and clearance","Nervous system development","Cytokine Signaling in Immune syste
m","Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases","Ion channel transport","Diseases of signal transduction by growth factor receptors and second messengers","I
nfectious disease","Disorders of transmembrane transporters","Abacavir transport and metabolism","Chromosome Maintenance",Translation,"Phase I - Functionalization of compounds","Toll-like Receptor Cas
cades","Incretin synthesis",secretion,"and inactivation","Erythrocytes take up carbon dioxide and release oxygen","Melanin biosynthesis","Resolution of Abasic Sites (AP sites)","Neurotransmitter recep
tors and postsynaptic signal transmission","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","G1/S DNA Damage Checkpoints","Fatty acid metabolism","GPCR downs
tream signalling","M Phase","Rho GTPase cycle","snRNP Assembly","Cellular response to hypoxia","Homology Directed Repair","Branched-chain amino acid catabolism","Metabolism of steroids","GPCR ligand b
inding","Diseases of carbohydrate metabolism","ESR-mediated signaling","Plasma lipoprotein clearance","Axon guidance","Signaling by Interleukins","EGR2 and SOX10-mediated initiation of Schwann cell my
elination","PIP3 activates AKT signaling","Signaling by Insulin receptor","Stimuli-sensing channels","Signaling by FGFR in disease","Infection with Mycobacterium tuberculosis","SLC transporter disorde
rs","Abacavir transmembrane transport","Metabolism of polyamines","Mitotic G1 phase and G1/S transition","Telomere Maintenance","tRNA Aminoacylation","Amine Oxidase reactions","Toll Like Receptor 5 (T
LR5) Cascade","Cytochrome P450 - arranged by substrate type",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","Resolution of AP sites via the multiple-nucleotide patch replacement pathw
ay","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Tran
scriptional Regulation by MECP2","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","FOXO-mediated transcription","G alpha (i) signalling events","Mitotic Metaphase and Anaphase","RHOBTB
 GTPase Cycle","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Metabolism of steroid hormones"
,"Class A/1 (Rhodopsin-like receptors)","Glycogen storage diseases","Extra-nuclear estrogen signaling","LDL clearance","EPH-Ephrin signaling","Regulation of gene expression by Hypoxia-inducible Factor
","Interleukin-12 family signaling","PTEN Regulation","Insulin receptor signalling cascade","TRP channels","Transcriptional Regulation by TP53","Signaling by FGFR1 in disease","Response of Mtb to phag
ocytosis","Defective SLC6A2 causes orthostatic intolerance (OI)","Regulation of ornithine decarboxylase (ODC)","G0 and Early G1","Transcriptional regulation by RUNX1","Extension of Telomeres","Cytosol
ic tRNA aminoacylation","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","MyD88 cascade initiated on plasma membrane","Endogenous sterols","PCNA-Dependent Long Patch Base Exc
ision Repair","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of D-series resolvins","p53-Dependent G1 DNA Damage Response","Regulation of MEC
P2 expression and activity","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Regulation of FOXO transcriptional activity by acetylation","Visual phototransductio
n","Mitotic Anaphase","RHOBTB3 ATPase cycle","HDR through Homologous Recombination (HRR)","Biosynthesis of maresins","Pregnenolone biosynthesis","Amine ligand-binding receptors","Glycogen storage dise
ase type II (GAA)","Estrogen-stimulated signaling through PRKCZ","EPHB-mediated forward signaling","MECP2 regulates transcription factors","Interleukin-12 signaling","Regulation of PTEN gene transcrip
tion",Xenobiotics,"IRS-mediated signalling","Regulation of TP53 Activity","FGFR1 mutant receptor activation","Suppression of phagosomal maturation","Transcription of E2F targets under negative control
 by DREAM complex","RUNX1 regulates estrogen receptor mediated transcription","Telomere Extension By Telomerase","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Activation of 
AMPK downstream of NMDARs","Stabilization of p53","The canonical retinoid cycle in rods (twilight vision)","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","Biosynthesis
 of maresin-like SPMs",Adrenoceptors,"Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","PI3K Cascade","Regulation of TP53 Expression and Degradation","Signaling by c
ytosolic FGFR1 fusion mutants","Inhibition of nitric oxide production","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of DPAn-3-derived 13-series r
esolvins","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degr
adation",Hemostasis,"Platelet activation","signaling and aggregation","Metabolism of carbohydrates","Uptake and actions of bacterial toxins","Platelet Aggregation (Plug Formation)","Glucose metabolism
","Uptake and function of anthrax toxins",Glycolysis,"Biosynthesis of DPAn-3-derived protectins and resolvins"}

> <broad_targets>
{CSNK2A1,NQO2,PTGS1,PTGS2}

> <broad_moa>
{"cytochrome P450 inhibitor","SIRT activator"}

> <synonyms>
{resveratrol,501-36-0,501360,trans-resveratrol,transresveratrol,"3,4',5-Trihydroxystilbene","3,4',5Trihydroxystilbene","(E)-5-(4-Hydroxystyryl)benzene-1,3-diol","(E)5(4Hydroxystyryl)benzene1,3diol","3
,5,4'-Trihydroxystilbene","3,5,4'Trihydroxystilbene",(E)-resveratrol,(E)resveratrol,"3,4',5-Stilbenetriol","3,4',5Stilbenetriol","5-((E)-2-(4-hydroxyphenyl)ethenyl)benzene-1,3-diol","5((E)2(4hydroxyph
enyl)ethenyl)benzene1,3diol",Resvida,3,4',T1558,SAM001246888,1502223,Resveratrol,CPD000058206,RESVERATROL}

> <pdid>
PD001353

> <targets>
{Antibiotic,Apoptosis,Autophagy,Bacterial,Fungal,IKK,Keap1-Nrf2,Mitophagy,Sirtuin}

> <classes>
{antifungal,antibacterial,Anti-infection,Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics,NF-ºB}

> <pubchem_cids>
{445154}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0  1  0  0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2121    3.8625    0.0000 C   0  0
    0.7463    5.2884    0.0000 N   0  0
   -0.7537    5.2860    0.0000 N   0  0
   -1.2149    3.8587    0.0000 C   0  0
   -1.6377    6.4987    0.0000 C   0  0
   -1.1355    7.9069    0.0000 C   0  0
   -2.1078    9.0491    0.0000 C   0  0
   -3.5831    8.7781    0.0000 N   0  0
   -4.0862    7.3650    0.0000 C   0  0
   -3.1139    6.2228    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2056   -2.9933    0.0000 C   0  0
    3.9091   -3.7478    0.0000 Cl  0  0
    6.5072   -3.7388    0.0000 C   0  0
    7.8036   -2.9844    0.0000 C   0  0
    9.1052   -3.7299    0.0000 F   0  0
    7.7985   -1.4844    0.0000 C   0  0
    6.4969   -0.7388    0.0000 C   0  0
    6.4918    0.7612    0.0000 Cl  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 11  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
  2 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 22  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15500

> <plate>
PLATE 003

> <well>
E6

> <supplier_cmpd_name>
Crizotinib

> <ctcr_id>
5753

> <supplier_cmpd_id>
T1661

> <smiles>
C[C@@H](Oc1cc(cnc1N)c2cnn(c2)C3CCNCC3)c4c(Cl)cc(F)cc4Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NSC756645,NSC-756645,AB01273972-01,AB0127397201,756645,"NSC 756645",Crizotinib,PF-2341066}

> <pdid>
PD004074

> <targets>
{}

> <classes>
{"ALK inhibitor"}

> <pubchem_cids>
{54613769}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 33  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 C   0  0
    1.8032    3.1233    0.0000 N   0  0
    2.4134    4.4924    0.0000 C   0  0
    3.9053    4.6489    0.0000 O   0  0
    1.5317    5.7059    0.0000 C   0  0
    0.0400    5.5491    0.0000 C   0  0
   -0.5701    4.1788    0.0000 C   0  0
    0.3114    2.9665    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 O   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.8417    6.7626    0.0000 C   0  0
   -1.4181    5.3777    0.0000 O   0  0
   -1.6822    7.9814    0.0000 C   0  0
   -3.1799    7.8988    0.0000 C   0  0
   -0.2316    8.1329    0.0000 C   0  0
   -1.1133    9.3464    0.0000 O   0  0
    1.2601    8.2897    0.0000 O   0  0
    2.1418    7.0762    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12  6  1  0
 12 13  1  0
 13  4  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21  3  1  0
 21 15  1  0
 10 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 22 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29  9  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15501

> <plate>
PLATE 003

> <well>
E7

> <supplier_cmpd_name>
SN-38

> <ctcr_id>
5155

> <supplier_cmpd_id>
T1703

> <smiles>
CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(O)cc15)C(O)(CC)C(=O)OC4

> <pd_targets>
{KMT2A,MEN1,RORC,TOP1,CYP3A4,ABCG2}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor",Reader,"Nuclear receptor",Bromodomain,"Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor sub
family 1 group F member 3",Enzyme,Transporter,Isomerase,"Cytochrome P450","Primary active transporter","Cytochrome P450 family 3","ATP-binding cassette","Cytochrome P450 family 3A","ABCG subfamily","C
ytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans",Enzymes,Transporters,"DNA topoisomerases","Cytochrome P450","ATP-binding cassette transporter family","CYP3 family","ABCG sub
family"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration","Metabol
ism of proteins",Metabolism,"Post-translational protein modification","Metabolism of lipids","Abacavir transport and metabolism",SUMOylation,"Biosynthesis of specialized proresolving mediators (SPMs)"
,"Abacavir transmembrane transport","SUMO E3 ligases SUMOylate target proteins","Biosynthesis of DHA-derived SPMs","SUMOylation of DNA replication proteins","Biosynthesis of maresins","Biosynthesis of
 maresin-like SPMs"}

> <broad_targets>
{TOP1}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{N3,130144-34-2,130144342,LSM-6189,LSM6189,CHEMBL10206,SCHEMBL733477,SCHEMBL13420265,CHEBI:94969,AMY4248,HMS3269N09,CE0031,STL452994,AKOS015900553,"(R)-7-Ethyl-10-Hydroxy Camptothecin","(R)7Ethyl10Hyd
roxy Camptothecin","rac-4,11-Diethyl-9-hydroxycamptothecin","rac4,11Diethyl9hydroxycamptothecin",SY013197,FT-0630943,FT0630943,FT-0674607,FT0674607,FT-0674608,FT0674608,BRD,S4908,SN-38}

> <pdid>
PD003690

> <targets>
{Topoisomerase}

> <classes>
{"DNA Damage"}

> <pubchem_cids>
{4014291}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 19  0  0  1  0            999 V2000
    2.5953   -3.0022    0.0000 C   0  0
    2.5978   -1.5022    0.0000 C   0  0  1  0  0  0
    3.8983   -0.7547    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 N   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15502

> <plate>
PLATE 003

> <well>
E8

> <supplier_cmpd_name>
Y-27632 dihydrochloride

> <ctcr_id>
4369

> <supplier_cmpd_id>
T1725

> <smiles>
C[C@@H](N)C1CCC(CC1)C(=O)Nc2ccncc2

> <pd_targets>
{PKN2,ROCK1,ROCK2,KCNH2,PRKCE,LMNA,CYP3A4,ALOX15,RPS6KA5,CCL2,PRKCQ,CDK5,CDK8,PRKD3,LTK,STK3,CLK4,CDC42BPA,PRKCD,CDK2,BRSK1,PRKG2,PRKX,LRRK2,CHUK,CDK1}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Other nuclear protein","Membrane receptor",Kinase,"Voltage-gated ion channel","Cytochrome P450",Oxidoreductase,"Family A G protein-coupled receptor","Protein Kinase","Potassium 
channels","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","AGC protein kinase group","Voltage-gated potassium channel","Cytochrome P450 family 3A","Chemokine receptor","CMGC protein kina
se group","CAMK protein kinase group","TK protein kinase group","STE protein kinase group","TKL protein kinase group","Other protein kinase group","AGC protein kinase PKN family","AGC protein kinase D
MPK family","AGC protein kinase PKC family","Cytochrome P450 3A4","AGC protein kinase RSK family","CC chemokine receptor","CMGC protein kinase CDK family","CAMK protein kinase PKD family","Tyrosine pr
otein kinase Alk family","STE protein kinase STE20 family","CMGC protein kinase CLK family","CAMK protein kinase CAMK1 family","AGC protein kinase PKG family","AGC protein kinase PKA family","TKL prot
ein kinase LRRK family","Other protein kinase IKK family","AGC protein kinase ROCK subfamily","AGC protein kinase PKC eta subfamily","AGC protein kinase MSK subfamily","AGC protein kinase PKC delta su
bfamily","CMGC protein kinase CDK5 subfamily","CMGC protein kinase CDK8 subfamily","STE protein kinase MST subfamily","AGC protein kinase GEK subfamily","CMGC protein kinase CDC2 subfamily","CAMK prot
ein kinase BRSK subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Cytochrome P450","Eicosanoid turnover","Catalytic receptors","AGC: Containing PKA",PKG,"PKC families","Potassium 
channels","CYP3 family",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor kinases","STE: Homologs of yeast Sterile 7","Steril
e 11","Sterile 20 kinases","Protein kinase N (PKN) family","DMPK family","Voltage-gated potassium channels","Protein kinase C (PKC) family","RSK family","Cyclin-dependent kinase (CDK) family","Protein
 kinase D (PKD) family","TK: Tyrosine kinase","STE20 family","CLK family","CAMK-like (CAMKL) family","Protein kinase G (PKG) family","Protein kinase A (PKA) family","TKL: Tyrosine kinase-like","Other 
protein kinases","Rho kinase","Eta subfamily","MSK subfamily","Delta subfamily","CDK5 subfamily","CDK8 subfamily","Receptor tyrosine kinases (RTKs)","MST subfamily","GEK subfamily","CDK1 subfamily","B
RSK subfamily","Leucine-rich repeat kinase (LRRK) family","IKK family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology","Muscle contraction","Immune System","Cell Cycle",Metabolism,"Gene expression (Transcription)",Disease,"Signaling by Rho GTPases","Nervous system develop
ment","Cardiac conduction","Innate Immune System",Mitotic,"Metabolism of lipids","Signaling by GPCR","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and s
econd messengers","Signaling by Hippo","Intracellular signaling by second messengers","MAPK family signaling cascades","Infectious disease","Signaling by Non-Receptor Tyrosine Kinases","RHO GTPase Eff
ectors","Axon guidance","Phase 3 - rapid repolarisation","Fcgamma receptor (FCGR) dependent phagocytosis","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Casc
ades","GPCR ligand binding","GPCR downstream signalling","Generic Transcription Pathway","Signaling by NOTCH1 in Cancer","Sphingolipid metabolism","DAG and IP3 signaling","MAPK1/MAPK3 signaling","Leis
hmania infection","Signaling by PTK6","Regulation of mitotic cell cycle","RHO GTPases activate PKNs","Semaphorin interactions","Role of phospholipids in phagocytosis","Mitotic Metaphase and Anaphase",
"Biosynthesis of DHA-derived SPMs","Biosynthesis of DPA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","Class A/1 (Rhodopsin-like receptors)","G alpha (i) signalling events","Transcriptional Regu
lation by TP53","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Sphingolipid de novo biosynthesis","CaM pathway","RAF/MAP kinase cascade","Leishmania parasite growth and survival","PTK6 promot
es HIF1A stabilization","Toll Like Receptor 4 (TLR4) Cascade","APC/C-mediated degradation of cell cycle proteins","Sema4D in semaphorin signaling","Mitotic Anaphase","Biosynthesis of maresins","Biosyn
thesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","Peptide ligand-binding receptors","Visual phototransduction","Regulation of TP53 Activity","Constitutive Signaling by NOTCH1 HD+PES
T Domain Mutants","Calmodulin induced events","RAS processing","Anti-inflammatory response favouring Leishmania parasite infection","MyD88-independent TLR4 cascade","Activation of APC/C and APC/C:Cdc2
0 mediated degradation of mitotic proteins","Sema4D induced cell migration and growth-cone collapse","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-deri
ved protectins and resolvins","MAP kinase activation","Chemokine receptors bind chemokines","The phototransduction cascade","Regulation of TP53 Activity through Phosphorylation","Regulation of TP53 Ex
pression and Degradation","ADORA2B mediated anti-inflammatory cytokines production","TRIF(TICAM1)-mediated TLR4 signaling","APC/C:Cdc20 mediated degradation of mitotic proteins","Initiation of Nuclear
 Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases",Inactivation,"recovery and regulation of the phototransduction cascade","Regulation of TP53 Degradation","IKK complex
 recruitment mediated by RIP1","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","CREB phosphorylation","Cdc20:Phospho-APC/C mediated degradatio
n of Cyclin A"}

> <broad_targets>
{PKIA,PKN2,PRKACA,PRKCE,ROCK1,ROCK2}

> <broad_moa>
{"rho associated kinase inhibitor"}

> <synonyms>
{2763,NCGC00092276-05,NCGC0009227605,NCGC00092276-06,NCGC0009227606,y-27632,y27632,146986-50-7,146986507,"Y-27632 dihydrochloride","Y27632 dihydrochloride",Y27632,"Y 27632",UNII-0X370ROP6H,UNII0X370RO
P6H,"cyclohexanecarboxamide, 4-((1R)-1-aminoethyl)-N-4-pyridinyl-, trans-","cyclohexanecarboxamide, 4((1R)1aminoethyl)N4pyridinyl, trans",4-((1R)-1-aminoethyl)-N-(pyridin-4-yl)cyclohexane-1-carboxamid
e,4((1R)1aminoethyl)N(pyridin4yl)cyclohexane1carboxamide,Y-27632}

> <pdid>
PD004560

> <targets>
{Autophagy,ROCK,p160ROCK,PRK2}

> <classes>
{}

> <pubchem_cids>
{448042}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    6.4924   -3.7566    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 11  1  0
 18 19  1  0
 19  8  1  0
 19 20  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15503

> <plate>
PLATE 003

> <well>
E9

> <supplier_cmpd_name>
Genistein

> <ctcr_id>
2985

> <supplier_cmpd_id>
T1737

> <smiles>
Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O

> <pd_targets>
{ALDH1A1,TSHR,SMN1,PMP22,MAPT,CYP2C19,ALOX15,AKR1B1,SLC2A1,MAOA,ESR2,XDH,PYK,MAPK1,NPC1,ESR1,MAL32,EGFR,ABL1,MGAM,ADORA2A,ADORA1,ESRRA,PTGS1,HPGD,TP53,CYP1A2,HSD17B3,HSD17B2,POL,MAOB,MAPK14,DPP3,SRC,N
A,ESRRB,LMNA,SYK,CYP3A4,AOX1,PFMRK,AR,CFTR,ABCB1,KMT2A,MEN1,RAB9A,HIF1A,LEF,THPO,PSMB5,ODC1,DAPK1,NANH,FABZ,TDP1,SHBG,DPP4,FTL,PKM,PRKCA,POLB,RORC,SLCO1B1,DNMT1,CACNA1C,NR1H2,CYP19A1,ABCG2,SLC2A4,NR1H
3,HTR2A,SLC6A3,SLCO1B3,BMX,HSD17B1,HTR2C,TBXAS1,STAT3,FYN,TRPC5,ESRRG}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Epigenetic regulator","Unclassified protein","Other cytosolic protein",Transporter,"Transcription factor","Other nuclear protein","Ion channel","Secreted protein",Oxidored
uctase,"Family A G protein-coupled receptor",Reader,"Cytochrome P450",Protease,"Electrochemical transporter","Nuclear receptor",Transferase,Kinase,Hydrolase,"Other ion channel","Primary active transpo
rter",Lyase,Writer,"Voltage-gated ion channel","Peptide receptor (family A GPCR)","Methyl-lysine/arginine binding protein","Cytochrome P450 family 2","Cysteine protease","SLC superfamily of solute car
riers","Nuclear hormone receptor subfamily 3","Protein Kinase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","Metallo protease","Cytochrome P450 family 3","Chloride channel","AT
P-binding cassette",Bromodomain,"Threonine protease","Serine protease","Nuclear hormone receptor subfamily 1","DNA methyltransferase","Voltage-gated calcium channel","Cytochrome P450 family 19","Cytoc
hrome P450 family 5","Transient receptor potential channel","Glycohormone receptor","Tudor domain","Cytochrome P450 family 2C","Cysteine protease CA clan","SLC02 family of hexose and sugar alcohol tra
nsporters","Nuclear hormone receptor subfamily 3 group A","CMGC protein kinase group","TK protein kinase group","Nucleotide-like receptor (family A GPCR)","Nuclear hormone receptor subfamily 3 group B
","Cytochrome P450 family 1A","Metallo protease MAE clan","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 3 group C","Cystic fibrosis transmembrane conductance regulator","ABCB subfami
ly","Threonine protease PBT clan","CAMK protein kinase group","Serine protease SC clan","AGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","SLC21/SLCO family of organic anion tr
ansporting polypeptides","Nuclear hormone receptor subfamily 1 group H","Cytochrome P450 family 19A","ABCG subfamily","Monoamine receptor","SLC06 neurotransmitter transporter family","Cytochrome P450 
family 5A","Cytochrome P450 2C19","Cysteine protease C1A family","Nuclear hormone receptor subfamily 3 group A member 2","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 3 group A
 member 1","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Abl family","Adenosine receptor","Nuclear hormone receptor subfamily 3 group B member 1","Cytochrome P450 1A1","Metallo protea
se M49 family","Tyrosine protein kinase Src family","Nuclear hormone receptor subfamily 3 group B member 2","Tyrosine protein kinase Syk family","Cytochrome P450 3A4","CMGC protein kinase CDK family",
"Nuclear hormone receptor subfamily 3 group C member 4","Metallo protease M34 family","Threonine protease T1A subfamily","CAMK protein kinase DAPK family","Serine protease S9B subfamily","AGC protein 
kinase PKC family","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 1 group H member 3","Cytochrome P450 19A1","Serotonin receptor","Tyrosine protein kinase 
Tec family","Cytochrome P450 5A1","Nuclear hormone receptor subfamily 3 group B member 3","CMGC protein kinase ERK1","CMGC protein kinase p38 subfamily","AGC protein kinase PKC alpha subfamily","Tyros
ine protein kinase SrcA"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Ion channels","Other protein targets","G protein-coupled receptors","Cytochrome P450","Eicosanoid turnover","1.-.-.- Oxidoreductases","SLC superfamily of solute carrie
rs","Catecholamine turnover","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Catalytic receptors","3.2.1.- Glycosidases","Peptidases and proteinases","Other ion channels","ATP-binding cassette tra
nsporter family","Carboxylases and decarboxylases","2.7.1.40 Pyruvate kinases","2.1.1.- Methyltransferases","Voltage-gated ion channels","Transcription factors","Glycoprotein hormone receptors","CYP2 
family: drug metabolising subset",Lipoxygenases,"SLC2 family of hexose and sugar alcohol transporters","Steroid hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLC65 NPC-type chole
sterol transporters","Receptor kinases","Adenosine receptors","3B. Estrogen-related receptors",Cyclooxygenase,"Prostaglandin synthases","CYP1 family","MA: Metallo (M) Peptidases","CYP3 family","Chlori
de channels","ABCB subfamily","PB: Threonine (T) Peptidases",Decarboxylases,"CAMK: Calcium/calmodulin-dependent protein kinases","SC: Serine (S) Peptidases","AGC: Containing PKA",PKG,"PKC families","1
F. Retinoic acid-related orphans","SLCO family of organic anion transporting polypeptides","Voltage-gated calcium channels","1H. Liver X receptor-like receptors",CYP11,CYP17,CYP19,"CYP20 and CYP21 fam
ilies","ABCG subfamily","5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter family",CYP5,"CYP7 and CYP8 families","STAT transcription factors","Transient Receptor Potential channels","C
lass I transporters","3A. Estrogen receptors","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","M49: Dipeptidyl-peptidase III","3C. 3-Ketosteroid receptors",CFTR,"T1: Proteasome
","Death-associated kinase (DAPK) family","S9: Prolyl oligopeptidase","Protein kinase C (PKC) family","Monoamine transporter subfamily","ERK subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor
 tyrosine kinases (nRTKs)","p38 subfamily","Delta subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Abl family","Src family","Syk family","Tec family"}

> <pathway_reactome>
{Metabolism,Disease,"Metabolism of RNA","Developmental Biology","Neuronal System","Signal Transduction","Immune System","Transport of small molecules","Gene expression (Transcription)","Digestion and 
absorption","Cell Cycle",Autophagy,"Cellular responses to external stimuli",Hemostasis,"Programmed Cell Death","DNA Repair","Metabolism of proteins","Vesicle-mediated transport","Biological oxidations
","Infectious disease","Metabolism of non-coding RNA","Nervous system development","Transmission across Chemical Synapses","Metabolism of lipids","Disorders of transmembrane transporters","Intracellul
ar signaling by second messengers","Metabolism of nucleotides","Innate Immune System","Plasma lipoprotein assembly",remodeling,"and clearance","RNA Polymerase II Transcription","Signaling by GPCR",Dig
estion,"Cell Cycle Checkpoints","Signaling by Receptor Tyrosine Kinases",Mitotic,"Metabolism of vitamins and cofactors",Macroautophagy,"Abacavir transport and metabolism","Signaling by Rho GTPases","C
ellular responses to stress","Platelet activation","signaling and aggregation","Metabolism of amino acids and derivatives",Apoptosis,"DNA Double-Strand Break Repair","Peptide hormone metabolism","Memb
rane Trafficking","Metabolism of carbohydrates","Base Excision Repair","Post-translational protein modification","SLC-mediated transmembrane transport","Diseases of signal transduction by growth facto
r receptors and second messengers","Phase I - Functionalization of compounds","Leishmania infection","snRNP Assembly","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Neurotransmitter
 receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","SLC transporter disorders","PIP3 activates AKT signaling","Nucleo
base catabolism","Toll-like Receptor Cascades","Plasma lipoprotein clearance","Generic Transcription Pathway","GPCR downstream signalling","Digestion of dietary carbohydrate","GPCR ligand binding","Fa
tty acid metabolism","G1/S DNA Damage Checkpoints","Signaling by NTRKs","Influenza Infection","M Phase","Metabolism of water-soluble vitamins and cofactors","Selective autophagy","Abacavir transmembra
ne transport","Rho GTPase cycle","Cellular response to hypoxia","Uptake and actions of bacterial toxins","Platelet Aggregation (Plug Formation)","Regulation of mitotic cell cycle","Metabolism of polya
mines","Caspase activation via extrinsic apoptotic signalling pathway","Nonhomologous End-Joining (NHEJ)","Incretin synthesis",secretion,"and inactivation","trans-Golgi Network Vesicle Budding","Gluco
se metabolism","Resolution of Abasic Sites (AP sites)",SUMOylation,"Axon guidance","Cellular hexose transport","Phospholipid metabolism","Signaling by FGFR in disease","HIV Infection","Ethanol oxidati
on","Leishmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","Cytochrome P450 - arranged by substrate type","Biosynthesis of DPA-derived SPMs","Metabolism of st
eroid hormones","Defective SLC2A1 causes GLUT1 deficiency syndrome 1 (GLUT1DS1)","Amine Oxidase reactions","Negative regulation of the PI3K/AKT network","Purine catabolism","Toll Like Receptor 5 (TLR5
) Cascade","LDL clearance","Transcriptional regulation by RUNX1","G alpha (q) signalling events","Parasite infection","Class A/1 (Rhodopsin-like receptors)","Transcriptional regulation by RUNX2","Arac
hidonic acid metabolism","Biosynthesis of DHA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Fatty acyl-CoA biosynthesis","Signaling by NTRK1 (TRKA)","Virus Assembly and Release","Nuclear R
eceptor transcription pathway","Mitotic Metaphase and Anaphase","Vitamins B6 activation to pyridoxal phosphate",Aggrephagy,"RHOBTB GTPase Cycle","Oxygen-dependent proline hydroxylation of Hypoxia-indu
cible Factor Alpha","Uptake and function of anthrax toxins","APC/C-mediated degradation of cell cycle proteins","Regulation of ornithine decarboxylase (ODC)","Caspase activation via Dependence Recepto
rs in the absence of ligand",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","Golgi Associated Vesicle Biogenesis",Glycolysis,"G alpha (i) signalling events","Resolution of AP sites vi
a the multiple-nucleotide patch replacement pathway","Transcriptional regulation by RUNX3","Bile acid and bile salt metabolism","SUMO E3 ligases SUMOylate target proteins","NCAM signaling for neurite 
out-growth","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","PI Metabolism","Signaling by FGFR1 in disease","Host Interactions of HIV factors","Netrin-1 signaling","Anti-inflammatory
 response favouring Leishmania parasite infection","Post NMDA receptor activation events",Xenobiotics,"Biosynthesis of DPAn-3 SPMs","Pregnenolone biosynthesis","Biogenic amines are oxidatively deamina
ted to aldehydes by MAOA and MAOB",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","MyD88 cascade initiated on plasma membrane","RUNX1 regulates estrogen receptor mediated transcription","Gastrin-CRE
B signalling pathway via PKC and MAPK","Leishmania phagocytosis","Nucleotide-like (purinergic) receptors","Regulation of RUNX2 expression and activity","Synthesis of Prostaglandins (PG) and Thromboxan
es (TX)","Biosynthesis of D-series resolvins","p53-Dependent G1 DNA Damage Response","Synthesis of very long-chain fatty acyl-CoAs","Estrogen biosynthesis","Signalling to ERKs","Assembly of Viral Comp
onents at the Budding Site","Mitotic Anaphase","Biosynthesis of maresins","RUNX2 regulates bone development","RHOBTB3 ATPase cycle","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic
 proteins","Visual phototransduction","PCNA-Dependent Long Patch Base Excision Repair","RUNX3 Regulates Immune Response and Cell Migration","Recycling of bile acids and salts","SUMOylation of DNA meth
ylation proteins","NCAM1 interactions","SUMOylation of intracellular receptors","Endogenous sterols","Amine ligand-binding receptors","Synthesis of PIPs at the plasma membrane",Eicosanoids,"FGFR1 muta
nt receptor activation","The role of Nef in HIV-1 replication and disease pathogenesis","Role of second messengers in netrin-1 signaling","ADORA2B mediated anti-inflammatory cytokines production","Act
ivation of AMPK downstream of NMDARs","CYP2E1 reactions","Biosynthesis of DPAn-3-derived protectins and resolvins","MAP kinase activation","EGFR Transactivation by Gastrin","FCGR3A-mediated phagocytos
is","Adenosine P1 receptors","Stabilization of p53","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Signalling to RAS","Transport of HA trimer","NA tetramer and M2 tetramer from th
e endoplasmic reticulum to the Golgi Apparatus","Nuclear Envelope (NE) Reassembly","FCGR3A-mediated IL10 synthesis","Biosynthesis of maresin-like SPMs","RUNX2 regulates osteoblast differentiation","AP
C/C:Cdc20 mediated degradation of mitotic proteins","The phototransduction cascade","Serotonin receptors","The canonical retinoid cycle in rods (twilight vision)","Signaling by cytosolic FGFR1 fusion 
mutants","Nef and signal transduction","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","p38MAPK events","Initiation of Nuclear Envelope (NE) Re
formation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint",Inactivation,"recovery and regulation of the phototransduction cascade","ERK/MAPK t
argets","Activation of the AP-1 family of transcription factors","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERKs are inactivated"}

> <broad_targets>
{CFTR,ESR1,ESR2,ESRRA,ESRRB,ESRRG,NCOA1,NCOA2,PPARG,PTK2B,TOP2A,TRPC5}

> <broad_moa>
{"tyrosine kinase inhibitor"}

> <synonyms>
{genistein,446-72-0,446720,Prunetol,"4',5,7-Trihydroxyisoflavone","4',5,7Trihydroxyisoflavone",Genisterin,Genisteol,Sophoricol,"5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one","5,7dihydroxy3(4hydr
oxyphenyl)4Hchromen4one","5,7,4'-Trihydroxyisoflavone","5,7,4'Trihydroxyisoflavone",Bonistein,"Differenol A",5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one,7dihydroxy3(4hydroxyphenyl)chromen4one,T1737
,NSC36586,1110,210296,EI-147,"NSC 36586",Genistein,GENISTEIN}

> <pdid>
PD002146

> <targets>
{EGFR,"Tyrosine Kinases",Apoptosis,Autophagy,"Endogenous Metabolite"}

> <classes>
{Apoptosis,Autophagy,JAK/STAT Signaling,Metabolic Enzyme/Protease,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{5280961}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    6.4924   -3.7566    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 12  1  0
 19 20  1  0
 20  8  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15504

> <plate>
PLATE 003

> <well>
E10

> <supplier_cmpd_name>
Apigenin

> <ctcr_id>
1229

> <supplier_cmpd_id>
T2175

> <smiles>
Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2

> <pd_targets>
{THPO,KMT2A,MEN1,LMNA,NFKB1,HBB,CYP2C19,NFO,HIF1A,ALOX15,HPGD,CYP2D6,CYP3A4,GMNN,ABCB1,POL,GUSB,CSNK2A1,SYK,PIM1,MAPK10,LPO,ADORA2A,MAOB,TSHR,CYP1B1,XDH,PTGS2,ELANE,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,
GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,NANH,GSK3B,IP6K2,TNKS,MYOC,FFP,MAOA,DPP3,EGFR,CYP19A1,TTR,NLRP3,CYP1A2,KDM4E,ALDH1A1,BACE1,ESR2,NA,HSD17B10,SMN1,TDP1,MAPT,PARP
1,CFTR,DPP4,CDK6,AKR1B1,ADORA1,LYZ1,ESR1,CDK5,CDK5R1,GSK3A,FABI,MAPK14,HSD17B3,AURKB,CA4,MPO,MUC1,DAPK1,CSNK2A2,CSNK2A3,CSNK2B,PYK,PMP22,APEX1,IPMK,TNKS2,BCHE,FLT3,CCNB1,CCNB2,CCNB3,CDK1,CYP1A1,THRB,N
PC1,IMPA1,APP,ACHE,CA2,CA3,CA1,RORC,GNAI1,RGS12,CYP2C9,PFMRK,MAPK1,NKX2-5,REP,PKM,ALD,NPSR1,LCK,AR,HSD17B1,AKR1B10,PSMB5,ABCG2,ABCC1,GATA4,NOX4,PPARG}

> <pathway_gtopdb>
{"Unclassified protein","Epigenetic regulator","Other nuclear protein","Other cytosolic protein","Secreted protein",Enzyme,"Transcription factor",Transporter,"Membrane receptor","Ion channel",Reader,"
Cytochrome P450",Hydrolase,Oxidoreductase,"Primary active transporter",Kinase,"Family A G protein-coupled receptor",Protease,"Ligand-gated ion channel",Transferase,Eraser,"Nuclear receptor","Other ion
 channel",Lyase,Bromodomain,"Cytochrome P450 family 2","Cytochrome P450 family 3","ATP-binding cassette","Protein Kinase","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","
Cytochrome P450 family 1","Serine protease","GABA-A receptor","Metallo protease","Cytochrome P450 family 19","Lysine demethylase","Aspartic protease","Nuclear hormone receptor subfamily 3","Methyl-lys
ine/arginine binding protein","Chloride channel","Nuclear hormone receptor subfamily 1","Cysteine protease","Threonine protease","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Cytochrome P45
0 family 3A","ABCB subfamily","Other protein kinase group","TK protein kinase group","CAMK protein kinase group","CMGC protein kinase group","Nucleotide-like receptor (family A GPCR)","Glycohormone re
ceptor","Cytochrome P450 family 1B","Serine protease PA clan","Metallo protease MAE clan","Cytochrome P450 family 19A","Cytochrome P450 family 1A","Jumonji domain-containing","Aspartic protease AA cla
n","Nuclear hormone receptor subfamily 3 group A","Tudor domain","Cystic fibrosis transmembrane conductance regulator","Serine protease SC clan","Nuclear hormone receptor subfamily 1 group A","Cystein
e protease CA clan","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 3 group C","Threonine protease PBT clan","ABCG subfamily
","ABCC subfamily","Nuclear hormone receptor subfamily 1 group C","Cytochrome P450 2C19","Cytochrome P450 2D6","Cytochrome P450 3A4","Other protein kinase CK2 family","Tyrosine protein kinase Syk fami
ly","CAMK protein kinase PIM family","CMGC protein kinase MAPK family","Adenosine receptor","Cytochrome P450 1B1","Serine protease S1A subfamily","CMGC protein kinase GSK family","Metallo protease M49
 family","Tyrosine protein kinase EGFR family","Cytochrome P450 19A1","Cytochrome P450 1A1","Aspartic protease A1A subfamily","Nuclear hormone receptor subfamily 3 group A member 2","Serine protease S
9B subfamily","Nuclear hormone receptor subfamily 3 group A member 1","CMGC protein kinase CDK family","Other protein kinase AUR family","CAMK protein kinase DAPK family","Tyrosine protein kinase PDGF
R family","Nuclear hormone receptor subfamily 1 group A member 2","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C9","Neuropeptide receptor","
Tyrosine protein kinase Src family","Nuclear hormone receptor subfamily 3 group C member 4","Threonine protease T1A subfamily","Nuclear hormone receptor subfamily 1 group C member 3","CMGC protein kin
ase JNK subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Other protein targets","Ion channels","Cytochrome P450","Eicosanoid turnover","ATP-binding cassette transporter family","Catalytic receptors","Kinases (EC 2.7.x.x)","G
 protein-coupled receptors","Catecholamine turnover","1.-.-.- Oxidoreductases","Peptidases and proteinases","Poly ADP-ribose polymerases",Transthyretin,"Chromatin modifying enzymes","Nuclear hormone r
eceptors","Other ion channels","Carbonic anhydrases","Acetylcholine turnover","SLC superfamily of solute carriers","Inositol phosphate turnover","Anti-infective targets","2.7.1.40 Pyruvate kinases","N
ADPH oxidases","CYP2 family: drug metabolising subset",Lipoxygenases,"Prostaglandin synthases","CYP3 family","ABCB subfamily","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","C
MGC: Containing CDK",MAPK,GSK3,"CLK families","Adenosine receptors","Glycoprotein hormone receptors","CYP1 family",Cyclooxygenase,"PA: Serine (S) Peptidases","MA: Metallo (M) Peptidases",CYP11,CYP17,C
YP19,"CYP20 and CYP21 families","Pattern recognition receptors","1.14.11.- Histone demethylases","AA: Aspartic (A) Peptidases","Steroid hormone receptors","Chloride channels","SC: Serine (S) Peptidase
s","1A. Thyroid hormone receptors","SLC65 NPC-type cholesterol transporters","Inositol monophosphatase","1F. Retinoic acid-related orphans","Viral protein targets","Neuropeptide S receptor","PB: Threo
nine (T) Peptidases","ABCG subfamily","ABCC subfamily","1C. Peroxisome proliferator-activated receptors","Other protein kinases","TK: Tyrosine kinase","PIM family","Mitogen-activated protein kinases (
MAP kinases)","S1: Chymotrypsin","Glycogen synthase kinase (GSK) family","M49: Dipeptidyl-peptidase III","NOD-like receptor family","A1: Pepsin","3A. Estrogen receptors",CFTR,"S9: Prolyl oligopeptidas
e","Cyclin-dependent kinase (CDK) family","Death-associated kinase (DAPK) family","Coronavirus (CoV) proteins","3C. 3-Ketosteroid receptors","T1: Proteasome","Casein kinase 2 (CK2) family","Non-recept
or tyrosine kinases (nRTKs)","JNK subfamily","GSK subfamily","Receptor tyrosine kinases (RTKs)","CDK4 subfamily","p38 subfamily","Aurora kinase (Aur) family","ERK subfamily","Syk family","Type I RTKs:
 ErbB (epidermal growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Src family"}

> <pathway_reactome>
{Hemostasis,"Cell Cycle","Immune System",Metabolism,"Cellular responses to external stimuli",Disease,"Gene expression (Transcription)","Signal Transduction","Metabolism of proteins","Metabolism of RNA
","DNA Repair","Neuronal System",Autophagy,"Transport of small molecules","Programmed Cell Death","Developmental Biology","Platelet activation","signaling and aggregation",Mitotic,"Cytokine Signaling 
in Immune system","Innate Immune System","Biological oxidations","Cellular responses to stress","Metabolism of lipids","Abacavir transport and metabolism","Diseases of metabolism","RNA Polymerase II T
ranscription","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of nucleotides","Intracellular signaling by second messengers","Signal
ing by GPCR","Amyloid fiber formation","Metabolism of amino acids and derivatives","Metabolism of non-coding RNA","DNA Double-Strand Break Repair","Transmission across Chemical Synapses",Macroautophag
y,"Peptide hormone metabolism","O2/CO2 exchange in erythrocytes",Apoptosis,"Nervous system development","Base Excision Repair","Inositol phosphate metabolism","Signaling by Receptor Tyrosine Kinases",
"Post-translational protein modification","Plasma lipoprotein assembly",remodeling,"and clearance","Reversible hydration of carbon dioxide","Metabolism of carbohydrates","Metabolism of vitamins and co
factors","Platelet Aggregation (Plug Formation)","M Phase","Signaling by Interleukins","Neutrophil degranulation","Phase I - Functionalization of compounds","Cellular response to hypoxia","Biosynthesi
s of specialized proresolving mediators (SPMs)","Mitotic G1 phase and G1/S transition","Abacavir transmembrane transport","Diseases of carbohydrate metabolism","Generic Transcription Pathway","Leishma
nia infection","FLT3 signaling in disease","Toll-like Receptor Cascades","ROS and RNS production in phagocytes","Nucleobase catabolism","Complement cascade","SARS-CoV Infections","Interferon Signaling
","PIP3 activates AKT signaling","GPCR downstream signalling","Influenza Infection","Branched-chain amino acid catabolism","snRNP Assembly","Nonhomologous End-Joining (NHEJ)","Neurotransmitter recepto
rs and postsynaptic signal transmission","Selective autophagy","Incretin synthesis",secretion,"and inactivation","Metabolism of steroids","GPCR ligand binding","Fatty acid metabolism","Erythrocytes ta
ke up carbon dioxide and release oxygen","Diseases of glycosylation","Caspase activation via extrinsic apoptotic signalling pathway","EGR2 and SOX10-mediated initiation of Schwann cell myelination","R
esolution of Abasic Sites (AP sites)","Synthesis of IPs in the nucleus","Phospholipid metabolism","Signaling by Insulin receptor",SUMOylation,"Plasma lipoprotein clearance","Synthesis of IP2",IP,"and 
Ins in the cytosol","Glucose metabolism","HIV Infection","Metabolism of fat-soluble vitamins","Regulation of mitotic cell cycle","Mitotic Metaphase and Anaphase","Interleukin-1 family signaling","Cyto
chrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DPA-derived SPMs","Biosynthesis of DHA-derived SPMs","G1/S Transit
ion",Mucopolysaccharidoses,"Transcriptional Regulation by TP53","Leishmania parasite growth and survival","Signaling by FLT3 ITD and TKD mutants","Toll Like Receptor 5 (TLR5) Cascade","Events associat
ed with phagocytolytic activity of PMN cells","Amine Oxidase reactions","Purine catabolism","Regulation of Complement cascade","SARS-CoV-1 Infection","Interferon alpha/beta signaling","PTEN Regulation
","G alpha (q) signalling events","G alpha (i) signalling events","Cell recruitment (pro-inflammatory response)","Ethanol oxidation","Negative regulation of the PI3K/AKT network","Virus Assembly and R
elease","Activation of NMDA receptors and postsynaptic events","Influenza Viral RNA Transcription and Replication",Aggrephagy,Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","G1 Phase"
,"Metabolism of steroid hormones","Class A/1 (Rhodopsin-like receptors)","Fatty acyl-CoA biosynthesis","Diseases associated with O-glycosylation of proteins","Caspase activation via Dependence Recepto
rs in the absence of ligand","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Glycerophospholipid biosynthesis","Insulin receptor signalling cascade","SUMO E3 ligases SU
MOylate target proteins","LDL clearance","Transcriptional regulation by RUNX1","Interleukin-12 family signaling","Transcriptional regulation by RUNX3","SARS-CoV-2 Infection",Glycolysis,"Host Interacti
ons of HIV factors","Transcriptional regulation by RUNX2","Retinoid metabolism and transport","APC/C-mediated degradation of cell cycle proteins","Arachidonic acid metabolism","Transcriptional Regulat
ion by MECP2","Mitotic Anaphase","Interleukin-1 signaling",Xenobiotics,"Biosynthesis of DPAn-3 SPMs","Biosynthesis of D-series resolvins","Biosynthesis of maresins","Activation of the pre-replicative 
complex","MPS VII - Sly syndrome","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishmania parasite infection","STAT5 activation downstream of FLT3 ITD mutants","MyD88 cascade in
itiated on plasma membrane","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Endogenous sterols","SARS-CoV-1 Genome Replication and Transcription","Regulation of PTEN stabil
ity and activity","Gastrin-CREB signalling pathway via PKC and MAPK","Visual phototransduction","Purinergic signaling in leishmaniasis infection",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Asse
mbly of Viral Components at the Budding Site","Post NMDA receptor activation events","vRNA Synthesis","Cyclin D associated events in G1","Pregnenolone biosynthesis","Nucleotide-like (purinergic) recep
tors","Synthesis of very long-chain fatty acyl-CoAs","Defective C1GALT1C1 causes Tn polyagglutination syndrome (TNPS)","PCNA-Dependent Long Patch Base Excision Repair","Synthesis of PC","IRS-mediated 
signalling","SUMOylation of intracellular receptors","RUNX1 regulates estrogen receptor mediated transcription","Interleukin-12 signaling","RUNX3 Regulates Immune Response and Cell Migration","SARS-Co
V-2 Genome Replication and Transcription","The role of Nef in HIV-1 replication and disease pathogenesis","RUNX2 regulates bone development","Activation of APC/C and APC/C:Cdc20 mediated degradation o
f mitotic proteins","Synthesis of Leukotrienes (LT) and Eoxins (EX)","MECP2 regulates transcription factors","Nuclear Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","CYP2E1 rea
ctions","Biosynthesis of DPAn-3-derived protectins and resolvins","Biosynthesis of maresin-like SPMs","Regulation of TP53 Activity through Phosphorylation","FCGR3A-mediated IL10 synthesis","MAP kinase
 activation","ADORA2B mediated anti-inflammatory cytokines production","Replication of the SARS-CoV-1 genome","EGFR Transactivation by Gastrin","The canonical retinoid cycle in rods (twilight vision)"
,"Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Transport of HA trimer","NA tetramer and M2 tetramer from the endoplasmic reticulum to the Golgi Apparatus","Activation of AMPK dow
nstream of NMDARs","Adenosine P1 receptors","Separation of Sister Chromatids","PI3K Cascade","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Gene and protein expression by JAK
-STAT signaling after Interleukin-12 stimulation","Replication of the SARS-CoV-2 genome","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","RUNX2 regulat
es osteoblast differentiation","APC/C:Cdc20 mediated degradation of mitotic proteins","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Medi
ated CD4 Down-regulation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Activation of the AP-1 family of transcription factors","ERK/MAPK t
argets","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERKs are inactivated"}

> <broad_targets>
{AKR1B1,AR,CDK6,CFTR,CYP19A1,CYP1B1,HSD17B1}

> <broad_moa>
{"casein kinase inhibitor","cell proliferation inhibitor"}

> <synonyms>
{520-36-5,520365,"5,7-Dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one","5,7Dihydroxy2(4hydroxyphenyl)4Hchromen4one",Chamomile,Versulin,"4',5,7-Trihydroxyflavone","4',5,7Trihydroxyflavone",Apigenol,Spig
enin,Apigenine,"C.I. Natural Yellow 1","Pelargidenon 1449","5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-benzopyrone","5,7Dihydroxy2(4hydroxyphenyl)4benzopyrone",5,7,4',T2175,EI-345,200846,Apigenin,APIGENIN}

> <pdid>
PD002200

> <targets>
{CK-II}

> <classes>
{antispasmodic,antineoplastic,"topoisomerase I inhibitor"}

> <pubchem_cids>
{5280443}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 O   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19  7  1  0
 19 20  2  0
 20  3  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15505

> <plate>
PLATE 003

> <well>
E11

> <supplier_cmpd_name>
Aloe-emodin

> <ctcr_id>
2402

> <supplier_cmpd_id>
T2843

> <smiles>
OCc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

> <pd_targets>
{EPHX2,ALPI,ACHE,ALDH1A7,KMT2A,MEN1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Protease,Hydrolase,Oxidoreductase,Phosphatase,Reader,"Serine protease",Bromodomain,"Serine protease SC clan","Serine protease S33 family"}

> <pathway_chembl>
{Enzymes,Hydrolases,"Acetylcholine turnover"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biosynthesis of specialized proresolving mediators (SPMs)","Phospholipid metabolism","Biosynthesis of DHA-derived SPMs","Glycerophospholipid biosynthesis","Biosynth
esis of maresins","Synthesis of PC","Synthesis of PA"}

> <broad_targets>
{CASP8}

> <broad_moa>
{"anticancer agent"}

> <synonyms>
{LOEEMODI,Aloe-emodin,Aloeemodin,"Aloe emodin",481-72-1,481721,Aloe-emodine,Aloeemodine,Rhabarberone,"1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione","1,8dihydroxy3(hydroxymethyl)anthracene9,10d
ione",3-Hydroxymethylchrysazine,3Hydroxymethylchrysazine,EMODINE,3-Hydroxymethylchrysazin,3Hydroxymethylchrysazin,"1,8-Dihydroxy-3-(hydroxymethyl)anthraquinone","1,8Dihydroxy3(hydroxymethyl)anthraquin
one",1,8-Dihyd,8Dihyd,T2843,S2259}

> <pdid>
PD010804

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{10207}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 31  0  0  0  0            999 V2000
    3.8919   -5.2525    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 S   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 S   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4978   -0.7562    0.0000 N   0  0
    7.7969   -1.5062    0.0000 C   0  0
    9.0960   -0.7561    0.0000 C   0  0
    9.0959    0.7439    0.0000 O   0  0
    7.7969    1.4938    0.0000 C   0  0
    6.4979    0.7438    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  2  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 21  1  0
 21  8  1  0
 21 12  2  0
  4 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15506

> <plate>
PLATE 003

> <well>
F2

> <supplier_cmpd_name>
KU55933

> <ctcr_id>
4896

> <supplier_cmpd_id>
T2685

> <smiles>
O=C1C=C(OC(=C1)c2cccc3Sc4ccccc4Sc23)N5CCOCC5

> <pd_targets>
{PIK3CB,ATM,PRKDC,PIK3CA,MTOR}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK f
amily kinases","FRAP subfamily"}

> <pathway_reactome>
{"Signal Transduction","Cell Cycle","Immune System",Disease,"Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","Cell Cycle Checkpoints","Innate Immune System","Diseases of sign
al transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Signaling by Insulin receptor","G1/S DNA Damage Checkpoints","Cytosolic sensors of pathogen-associa
ted DNA","Signaling by FGFR in disease","Generic Transcription Pathway","Insulin receptor signalling cascade","p53-Dependent G1/S DNA damage checkpoint","STING mediated induction of host immune respon
ses","Signaling by FGFR1 in disease","Transcriptional Regulation by TP53","IRS-mediated signalling","p53-Dependent G1 DNA Damage Response","IRF3-mediated induction of type I IFN","FGFR1 mutant recepto
r activation","Regulation of TP53 Activity","PI3K Cascade","Stabilization of p53","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Autodegradation of the 
E3 ubiquitin ligase COP1","Regulation of TP53 Degradation"}

> <broad_targets>
{ATM,PRKDC}

> <broad_moa>
{"ATM kinase inhibitor"}

> <synonyms>
{KU-55933,KU55933,587871-26-9,587871269,"ATM Kinase Inhibitor",2-Morpholino-6-(thianthren-1-yl)-4H-pyran-4-one,2Morpholino6(thianthren1yl)4Hpyran4one,"KU 55933",2-Morpholin-4-yl-6-thianthren-1-ylpyran
-4-one,2Morpholin4yl6thianthren1ylpyran4one,2-Morpholin-4-yl-6-thianthren-1-yl-pyran-4-one,"KU-55933 (ATM Kinase Inhibitor)","KU55933 (ATM Kinase Inhibitor)",UNII-O,UNIIO,T2685,S1092,"EMD 118500","Se 
S1092",3544,118500}

> <pdid>
PD003488

> <targets>
{ATM,"ATM Inhibitors"}

> <classes>
{}

> <pubchem_cids>
{5278396}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 57 60  0  0  1  0            999 V2000
   -8.8413   -2.4983    0.0000 C   0  0
   -9.6765   -1.2523    0.0000 O   0  0
   -9.0155    0.0951    0.0000 C   0  0  2  0  0  0
   -7.5187    0.1933    0.0000 C   0  0
   -6.8553    1.5387    0.0000 C   0  0  1  0  0  0
   -7.6888    2.7858    0.0000 C   0  0
   -9.1855    2.6876    0.0000 C   0  0
   -9.8489    1.3423    0.0000 C   0  0  1  0  0  0
  -11.3457    1.2441    0.0000 O   0  0
   -5.3575    1.6339    0.0000 C   0  0
   -4.5253    0.3848    0.0000 C   0  0
   -5.1910   -0.9594    0.0000 C   0  0
   -3.0300    0.4800    0.0000 C   0  0  1  0  0  0
   -2.2500    1.7900    0.0000 O   0  0
   -0.7700    1.7900    0.0000 C   0  0
    0.1282    0.5886    0.0000 O   0  0
   -0.3600    3.1800    0.0000 C   0  0  2  0  0  0
   -1.4000    4.1800    0.0000 C   0  0
   -1.0400    5.5700    0.0000 C   0  0
    0.3400    5.9800    0.0000 C   0  0
    1.3600    4.9600    0.0000 C   0  0
    0.9900    3.5700    0.0000 N   0  0
    2.0600    2.5800    0.0000 C   0  0
    1.8859    1.0901    0.0000 O   0  0
    3.3000    3.2800    0.0000 C   0  0
    3.3684    4.7784    0.0000 O   0  0
    4.5000    2.4500    0.0000 C   0  0  2  0  0  0
    4.6374    3.9437    0.0000 O   0  0
    4.3400    0.9300    0.0000 O   0  0
    5.6200    0.1000    0.0000 C   0  0  2  0  0  0
    5.5000   -1.4500    0.0000 C   0  0  2  0  0  0
    4.3000   -2.4200    0.0000 C   0  0
    4.5700   -3.9100    0.0000 C   0  0  1  0  0  0
    5.9693   -4.4504    0.0000 C   0  0
    3.4100   -4.8000    0.0000 C   0  0
    3.4100   -6.5900    0.0000 C   0  0
    1.2900   -6.0600    0.0000 C   0  0
   -0.4500   -6.6300    0.0000 C   0  0  1  0  0  0
   -0.7848   -8.0861    0.0000 C   0  0
    0.3142   -9.1081    0.0000 C   0  0
   -0.0202  -10.5704    0.0000 C   0  0
   -1.8700   -5.0300    0.0000 C   0  0
   -3.3364   -5.3457    0.0000 O   0  0
   -1.2100   -2.9100    0.0000 C   0  0
   -2.5600   -2.1500    0.0000 C   0  0  2  0  0  0
   -3.9640   -2.6781    0.0000 O   0  0
   -2.0600   -0.7300    0.0000 C   0  0  1  0  0  0
   -0.5813   -0.4783    0.0000 C   0  0
    4.3331   -7.7723    0.0000 C   0  0
    6.8303   -2.1506    0.0000 O   0  0
    7.6766   -1.6179    0.0000 C   0  0
    6.9800    0.7100    0.0000 C   0  0  2  0  0  0
    7.0800    2.2400    0.0000 C   0  0
    5.8600    3.0600    0.0000 C   0  0  1  0  0  0
    5.9875    4.5546    0.0000 C   0  0
    8.2040   -0.1575    0.0000 O   0  0
    8.1116   -1.1532    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  6
  5 10  1  1
 10 11  2  0
 11 12  1  0
 13 11  1  1
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  6
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  6
 27 29  1  0
 30 29  1  1
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  1
 33 35  1  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  1  1
 39 40  1  0
 40 41  2  0
 38 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  0
 45 46  1  6
 45 47  1  0
 47 13  1  0
 47 48  1  6
 36 49  1  0
 31 50  1  1
 50 51  1  0
 30 52  1  0
 52 53  1  0
 53 54  1  0
 54 27  1  0
 54 55  1  6
 52 56  1  6
 56 57  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15507

> <plate>
PLATE 003

> <well>
F3

> <supplier_cmpd_name>
Tacrolimus

> <ctcr_id>
269

> <supplier_cmpd_id>
T2144

> <smiles>
CO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(C)/[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)CC(=C/[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)/C)OC)[C@H](C[C@H]4C)OC

> <pd_targets>
{MTOR,RORC,CYP3A4,CYP3A43,CYP3A5,CYP3A7,FKBP1A,PPP3CA,FKBP5,FKBP1B,NR1I2,FTL,SF3B3,SLCO1B1,ABCC2,ABCB11}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein","Other nuclear protein",Transporter,Kinase,"Nuclear receptor","Cytochrome P450",Isomerase,Phosphatase,"Electrochemical transporter","Primary activ
e transporter","Protein Kinase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Protein Phosphatase","SLC superfamily of solute carriers","ATP-binding cassette","Atypical protein ki
nase group","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Serine/threonine protein phosphatase","Nuclear hormone receptor subfamily 1 group I","SLC21/SLCO family of organ
ic anion transporting polypeptides","ABCC subfamily","ABCB subfamily","Atypical protein kinase PIKK family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cytochrome P4
50 3A5","Nuclear hormone receptor subfamily 1 group I member 2","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Cytochrome P450","Peptidyl-prolyl cis/trans isomerases","SLC superfamily of solute carriers","ATP-binding cassette t
ransporter family",Atypical,"1F. Retinoic acid-related orphans","CYP3 family","1I. Vitamin D receptor-like receptors","SLCO family of organic anion transporting polypeptides","ABCC subfamily","ABCB su
bfamily","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,Disease,"Signal Transduction","Muscle contraction","Metabolism of proteins","Vesicle-mediated transport","Metabolism of RNA","RNA Polymerase II Transcript
ion","Biological oxidations","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by GPCR","Cardiac conduction","Post-translational protein modification","Memb
rane Trafficking","Metabolism of lipids","Processing of Capped Intron-Containing Pre-mRNA","Disorders of transmembrane transporters","Generic Transcription Pathway","Phase I - Functionalization of com
pounds","Signaling by TGF-beta Receptor Complex in Cancer","GPCR downstream signalling","Ion homeostasis",SUMOylation,"trans-Golgi Network Vesicle Budding","Biosynthesis of specialized proresolving me
diators (SPMs)","mRNA Splicing","Metabolism of steroids","ABC transporter disorders","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged by substrate
 type","Loss of Function of TGFBR1 in Cancer","G alpha (i) signalling events","Transcriptional Regulation by MECP2","SUMO E3 ligases SUMOylate target proteins","Golgi Associated Vesicle Biogenesis","B
iosynthesis of DHA-derived SPMs","mRNA Splicing - Major Pathway","Bile acid and bile salt metabolism","Defective ABCC2 causes DJS","Regulation of TP53 Activity","RUNX3 Regulates Immune Response and Ce
ll Migration",Xenobiotics,"TGFBR1 LBD Mutants in Cancer","Opioid Signalling","MECP2 regulates neuronal receptors and channels","SUMOylation of intracellular receptors","Biosynthesis of maresins","Recy
cling of bile acids and salts","Synthesis of bile acids and bile salts","Regulation of TP53 Expression and Degradation","DARPP-32 events","Biosynthesis of maresin-like SPMs","Synthesis of bile acids a
nd bile salts via 7alpha-hydroxycholesterol","Regulation of TP53 Degradation"}

> <broad_targets>
{FKBP1A}

> <broad_moa>
{"calcineurin inhibitor"}

> <synonyms>
{tacrolimus,Fujimycin,Prograf,104987-11-3,104987113,Protopic,FK506,"Tacrolimus anhydrous",Advagraf,Modigraf,Protopy,Fk-506,Fk506,"Anhydrous Tacrolimus","tacrolimus (fk506)","FK 506",FR-900506,FR900506
,8-DEETHYL-8-(BUT-3-ENYL)-ASCOMYCIN,8DEETHYL8(BUT3ENYL)ASCOMYCIN,UNII-Y5L2157C4J,UNIIY5L2157C4J,"Astagraf XL",FR,T2144,S5003,1503968,Tacrolimus,TACROLIMUS}

> <pdid>
PD002855

> <targets>
{}

> <classes>
{"immune suppressant",antifungal}

> <pubchem_cids>
{445643}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 11 12  0  0  0  0            999 V2000
   -0.2237   -5.5078    0.0000 O   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  3  1  0
 11  6  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15508

> <plate>
PLATE 003

> <well>
F4

> <supplier_cmpd_name>
Indole-3-carbinol

> <ctcr_id>
3059

> <supplier_cmpd_id>
T2947

> <smiles>
OCc1c[nH]c2ccccc12

> <pd_targets>
{AHR,TGR,LEF,AMPC}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,Protease,Hydrolase,"Metallo protease","Metallo protease MAE clan","Metallo protease M34 family"}

> <pathway_chembl>
{"Other protein targets","Aryl hydrocarbon receptor"}

> <pathway_reactome>
{Metabolism,Disease,"Biological oxidations","Infectious disease","Phase I - Functionalization of compounds","Uptake and actions of bacterial toxins","Cytochrome P450 - arranged by substrate type","Upt
ake and function of anthrax toxins","Endogenous sterols"}

> <broad_targets>
{AHR}

> <broad_moa>
{"aryl hydrocarbon receptor agonist","indoleamine 2","3-dioxygenase inhibitor"}

> <synonyms>
{NDOLE3CARBINO,Indole-3-carbinol,Indole3carbinol,700-06-1,700061,3-Indolemethanol,3Indolemethanol,INDOLE-3-METHANOL,INDOLE3METHANOL,(1H-Indol-3-yl)methanol,(1HIndol3yl)methanol,1H-indol-3-ylmethanol,1
Hindol3ylmethanol,3-Hydroxymethylindole,3Hydroxymethylindole,1H-Indole-3-methanol,1HIndole3methanol,3-Indolylcarbinol,3Indolylcarbinol,Indinol,3-(Hydroxymethyl)indole,3(Hydroxymethyl)indole,"3-Indole 
methanol","3Indole methanol","Indole 3 carbin",T2947,1505320,INDOLE-3-CARBINOL}

> <pdid>
PD000942

> <targets>
{Aryl Hydrocarbon Receptor,E1/E2/E3 Enzyme,Endogenous Metabolite,NF-ºB}

> <classes>
{antineoplastic,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{3712}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1968    1.5003    0.0000 C   0  0
   -5.1993    3.0004    0.0000 C   0  0
   -6.4995    3.7483    0.0000 C   0  0
   -7.7974    2.9963    0.0000 C   0  0
   -7.7950    1.4963    0.0000 C   0  0
   -9.0928    0.7442    0.0000 O   0  0
   -6.4948    0.7483    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -7.7926   -3.0046    0.0000 C   0  0
   -6.4923   -3.7525    0.0000 C   0  0
   -6.4900   -5.2525    0.0000 O   0  0
   -5.1945   -3.0005    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15  9  1  0
  8 16  1  0
 16 17  2  0
 17 18  1  0
 18  6  1  0
 18 19  2  0
 19  2  1  0
 16 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15509

> <plate>
PLATE 003

> <well>
F5

> <supplier_cmpd_name>
TG100-115

> <ctcr_id>
1500

> <supplier_cmpd_id>
T2672

> <smiles>
Nc1nc(N)c2nc(c3cccc(O)c3)c(nc2n1)c4cccc(O)c4

> <pd_targets>
{PIK3CA,PIK3CB,PIK3CD,AAK1,COQ8A,DYRK1A,MAP3K7,PIK3CG,EGFR,TNNI3K,ABL1,BRSK1,TYK2,STK16,PRKD3,MKNK2,CSNK1G1,TTK,MAP2K4,BRAF,CLK2,CSNK1A1,BRSK2,SRPK3,MAP3K19,CSNK1D,PTK6,RIOK1,CSNK1A1L,CLK1,ERBB2,LATS2
,GRK4,SRPK1,CSNK1G3,NEK1,PI4KB,PIK3C2G,MTOR,CSNK2A2,ERBB4,JAK1,MAP2K3,RPS6KA1,DYRK2,TAOK3,BMP2K,RIOK2,RIPK4,TAOK1,DYRK1B,RIPK2,MKNK1,CSNK1G2,PIP4K2B,LCK,CLK3,LATS1,RPS6KA6,CLK4,GAK,PIP4K2C,CSNK1E,PIP5
K1C,TRPM6,PIP5K1A,CSNK2A1,PIK3C2B,COQ8B,OXSR1}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transferase,Kinase,"Voltage-gated ion channel","Protein Kinase","Transient receptor potential channel","Other protein kinase group","Atypical protein kinase group","CMGC protein 
kinase group","TKL protein kinase group","TK protein kinase group","CAMK protein kinase group","CK1 protein kinase group","STE protein kinase group","AGC protein kinase group","Other protein kinase NA
K family","CMGC protein kinase DYRK family","TKL protein kinase MLK family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Abl family","CAMK protein kinase CAMK1 family","Tyrosine prot
ein kinase JakA family","CAMK protein kinase PKD family","CAMK protein kinase MAPKAPK family","CK1 protein kinase CK1 family","Other protein kinase TTK family","STE protein kinase STE7 family","TKL pr
otein kinase RAF family","CMGC protein kinase CLK family","CMGC protein kinase SRPK family","STE protein kinase STE11 family","Tyrosine protein kinase Src family","Atypical protein kinase RIO family",
"AGC protein kinase NDR family","AGC protein kinase GRK family","Other protein kinase NEK family","Atypical protein kinase PIKK family","Other protein kinase CK2 family","AGC protein kinase RSK family
","STE protein kinase STE20 family","TKL protein kinase RIPK family","Atypical protein kinase ABC1 family","CMGC protein kinase Dyrk1 subfamily","TKL protein kinase TAK1 subfamily","TKL protein kinase
 HH498 subfamily","CAMK protein kinase BRSK subfamily","CAMK protein kinase MNK subfamily","Atypical protein kinase RIO1 subfamily","CK1 protein kinase CK1-a","AGC protein kinase GRK subfamily","CK1 p
rotein kinase CK1-g","Atypical protein kinase FRAP subfamily","AGC protein kinase RSK subfamily","CMGC protein kinase Dyrk2 subfamily","STE protein kinase TAO subfamily","Atypical protein kinase RIO2 
subfamily","Atypical protein kinase ABC1-A subfamily","STE protein kinase FRAY subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Lipid modifying kinases","Receptor kinases",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependen
t protein kinases","CK1: Casein kinase 1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families",Phosphatidylinositol-4,"5-bisphosphate 3-kinase 
family","Other protein kinases","ABC1 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","CAMK-like (CAMKL) family
","Protein kinase D (PKD) family","MAPK-Activated Protein Kinase (MAPKAPK) family","Casein kinase 1 (CK1) family","STE7 family","CLK family","SRPK family","STE20 family","RIO family","NDR family","G p
rotein-coupled receptor kinases (GRKs)","1-phosphatidylinositol 4-kinase family","Phosphatidylinositol-4-phosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","RSK
 family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","Alpha kinase family","NAK family","ABC1-B
 subfamily","Dyrk1 subfamily","Mixed Lineage Kinase (MLK) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","BRSK subfamily","MKN subfamily","TTK family","RAF family",
"STE20 subfamily","RIO1 subfamily","GRK4 subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","FRAP subfamily","Casein kinase 2 (CK2) family","RSK subfamily","Dyrk2 subfamily","TAO
 subfamily","Numb-associated kinase (NAK) family","RIO2 subfamily","Receptor interacting protein kinase (RIPK) family","ChaK subfamily","FRAY subfamily","TAK1 subfamily","Type I RTKs: ErbB (epidermal 
growth factor) receptor family","HH498 subfamily","Abl family","Janus kinase (JakA) family","Src family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Immune System","Vesicle-mediated transport","Cell Cycle",Metabolism,"Metabolism of RNA","Developmental Biology","Gene expression (Transcription)","Neuronal System","Tra
nsport of small molecules","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","Membrane T
rafficking",Mitotic,"Innate Immune System","Metabolism of lipids","Signaling by GPCR","Infectious disease","rRNA processing","Nervous system development","Signaling by Hippo","RNA Polymerase II Transc
ription","Transmission across Chemical Synapses","Ion channel transport","Signaling by FGFR in disease","Signaling by Insulin receptor","Signaling by Interleukins","Clathrin-mediated endocytosis","Mit
otic G1 phase and G1/S transition","Toll-like Receptor Cascades","Phospholipid metabolism","GPCR downstream signalling","Leishmania infection","Interferon Signaling","Sphingolipid metabolism","Signali
ng by NTRKs","Signaling by WNT in cancer","Mitotic G2-G2/M phases","rRNA processing in the nucleus and cytosol","Axon guidance","Generic Transcription Pathway","Neurotransmitter receptors and postsyna
ptic signal transmission","M Phase","Signaling by FGFR","HIV Infection","trans-Golgi Network Vesicle Budding","Stimuli-sensing channels","Signaling by FGFR1 in disease","Insulin receptor signalling ca
scade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Cargo recognition for clathrin-mediated endocytosis","G0 and Early G1","Toll Like Receptor 4 (TLR4) Cascade","PI Metabolism","G alpha (q) sig
nalling events","Parasite infection","Interferon alpha/beta signaling","Sphingolipid de novo biosynthesis","Toll Like Receptor 5 (TLR5) Cascade","Signaling by NTRK1 (TRKA)","Signaling by AMER1 mutants
","G2/M Transition","G1 Phase","Major pathway of rRNA processing in the nucleolus and cytosol","Semaphorin interactions","G alpha (i) signalling events","Transcriptional Regulation by TP53","Activatio
n of NMDA receptors and postsynaptic events","Antiviral mechanism by IFN-stimulated genes","Mitotic Metaphase and Anaphase","Signaling by FGFR4","Host Interactions of HIV factors","Golgi Associated Ve
sicle Biogenesis","TRP channels","FGFR1 mutant receptor activation","IRS-mediated signalling","Interleukin receptor SHC signaling","MyD88-independent TLR4 cascade","Synthesis of PIPs at the plasma mem
brane","Gastrin-CREB signalling pathway via PKC and MAPK","Leishmania phagocytosis","Regulation of IFNA signaling","MyD88 cascade initiated on plasma membrane","Signalling to ERKs","Truncations of AME
R1 destabilize the destruction complex","Centrosome maturation","Cyclin D associated events in G1","Sema4D in semaphorin signaling","Visual phototransduction","Synthesis of PIPs at the Golgi membrane"
,"Regulation of TP53 Activity","Post NMDA receptor activation events","ISG15 antiviral mechanism","Mitotic Anaphase","Negative regulation of FGFR4 signaling","The role of Nef in HIV-1 replication and 
disease pathogenesis","SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","TRIF(TICAM1)-mediated TLR4 signaling","EGFR Tran
sactivation by Gastrin","FCGR3A-mediated phagocytosis","MAP kinase activation","Prolonged ERK activation events","Loss of proteins required for interphase microtubule organization from the centrosome"
,"Sema4D induced cell migration and growth-cone collapse","The phototransduction cascade","Regulation of TP53 Expression and Degradation","Regulation of TP53 Activity through Phosphorylation","Long-te
rm potentiation","Separation of Sister Chromatids","Spry regulation of FGF signaling","Regulation of TP53 Activity through Acetylation","Nef-mediates down modulation of cell surface receptors by recru
iting them to clathrin adapters","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","TRAF6-mediated induction of TAK1 complex within TLR4 complex","JNK (c-Jun kinases) 
phosphorylation and  activation mediated by activated human TAK1","ARMS-mediated activation","Loss of Nlp from mitotic centrosomes",Inactivation,"recovery and regulation of the phototransduction casca
de","Regulation of TP53 Degradation","activated TAK1 mediates p38 MAPK activation","MAPK targets/ Nuclear events mediated by MAP kinases","PI5P Regulates TP53 Acetylation","Nef Mediated CD4 Down-regul
ation","RSK activation","CREB phosphorylation"}

> <broad_targets>
{PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{G10011,TG100-115,TG100115,677297-51-7,677297517,TG-100115,"3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol","3,3'(2,4diaminopteridine6,7diyl)diphenol","3,3'-(2,4-DIAMINO-6,7-PTERIDINEDIYL)BISPHENOL","3,
3'(2,4DIAMINO6,7PTERIDINEDIYL)BISPHENOL","6,7-Bis(3-hydroxyphenyl)pteridine-2,4-diamine","6,7Bis(3hydroxyphenyl)pteridine2,4diamine","3-(2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl)phenol","3(2,4diam
ino7(3hydroxyphenyl)pteridin6yl)phenol",TG-100-115,UN,T2672,S1352}

> <pdid>
PD003378

> <targets>
{NULL,PI3K}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{10427712}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    8.1022    2.6072    0.0000 C   0  0
    7.3541    1.3071    0.0000 O   0  0
    5.8532    1.3040    0.0000 C   0  0
    5.1009    2.6017    0.0000 O   0  0
    5.1047    0.0031    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2526    1.3618    0.0000 C   0  0
   -6.2524    0.2436    0.0000 C   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -4.0317   -0.7359    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  8  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 17  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15510

> <plate>
PLATE 003

> <well>
F6

> <supplier_cmpd_name>
Nocodazole

> <ctcr_id>
11111

> <supplier_cmpd_id>
T2802

> <smiles>
COC(=O)Nc1nc2c([nH]1)cc(cc2)C(=O)c1cccs1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{HPGDS}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{nocodazole,31430-18-9,31430189,Oncodazole,"R 17934",Nocodazolum,Nocodazol,"NSC 238159","R 17,934",C14H11N3O3S,"Methyl N-(6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl)carbamate","Methyl N(6(thiophene
2carbonyl)1Hbenzimidazol2yl)carbamate","methyl (5-(thiophene-2-carbonyl)-1H-benzo(d)imidazol-2-yl)carbamate","methyl (5(thiophene2carbonyl)1Hbenzo(d)imidazol2yl)carbamate",UNII-,UNII,T2802,Nocodazole}

> <pdid>

> <targets>
{Abl,"Abl (E255K)","Abl (T315I)",microtubule}

> <classes>
{Angiogenesis,"Cytoskeletal Signaling"}

> <pubchem_cids>
{4122}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 29  0  0  1  0            999 V2000
   -1.3047   -9.7581    0.0000 C   0  0
   -1.3042   -8.2581    0.0000 C   0  0
   -2.6033   -7.5081    0.0000 C   0  0
   -0.0047   -7.5072    0.0000 C   0  0
   -0.0043   -6.0064    0.0000 C   0  0  2  0  0  0
    1.2952   -5.2556    0.0000 N   0  0
    1.2956   -3.7547    0.0000 C   0  0
   -0.0034   -3.0048    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    2.5973   -1.5030    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8935   -3.7569    0.0000 N   0  0
    3.8914   -5.2577    0.0000 C   0  0
    2.5911   -6.0055    0.0000 O   0  0
    5.1896   -6.0107    0.0000 C   0  0
    5.1898   -7.5108    0.0000 C   0  0
    6.4888   -8.2607    0.0000 N   0  0
    7.7878   -7.5107    0.0000 C   0  0
    7.7878   -6.0107    0.0000 C   0  0
    6.4888   -5.2607    0.0000 N   0  0
   -1.3025   -5.2533    0.0000 B   0  0
   -1.3004   -3.7533    0.0000 O   0  0
   -2.6029   -6.0011    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
  9 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
  5 26  1  0
 26 27  1  0
 26 28  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15511

> <plate>
PLATE 003

> <well>
F7

> <supplier_cmpd_name>
Bortezomib

> <ctcr_id>
2910

> <supplier_cmpd_id>
T2399

> <smiles>
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O

> <pd_targets>
{ELANE,CTSG,CMA1,PSMB8,PSMB1,ADRM1,PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB10,PSMB11,PSMB2,PSMB3,PSMB4,PSMB5,PSMB6,PSMB7,PSMB9,PSMC1,PSMC2,PSMC3,PSMC4,PSMC5,PSMC6,PSMD1,PSMD11,PSMD12,PSMD1
3,PSMD14,PSMD2,PSMD3,PSMD4,PSMD6,PSMD7,PSMD8,SEM1,CTSA,CA7,MTCA1,CA5A,CA1,CA3,CA5B,CA14,CA2,CA12,F2,CA4,CTRB1,CA9,CA13,CA6,CA15,NFKB1,NFKB2,RELA}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Protease,Lyase,Hydrolase,"Serine protease","Threonine protease","Metallo protease","Serine protease PA clan","Threonine protease PBT clan","Metallo protease MP clan",
"Serine protease SC clan","Serine protease S1A subfamily","Threonine protease T1A subfamily","Metallo protease M67 family","Serine protease S10 family","Threonine protease T1B subfamily","Metallo prot
ease M67A subfamily"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Peptidases and proteinases","Carbonic anhydrases","Anti-infective targets","PA: Serine (S) Peptidases","PB: Threonine (T) Peptidases","SC: Serine (S) Peptidases","Ant
imalarial targets","S1: Chymotrypsin","T1: Proteasome","S10: Carboxypeptidase Y","Other antimalarial targets"}

> <pathway_reactome>
{"Immune System",Disease,"Extracellular matrix organization","Cell Cycle","Metabolism of proteins",Metabolism,"Transport of small molecules","Cellular responses to external stimuli","Innate Immune Sys
tem","Infectious disease","Degradation of the extracellular matrix",Mitotic,"Post-translational protein modification","Reversible hydration of carbon dioxide","Cytokine Signaling in Immune system","O2
/CO2 exchange in erythrocytes","Diseases of hemostasis","Metabolism of vitamins and cofactors","Cellular responses to stress","Complement cascade","Infection with Mycobacterium tuberculosis","Activati
on of Matrix Metalloproteinases","Regulation of mitotic cell cycle","Asparagine N-linked glycosylation","Signaling by Interleukins","Erythrocytes take up carbon dioxide and release oxygen","Defects of
 contact activation system (CAS) and kallikrein/kinin system (KKS)","Metabolism of water-soluble vitamins and cofactors","Cellular response to hypoxia","Regulation of Complement cascade","Response of 
Mtb to phagocytosis","APC/C-mediated degradation of cell cycle proteins","Biosynthesis of the N-glycan precursor (dolichol lipid-linked oligosaccharide","LLO) and transfer to a nascent protein","Inter
leukin-12 family signaling","Defective factor VIII causes hemophilia A","Cobalamin (Cbl","vitamin B12) transport and metabolism","Regulation of gene expression by Hypoxia-inducible Factor","Suppressio
n of apoptosis","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Synthesis of substrates in N-glycan biosythesis","Interleukin-12 signaling","Defective F8 cleavage by th
rombin","APC/C:Cdc20 mediated degradation of mitotic proteins","Sialic acid metabolism","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","APC:Cdc20 mediated degrada
tion of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB1,PSMB10,PSMB11,PSMB2,PSMB3,PSMB4,PSMB5,PSMB6,PSMB7,PSMB8,PSMB9,PSMD1,PSMD2,RELA}

> <broad_moa>
{"NFkB pathway inhibitor","proteasome inhibitor"}

> <synonyms>
{Bortezomib,179324-69-7,179324697,Velcade,PS-341,PS341,LDP-341,LDP341,"Bortezomib (PS-341)","Bortezomib (PS341)","Ps 341",UNII-69G8BD63PP,UNII69G8BD63PP,"Bortezomib (Velcade)",MLN-341,MLN341,MG-341,MG
341,NSC-681239,NSC681239,69G8BD63PP,CHEMBL325041,"Peptide boronate",CHEBI:52717,MFCD09056737,NCGC00242506-02,NCGC0024250602,S1013,DS,T2399,10008822,681239,"NSC 681239",bortezomib,BORTEZOMIB}

> <pdid>
PD003632

> <targets>
{Proteasome Inhibitors,Apoptosis,Autophagy,NF-ºB,Proteasome}

> <classes>
{Proteasome inhibitor,Apoptosis,Autophagy,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{387447}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 38 43  0  0  0  0            999 V2000
    5.2311   -3.4009    0.0000 C   0  0
    3.8056   -3.8679    0.0000 C   0  0
    3.3372   -5.2929    0.0000 C   0  0
    1.8372   -5.2877    0.0000 C   0  0
    1.3786   -3.8595    0.0000 N   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 N   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -0.0072    7.5016    0.0000 C   0  0
    0.7390    8.7116    0.0000 C   0  0
   -0.7610    8.7069    0.0000 C   0  0
    0.9508   -6.4988    0.0000 C   0  0
    1.3101   -7.9371    0.0000 N   0  0
    0.0286   -8.7167    0.0000 C   0  0
   -1.1089   -7.7388    0.0000 N   0  0
   -0.5304   -6.3549    0.0000 O   0  0
   -0.0940  -10.2124    0.0000 C   0  0
    1.0684  -11.1526    0.0000 C   0  0
    0.8337  -12.6341    0.0000 C   0  0
   -0.5667  -13.1716    0.0000 C   0  0
   -1.7324  -12.2276    0.0000 C   0  0
   -1.4977  -10.7461    0.0000 C   0  0
   -0.8045  -14.6535    0.0000 O   0  0
   -2.2064  -15.1893    0.0000 C   0  0
   -2.4442  -16.6704    0.0000 F   0  0
   -3.3705  -14.2433    0.0000 F   0  0
   -3.6078  -15.7242    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 10 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 20  1  0
  4 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 23  1  0
 25 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 31 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 35 38  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15512

> <plate>
PLATE 003

> <well>
F8

> <supplier_cmpd_name>
BAY 87-2243

> <ctcr_id>
11404

> <supplier_cmpd_id>
T2488

> <smiles>
Cc1cc(nn1Cc1cc(ncc1)N1CCN(CC1)C1CC1)c1nc(no1)c1ccc(cc1)OC(F)(F)F

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{HIF1A}

> <broad_moa>
{"hypoxia inducible factor inhibitor"}

> <synonyms>
{"AY 87224",C26H26F3N7O2,"BAY 87-2243","BAY 872243",1227158-85-1,1227158851,BAY87-2243,BAY872243,bay-87-2243,bay872243,SCHEMBL2359661,CHEMBL4303384,AOB5910,BCP09519,EX-A2031,EXA2031,2255AH,NSC781016,N
SC795507,s7309,ZINC68206550,AKOS026750511,CCG-269886,CCG269886,NSC-781016,NSC-795507,NCGC00378636-03,NCGC0037863603,AK547118,BS-15,BS15,T2488}

> <pdid>
PD063208

> <targets>
{HIF-1¦Á,Ferroptosis,HIF/HIF Prolyl-Hydroxylase}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{67377767}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 42 45  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0  2  0  0  0
    3.8971    3.7500    0.0000 C   0  0
    3.8971    5.2500    0.0000 C   0  0
    5.1961    6.0001    0.0000 C   0  0
    5.1961    7.5001    0.0000 C   0  0
    3.8970    8.2500    0.0000 C   0  0
    3.9001    9.7509    0.0000 N   0  0
    5.2009   10.4995    0.0000 C   0  0
    6.4987    9.7472    0.0000 O   0  0
    5.2040   12.0003    0.0000 C   0  0
    6.5048   12.7488    0.0000 N   0  0
    6.5079   14.2497    0.0000 C   0  0
    7.8080   14.9978    0.0000 C   0  0
    6.5102   15.7497    0.0000 C   0  0
    5.2101   15.0019    0.0000 C   0  0
    2.5980    7.5000    0.0000 C   0  0
    1.2990    8.2500    0.0000 O   0  0
    2.5980    6.0000    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 O   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 N   0  0
   -2.5951   -3.0031    0.0000 O   0  0
    6.4974    5.2523    0.0000 N   0  0
    7.7954    6.0042    0.0000 C   0  0
    6.5001    3.7523    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  4  2  1  6
  4  5  1  0
  5  6  1  1
  7  6  1  1
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 12 22  1  0
 22 23  1  0
 22 24  2  0
 24  9  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27  7  1  0
 27 28  2  3
 28 29  1  0
 28 30  1  0
 30  5  1  0
 30 31  1  6
 30 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  3
 35  4  1  0
 35 36  1  0
 34 37  1  0
 37 38  1  0
 37 39  2  0
 10 40  1  0
 40 41  1  0
 40 42  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15513

> <plate>
PLATE 003

> <well>
F9

> <supplier_cmpd_name>
Tigecycline

> <ctcr_id>
7127

> <supplier_cmpd_id>
T1569

> <smiles>
CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(NC(=O)CNC(C)(C)C)c(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(N)=O)N(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AYGAR93,"AY GAR 93",T1C,PubChem21336,Tigecycline,220620-09-7,220620097,"220620 09 7",Tygacil,WAY-GAR-936,WAYGAR936,"WAY GAR 936",GAR-936,GAR936,"GAR 936",TBG-MINO,TBGMINO,"TBG MINO",CHEBI:149836,"Tig
ecycline hydrate",UNII-70JE2N95KR,UNII70JE2N95KR,UNII70JE2N,S1403}

> <pdid>
PD001132

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{54686904}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 39 44  0  0  0  0            999 V2000
    4.8086   -5.7146    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
    0.7130   -8.3588    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
    1.2449   -5.8157    0.0000 C   0  0
    1.1815   -9.7846    0.0000 C   0  0
    2.6502  -10.0894    0.0000 C   0  0
    3.1207  -11.5137    0.0000 C   0  0
    2.1224  -12.6333    0.0000 C   0  0
    0.6537  -12.3286    0.0000 C   0  0
    0.1832  -10.9042    0.0000 C   0  0
   -1.2869  -10.6024    0.0000 C   0  0
   -1.7599   -9.1790    0.0000 O   0  0
   -2.2836  -11.7235    0.0000 O   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.9492    0.8772    0.0000 N   0  0
   -4.9539    1.9899    0.0000 C   0  0
   -6.4539    1.9875    0.0000 C   0  0
   -7.2060    3.2854    0.0000 C   0  0
   -6.4580    4.5856    0.0000 C   0  0
   -4.9580    4.5880    0.0000 C   0  0
   -4.2060    3.2901    0.0000 C   0  0
   -2.7390    2.9810    0.0000 N   0  0
   -1.6200    3.9799    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  6  1  0
 12 13  1  0
 13  4  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 10 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 32  1  0
 37 38  1  0
 38 30  1  0
 38 39  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15514

> <plate>
PLATE 003

> <well>
F10

> <supplier_cmpd_name>
Telmisartan

> <ctcr_id>
6179

> <supplier_cmpd_id>
T1570

> <smiles>
CCCc1nc2c(C)cc(cc2n1Cc3ccc(cc3)c4ccccc4C(O)=O)c5nc6ccccc6n5C

> <pd_targets>
{PPARG,AGTR1,HSD17B10,CYP3A4,CYP2J2,CYP2C9,AGTR2,AGTR1A,AGTR1B,KDM4E,ACE,ABCB11,ALDH1A1,NPSR1,MAPK1,GLRA1,SLCO1B3,SLCO1B1,SLC47A1,ABCC3,ABCC4}

> <pathway_gtopdb>
{"Transcription factor","Membrane receptor",Enzyme,"Epigenetic regulator",Transporter,"Ion channel","Nuclear receptor","Family A G protein-coupled receptor",Oxidoreductase,"Cytochrome P450",Eraser,Pro
tease,"Primary active transporter",Kinase,"Ligand-gated ion channel","Electrochemical transporter","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Cytochrome P450 family 3",
"Cytochrome P450 family 2","Lysine demethylase","Metallo protease","ATP-binding cassette","Protein Kinase","Glycine receptor","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1
 group C","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Jumonji domain-containing","Metallo protease MAE clan","ABCB subfamily","CMGC protein kinase
 group","SLC21/SLCO family of organic anion transporting polypeptides","SLC47 family of multidrug and toxin extrusion transporters","ABCC subfamily","Nuclear hormone receptor subfamily 1 group C membe
r 3","Angiotensin receptor","Cytochrome P450 3A4","Cytochrome P450 2C9","Metallo protease M2 family","Neuropeptide receptor","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Ion channels","Nuclear hormone receptors","G protein-coupled receptors","Cytochrome P450","Chromatin modifying enzymes","Peptidases and proteinases","ATP-binding casse
tte transporter family","Kinases (EC 2.7.x.x)","Ligand-gated ion channels","SLC superfamily of solute carriers","1C. Peroxisome proliferator-activated receptors","Angiotensin receptors","CYP3 family",
"CYP2 family: drug metabolising subset","1.14.11.- Histone demethylases","MA: Metallo (M) Peptidases","ABCB subfamily","Neuropeptide S receptor","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Glycin
e receptors","SLCO family of organic anion transporting polypeptides","SLC47 family of multidrug and toxin extrusion transporters","ABCC subfamily","M2: Angiotensin-converting  (ACE and ACE2)","Mitoge
n-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction",Metabolism,"Metabolism of proteins",Disease,"Immune System","Neuronal System","Transport of small molecules",Hemostasis,"RNA Polymerase II Tran
scription","Signaling by GPCR","Metabolism of amino acids and derivatives","Metabolism of lipids","Biological oxidations","Peptide hormone metabolism","Infectious disease","Innate Immune System","Tran
smission across Chemical Synapses","SLC-mediated transmembrane transport","Platelet activation","signaling and aggregation","Generic Transcription Pathway","GPCR ligand binding","Branched-chain amino 
acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Metabolism of Angiotensinogen to Angiotensins","Metabolism of steroids","Leishm
ania infection","Toll-like Receptor Cascades","Neurotransmitter receptors and postsynaptic signal transmission","Transport of bile salts and organic acids","metal ions and amine compounds","Response t
o elevated platelet cytosolic Ca2+","Transcriptional Regulation by MECP2","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Bile
 acid and bile salt metabolism","Ethanol oxidation","Leishmania parasite growth and survival","Toll Like Receptor 5 (TLR5) Cascade","Platelet degranulation","MECP2 regulates transcription factors","Pe
ptide ligand-binding receptors","Biosynthesis of maresins","Fatty acids",Xenobiotics,"Synthesis of bile acids and bile salts","Anti-inflammatory response favouring Leishmania parasite infection","MyD8
8 cascade initiated on plasma membrane","Recycling of bile acids and salts","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol
","ADORA2B mediated anti-inflammatory cytokines production","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{AGTR1,PPARG}

> <broad_moa>
{"angiotensin receptor antagonist"}

> <synonyms>
{Telmisartan,144701-48-4,144701484,Micardis,Pritor,"BIBR 277",Kinzalmono,BIBR-277,BIBR277,"BIBR 277SE",Telmisattan,"Telmisartan (INN)",UNII-U5SYW473RQ,UNIIU5SYW473RQ,BIBR-277SE,BIBR277SE,BIBR-277-SE,C
33H30N4O2,MFCD00918125,CHEMBL1017,U5SYW473RQ,"BIBR 277 SE",CHEBI:9434,tolura,NCGC000951,T1570,SAM001246602,1505261,Prestw-1350,CPD000466326,TELMISARTAN}

> <pdid>
PD000538

> <targets>
{}

> <classes>
{antihypertensive,"angiotensin II blocker"}

> <pubchem_cids>
{65999}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
    9.0769  -12.7722    0.0000 O   0  0
    7.7794  -12.0195    0.0000 N   0  0
    7.7815  -10.5187    0.0000 C   0  0
    9.0819   -9.7710    0.0000 O   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15515

> <plate>
PLATE 003

> <well>
F11

> <supplier_cmpd_name>
Vorinostat

> <ctcr_id>
1952

> <supplier_cmpd_id>
T1583

> <smiles>
ONC(=O)CCCCCCC(=O)Nc1ccccc1

> <pd_targets>
{GLI1,HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9,BRD4,HDA106,NCOR2,NCOR1,HDAH,LTA4H,KDM4E,NR0B1,NR1I2,HD1B,RCOR3,CYP3A4,CFTR,PAX8}

> <pathway_gtopdb>
{"Transcription factor","Epigenetic regulator",Enzyme,"Ion channel","Unclassified protein",Eraser,Reader,Hydrolase,Protease,"Nuclear receptor","Cytochrome P450","Other ion channel","Histone deacetylas
e",Bromodomain,"Metallo protease","Lysine demethylase","Nuclear hormone receptor subfamily 0","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Chloride channel","HDAC class I","HDAC 
class IV","HDAC class IIb","HDAC class IIa","Metallo protease MAE clan","Jumonji domain-containing","Nuclear hormone receptor subfamily 0 group B","Nuclear hormone receptor subfamily 1 group I","Cytoc
hrome P450 family 3A","Cystic fibrosis transmembrane conductance regulator","Metallo protease M1 family","Nuclear hormone receptor subfamily 0 group B member 1","Nuclear hormone receptor subfamily 1 g
roup I member 2","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Other protein targets","Chromatin modifying enzymes","Peptidases and proteinases","Nuclear hormone receptors","Cytochrome P450","Other ion channels","Anti-infective 
targets","3.5.1.- Histone deacetylases (HDACs)","Enzymatic bromodomain-containing proteins","MA: Metallo (M) Peptidases","1.14.11.- Histone demethylases","0B. DAX-like receptors","1I. Vitamin D recept
or-like receptors","CYP3 family","Chloride channels","Antimalarial targets","Bromodomain kinase (BRDK) family","M1: Aminopeptidase N",CFTR,"Histone deacetylases (HDACs) (<i>Plasmodium</i> spp.)"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Cell Cycle",Disease,Metabolism,"Metabolism of proteins",Autophagy,"Signaling by Hedgehog","RNA Polymerase II Transcription",Mitotic,"Disorders
 of Developmental Biology","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","Post-translational protein modification",Macr
oautophagy,"Hedgehog 'off' state","Generic Transcription Pathway","M Phase","Disorders of Nervous System Development","SARS-CoV Infections","Signaling by NOTCH1 in Cancer","Biosynthesis of specialized
 proresolving mediators (SPMs)",SUMOylation,"Selective autophagy","Degradation of GLI1 by the proteasome","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Pervasive developmental
 disorders","Potential therapeutics for SARS","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Transcriptional regulation by RUNX2","Biosynthesis of DHA-derived SPMs","Nuclear Receptor transcri
ption pathway","SUMO E3 ligases SUMOylate target proteins",Aggrephagy,"Regulation of TP53 Activity","Mitotic Anaphase","Loss of function of MECP2 in Rett syndrome","Constitutive Signaling by NOTCH1 HD
+PEST Domain Mutants","RUNX2 regulates bone development","Biosynthesis of aspirin-triggered D-series resolvins","SUMOylation of intracellular receptors","Biosynthesis of maresins","Regulation of TP53 
Activity through Acetylation","Separation of Sister Chromatids","Loss of MECP2 binding ability to the NCoR/SMRT complex","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates osteoblast differen
tiation","RUNX2 regulates chondrocyte maturation","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC5,HDAC6,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Vorinostat,149647-78-9,149647789,SAHA,"suberoylanilide hydroxamic acid",Zolinza,N-hydroxy-N'-phenyloctanediamide,NhydroxyN'phenyloctanediamide,"Suberanilohydroxamic acid",N1-hydroxy-N8-phenyloctanedi
amide,N1hydroxyN8phenyloctanediamide,MK-0683,MK0683,"Vorinostat (SAHA, MK0683)","Octanediamide, N-hydroxy-N'-phenyl-","Octanediamide, NhydroxyN'phenyl",N,T1583,701852,10009929,S1047,Prestw-1362,"NSC 7
01852",vorinostat,VORINOSTAT,"SAHA, Zolinza, Vorinostat"}

> <pdid>
PD001323

> <targets>
{HDAC Inhibitors,Autophagy,HDAC,Apoptosis,Filovirus,Mitophagy}

> <classes>
{Epigenetics,HDAC inhibitor,Anti-infection,Apoptosis,Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{5311}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    3.8978   -2.2504    0.0000 N   0  0
    2.5988   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2526    1.3618    0.0000 C   0  0
   -6.2524    0.2436    0.0000 N   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -4.0317   -0.7359    0.0000 N   0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 C   0  0
   -2.6047    7.4994    0.0000 C   0  0
   -2.6053    8.9994    0.0000 N   0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
  9 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  3  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15516

> <plate>
PLATE 003

> <well>
G2

> <supplier_cmpd_name>
Letrozole

> <ctcr_id>
4575

> <supplier_cmpd_id>
T1590

> <smiles>
N#Cc1ccc(cc1)C(n2cncn2)c3ccc(cc3)C#N

> <pd_targets>
{CYP19A1,TSHR,CYP2C19,CYP3A4,CYP11B2,CYP11B1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Cytochrome P450","Family A G protein-coupled receptor","Cytochrome P450 family 19","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Cytochrome P450 family 3"
,"Cytochrome P450 family 11","Cytochrome P450 family 19A","Glycohormone receptor","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Cytochrome P450 family 11B","Cytochrome P450 19A1","Cytochrom
e P450 2C19","Cytochrome P450 3A4","Cytochrome P450 11B2","Cytochrome P450 11B1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","Glycoprotein hormone receptors","CYP2 family: drug metabolising subset","CYP3 family"}

> <pathway_reactome>
{Metabolism,Disease,"Biological oxidations","Infectious disease","Metabolism of lipids","Phase I - Functionalization of compounds","Leishmania infection","Biosynthesis of specialized proresolving medi
ators (SPMs)","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Endogenous sterols","Anti-inflammatory response favouring Lei
shmania parasite infection",Xenobiotics,"Biosynthesis of maresins","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{CYP19A1}

> <broad_moa>
{"aromatase inhibitor"}

> <synonyms>
{112809-51-5,112809515,Femara,"4,4'-((1h-1,2,4-triazol-1-yl)methylene)dibenzonitrile","4,4'((1h1,2,4triazol1yl)methylene)dibenzonitrile",Letrozol,"CGS 20267",CGS-20267,CGS20267,"4-((4-cyanophenyl)-(1,
2,4-triazol-1-yl)methyl)benzonitrile","4((4cyanophenyl)(1,2,4triazol1yl)methyl)benzonitrile",LETRAZOLE,Femera,Benzonitrile,4,4'-(1H-1,4'(1H1,2,4-triazol-1-ylmethyl,4triazol1ylmethyl,T1590,719345,SAM00
1246649,Prestw-1025,"NSC 719345",Letrozole,CPD000466343}

> <pdid>
PD001661

> <targets>
{Aromatase,Autophagy}

> <classes>
{Non-steroidal aromatase inhibitor,Autophagy,Others}

> <pubchem_cids>
{3902}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 17 18  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1979    1.4986    0.0000 C   0  0  2  0  0  0
   -6.4957    0.7465    0.0000 C   0  0
   -5.2009    2.9995    0.0000 C   0  0
   -3.9031    3.7516    0.0000 O   0  0
   -6.5009    3.7477    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  6  1  0
 11 12  2  0
 12  3  1  0
  8 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 15 17  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15517

> <plate>
PLATE 003

> <well>
G3

> <supplier_cmpd_name>
Naproxen

> <ctcr_id>
4878

> <supplier_cmpd_id>
T1582

> <smiles>
COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O

> <pd_targets>
{MAPT,LMNA,TSHR,LEF,PTGS2,PTGS1,PTGDS,AKR1C2,CYP1A2,ALOX5,AKR1C3,LIPE,SLC22A6,AMPC,RAB7A,CDC42,RAB2A,RAC1}

> <pathway_gtopdb>
{"Other cytosolic protein","Other nuclear protein","Membrane receptor",Enzyme,Transporter,"Family A G protein-coupled receptor",Protease,Oxidoreductase,Isomerase,"Cytochrome P450",Hydrolase,"Electroch
emical transporter","Peptide receptor (family A GPCR)","Metallo protease","Cytochrome P450 family 1","SLC superfamily of solute carriers","Glycohormone receptor","Metallo protease MAE clan","Cytochrom
e P450 family 1A","SLC22 family of organic cation and anion transporters","Metallo protease M34 family","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Eicosanoid turnover","Cytochrome P450",Hydrolases,"SLC superfamily of solute carriers","Glycoprotein hormone receptors",Cyclooxygenase,"P
rostaglandin synthases","CYP1 family",Lipoxygenases,"SLC22 family of organic cation and anion transporters","Organic anion transporters (OATs)"}

> <pathway_reactome>
{"Neuronal System","Cell Cycle",Disease,Metabolism,"Transport of small molecules","Transmission across Chemical Synapses",Mitotic,"Infectious disease","Metabolism of lipids","Biological oxidations","S
LC-mediated transmembrane transport","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","Leishmania infection","Uptake and actions of bacterial toxins","Biosynthesis of specia
lized proresolving mediators (SPMs)","Fatty acid metabolism","Metabolism of steroids","Phase I - Functionalization of compounds","Triglyceride metabolism","Transport of bile salts and organic acids","
metal ions and amine compounds","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Uptake and function of anthrax toxins
","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Bile acid and bile salt metabolism","Cytochrome P450 - arranged by substrate type","Triglyceride catabolism","Organic cation/anion/z
witterion transport","Post NMDA receptor activation events","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostagl
andins (PG) and Thromboxanes (TX)","Synthesis of bile acids and bile salts",Xenobiotics,"Organic anion transport","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","ADORA2B 
mediated anti-inflammatory cytokines production","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of 
DPAn-3-derived 13-series resolvins","Initiation of Nuclear Envelope (NE) Reformation","Developmental Biology","Nervous system development","Infection with Mycobacterium tuberculosis","Axon guidance","
Response of Mtb to phagocytosis","Parasite infection","Mitotic Prophase","Semaphorin interactions","Suppression of phagosomal maturation","Leishmania phagocytosis","Golgi Cisternae Pericentriolar Stac
k Reorganization","Sema4D in semaphorin signaling","Prevention of phagosomal-lysosomal fusion","FCGR3A-mediated phagocytosis","Sema4D mediated inhibition of cell attachment and migration"}

> <broad_targets>
{PTGS1,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{NAPROXEN,22204-53-1,22204531,(S)-Naproxen,(S)Naproxen,(+)-Naproxen,(+)Naproxen,Naprosyn,Equiproxen,Naproxene,Aleve,(S)-(+)-Naproxen,(S)(+)Naproxen,"(S)-(+)-2-(6-Methoxy-2-naphthyl)propionic acid","(S
)(+)2(6Methoxy2naphthyl)propionic acid",Laraflex,"(S)-2-(6-methoxynaphthalen-2-yl)propanoic acid","(S)2(6methoxynaphthalen2yl)propanoic acid",d-Naproxen,dNaproxen,Naproxenum,Calosen,Naprosy,T1582,T085
5,1500425,Naproxen,(R)-Naproxen,NAPROXEN(+)}

> <pdid>
PD001844

> <targets>
{}

> <classes>
{analgesic,antiinflammatory,antipyretic}

> <pubchem_cids>
{156391}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 18  0  0  1  0            999 V2000
    8.4865   -2.2179    0.0000 Cl  0  5
   -0.7146   -7.4363    0.0000 O   0  0
    0.6566   -6.8281    0.0000 C   0  0
    0.8163   -5.3384    0.0000 C   0  0  1  0  0  0
   -0.2984   -4.3347    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0  2  0  0  0
    1.8032   -3.1233    0.0000 C   0  0  1  0  0  0
    2.4133   -1.7530    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    2.1153   -4.5884    0.0000 C   0  0  2  0  0  0
    3.4858   -5.1982    0.0000 O   0  0
    5.9865   -2.2179    0.0000 H   0  3
  2  3  1  0
  4  3  1  1
  4  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  1
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15  6  1  0
 15  9  1  0
  7 16  1  0
 16  4  1  0
 16 17  1  6
M  CHG  2   1  -1  18   1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15518

> <plate>
PLATE 003

> <well>
G4

> <supplier_cmpd_name>
Cyclocytidine hydrochloride

> <ctcr_id>
7156

> <supplier_cmpd_id>
T1591

> <smiles>
[Cl-].OC[C@H]1O[C@@H]2[C@@H](OC3=NC(=N)C=CN23)[C@@H]1O.[H+]

> <pd_targets>
{LMNA,KMT2A,SKA,MTOR}

> <pathway_gtopdb>
{"Other nuclear protein","Epigenetic regulator",Enzyme,Reader,Kinase,Bromodomain,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP su
bfamily"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","2.1.1.43 Histone methyltransferases (HMTs)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Mitotic,"RNA Polymerase II Transcription","M Phase","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX
1","Transcriptional Regulation by TP53","Mitotic Anaphase","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Regulation of TP53 Activity","Nuclear Envelope (NE) 
Reassembly","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{}

> <broad_moa>
{"DNA synthesis inhibitor","RNA synthesis inhibitor"}

> <synonyms>
{"Cyclocytidine hydrochloride",Cyclocytidine,10212-25-6,10212256,"ANCITABINE HYDROCHLORIDE","ancitabine HCl","2,2'-O-Cyclocytidine hydrochloride","2,2'OCyclocytidine hydrochloride","OCTD hydrochloride
","Ancitabin hydrochlorid","Cyclo-cmp hydrochloride","Cyclocmp hydrochloride","Ancitabine (hydrochloride)",S1973,"Cyclocytidine HCl"}

> <pdid>
PD010430

> <targets>
{Others,Autophagy,CMV}

> <classes>
{Anti-infection,Autophagy}

> <pubchem_cids>
{25050,24820136,74764394}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    5.1873   -7.5109    0.0000 Cl  0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    5.1959   -3.0115    0.0000 N   0  0
    6.4926   -3.7656    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15519

> <plate>
PLATE 003

> <well>
G5

> <supplier_cmpd_name>
Lomustine

> <ctcr_id>
1274

> <supplier_cmpd_id>
T1601

> <smiles>
ClCCN(N=O)C(=O)NC1CCCCC1

> <pd_targets>
{STMN4}

> <pathway_gtopdb>
{}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AKOS005766022,Tox21_112470_1,Tox211124701,Tox21-112470-1,"Tox21 112470 1",lomustine,13010-47-4,13010474,1-(2-Chloroethyl)-3-cyclohexyl-1-nitrosourea,1(2Chloroethyl)3cyclohexyl1nitrosourea,Belustine,C
CNU,CeeNU,Cecenu,CINU,Chloroethylcyclohexylnitrosourea,"Urea, N-(2-chloroethyl)-N'-cyclohexyl-N-nitroso-","Urea, N(2chloroethyl)N'cyclohexylNnitroso",Lomustina,Lomustinum,Lomustinu,T1601,79037,"NSC 79
037",Lomustine}

> <pdid>
PD001312

> <targets>
{Apoptosis,Autophagy,DNA Alkylator/Crosslinker}

> <classes>
{Alkylating agent,Apoptosis,Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{3950}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 11  9  0  0  0  0            999 V2000
   10.2999    1.5017    0.0000 Na  0  3
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7992    0.0004    0.0000 C   0  0
    3.9031    2.2508    0.0000 C   0  0
    2.6053    3.0031    0.0000 O   0  5
    5.2032    2.9990    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  2  0
M  CHG  2   1   1  10  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15520

> <plate>
PLATE 003

> <well>
G6

> <supplier_cmpd_name>
Valproic acid sodium salt

> <ctcr_id>
3725

> <supplier_cmpd_id>
T1602

> <smiles>
[Na+].CCCC(CCC)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Sodium valproate","Sodium 2-propylpentanoate","Sodium 2propylpentanoate",1069-66-5,1069665,"Valproate sodium","Valproic acid sodium salt","Valproic acid sodium",Epilim,"Valproic Acid (sodium salt)",
"Pentanoic acid, 2-propyl-, sodium salt","Pentanoic acid, 2propyl, sodium salt","Sodium 2-propylvalerate","Sodium 2propylvalerate",2-Pr,2Pr,T1602,1500606,"VALPROATE SODIUM"}

> <pdid>

> <targets>
{}

> <classes>
{anticonvulsant}

> <pubchem_cids>
{16760703}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
    8.2751   -4.8006    0.0000 O   0  0
    6.9736   -5.5462    0.0000 C   0  0  1  0  0  0
    5.6766   -4.7910    0.0000 C   0  0
    5.6812   -3.2902    0.0000 C   0  0
    4.3895   -2.5380    0.0000 C   0  0  2  0  0  0
    4.0035   -1.0885    0.0000 C   0  0  2  0  0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.9400   -2.9240    0.0000 C   0  0
    2.1718   -4.2123    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    4.7397    0.2193    0.0000 C   0  0
    4.2416    1.6213    0.0000 C   0  0
    5.2155    2.7621    0.0000 C   0  0
    6.6905    2.4891    0.0000 C   0  0
    7.6644    3.6300    0.0000 O   0  0
    7.1915    1.0753    0.0000 C   0  0
    6.2177   -0.0656    0.0000 C   0  0
    6.9690   -7.0470    0.0000 C   0  0
    5.6687   -7.7950    0.0000 C   0  0
    5.6662   -9.2949    0.0000 C   0  0
    6.9639  -10.0471    0.0000 C   0  0
    6.9614  -11.5471    0.0000 F   0  0
    8.2642   -9.2993    0.0000 C   0  0
    8.2668   -7.7993    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  5  1  0
  8  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
  6 17  1  6
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
  2 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 24  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15521

> <plate>
PLATE 003

> <well>
G7

> <supplier_cmpd_name>
Ezetimibe

> <ctcr_id>
4942

> <supplier_cmpd_id>
T1593

> <smiles>
O[C@@H](CC[C@@H]1[C@H](N(C1=O)c2ccc(F)cc2)c3ccc(O)cc3)c4ccc(F)cc4

> <pd_targets>
{NPSR1,RORC,NPC1L1,ABCB11,SOAT1,ANPEP,LMNA,CYP3A4}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor","Other membrane protein",Transporter,Enzyme,"Other nuclear protein","Family A G protein-coupled receptor","Nuclear receptor","Primary active transporter",Tr
ansferase,Protease,"Cytochrome P450","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","ATP-binding cassette","Metallo protease","Cytochrome P450 family 3","Short peptide recep
tor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","ABCB subfamily","Metallo protease MAE clan","Cytochrome P450 family 3A","Neuropeptide receptor","Nuclear hormone receptor subfamily
 1 group F member 3","Metallo protease M1 family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"G protein-coupled receptors","Nuclear hormone receptors","SLC superfamily of solute carriers","ATP-binding cassette transporter family","Peptidases and proteinases","C
ytochrome P450","Neuropeptide S receptor","1F. Retinoic acid-related orphans","SLC65 NPC-type cholesterol transporters","ABCB subfamily","MA: Metallo (M) Peptidases","CYP3 family","M1: Aminopeptidase 
N"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Digestion and absorption",Metabolism,"Transport of small molecules","Immune System","Cell Cycle","Infectious disease","RNA Polymerase II Transcription","Int
estinal absorption","Metabolism of lipids","Plasma lipoprotein assembly",remodeling,"and clearance","Innate Immune System",Mitotic,"Leishmania infection","Generic Transcription Pathway","Intestinal li
pid absorption","Metabolism of steroids","Plasma lipoprotein clearance","Neutrophil degranulation","M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania parasite growth and
 survival","Transcriptional regulation by RUNX3","Bile acid and bile salt metabolism","LDL clearance","Mitotic Metaphase and Anaphase","Biosynthesis of DHA-derived SPMs","Anti-inflammatory response fa
vouring Leishmania parasite infection","RUNX3 Regulates Immune Response and Cell Migration","Synthesis of bile acids and bile salts","Mitotic Anaphase","Biosynthesis of maresins","ADORA2B mediated ant
i-inflammatory cytokines production","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Initiation of Nuclea
r Envelope (NE) Reformation"}

> <broad_targets>
{ANPEP,NPC1L1,SOAT1}

> <broad_moa>
{"cholesterol inhibitor","Niemann-Pick C1-like 1 protein antagonist"}

> <synonyms>
{Ezetimibe,163222-33-1,163222331,Zetia,Ezetrol,Ezedoc,"Sch 58235",SCH-58235,SCH58235,UNII-EOR26LQQ24,UNIIEOR26LQQ24,"Ezetimibe (Zetia)",EOR26LQQ24,CHEBI:49040,DSSTox_CID_24223,DSSToxCID24223,DSSTox-CI
D-24223,"DSSTox CID 24223",DSSTox_RID_80127,DSSToxRID80127,DSSTox-RID-80127,"DSSTox RID 80127",DSSTox_GSID_44223,DSSToxGSID44223,DSSTox-GSID-44223,"DSSTox GSID 44223",Zient,"(-)-Sch 58235","()Sch 5823
5",SMR000466334,CAS-163222-33-1,CAS163222331,SAM001246623,CPD000466334}

> <pdid>
PD000569

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{150311}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -7.7876   -1.5212    0.0000 C   0  0
   -9.0905   -0.7779    0.0000 O   0  0
   -7.7802   -3.0220    0.0000 N   0  0
   -9.0758   -3.7796    0.0000 C   0  0
   -9.0707   -5.2796    0.0000 C   0  0
  -10.3671   -6.0341    0.0000 C   0  0
  -11.6687   -5.2886    0.0000 C   0  0
  -12.9652   -6.0432    0.0000 C   0  0
  -11.6740   -3.7886    0.0000 C   0  0
  -12.9748   -3.0401    0.0000 N   0  0
  -12.9779   -1.5393    0.0000 C   0  0
  -14.2769   -0.7892    0.0000 N   0  0
  -14.2770    0.7108    0.0000 C   0  0
  -12.9780    1.4608    0.0000 C   0  0
  -11.6789    0.7109    0.0000 C   0  0
  -11.6789   -0.7891    0.0000 N   0  0
  -10.3792    1.4613    0.0000 C   0  0
  -10.3768    2.9613    0.0000 C   0  0
   -9.0766    3.7093    0.0000 C   0  0
   -7.7787    2.9573    0.0000 C   0  0
   -7.7811    1.4573    0.0000 N   0  0
   -9.0813    0.7093    0.0000 C   0  0
  -10.3776   -3.0341    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
 23 37  2  0
 37 18  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15522

> <plate>
PLATE 003

> <well>
G8

> <supplier_cmpd_name>
Imatinib Mesylate

> <ctcr_id>
1820

> <supplier_cmpd_id>
T1621

> <smiles>
CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3

> <pd_targets>
{S,MAPK10,FYN,CLK1,CLK4,MAPK8,PDGFRA,DDR1,BRAF,ABL1,BCR,PDGFRB,FGR,GAK,LCK,MELK,KIT,SYK,CA7,NQO2,CDK19,KARS1,KDR,LMNA,FRK,TYK2,CA12,CA2,PLK2,PLK4,CA13,CA15,IRAK1,EPHA8,CYP3A4,ABL2,MAPK9,SRC,ABCB11,STK
17A,RAF1,DDR2,TNNI3K,MAP3K20,LYN,CSF1R,EGFR,MAPK14,CA9,CA4,CA5B,PIP4K2C,BLK,CA3,CA14,ALB,ABCB1,CA6,CA1,FLT3,CA5A,HIPK4,MAPK11,MAPK12,MAPK13,REP,RORC,TAOK1,RAD52,HRH2,SLC47A2,SLC22A3,ABCG2,SLC6A4,TBXAS
1,SLC47A1,SLC22A2,HTR2A,RET,NTRK1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Transporter,"Secreted protein","Transcription factor","Membrane receptor",Kinase,Protease,Lyase,Oxidoreductase,"Cytochrome P450","Primary active transporter",Transferas
e,"Nuclear receptor","Family A G protein-coupled receptor","Electrochemical transporter","Protein Kinase","Cysteine protease","Cytochrome P450 family 3","ATP-binding cassette","Nuclear hormone recepto
r subfamily 1","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Cytochrome P450 family 5","CMGC protein kinase group","TK protein kinase group","TKL protein kinase group
","Atypical protein kinase group","Cysteine protease CA clan","Other protein kinase group","CAMK protein kinase group","Cytochrome P450 family 3A","ABCB subfamily","Nuclear hormone receptor subfamily 
1 group F","STE protein kinase group","Monoamine receptor","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","ABCG subfamily","SLC06 
neurotransmitter transporter family","Cytochrome P450 family 5A","CMGC protein kinase MAPK family","Tyrosine protein kinase Src family","CMGC protein kinase CLK family","Tyrosine protein kinase PDGFR 
family","Tyrosine protein kinase DDR family","TKL protein kinase RAF family","Atypical protein kinase BCR family","Cysteine protease C1A family","Tyrosine protein kinase Abl family","Other protein kin
ase NAK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Syk family","CMGC protein kinase CDK family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase JakA family","O
ther protein kinase PLK family","TKL protein kinase IRAK family","Tyrosine protein kinase Eph family","Cytochrome P450 3A4","CAMK protein kinase DAPK family","TKL protein kinase MLK family","Tyrosine 
protein kinase EGFR family","CMGC protein kinase DYRK family","Nuclear hormone receptor subfamily 1 group F member 3","STE protein kinase STE20 family","Histamine receptor","Cytochrome P450 5A1","Sero
tonin receptor","Tyrosine protein kinase Trk family","CMGC protein kinase JNK subfamily","Tyrosine protein kinase SrcA","CAMK protein kinase MELK subfamily","CMGC protein kinase CDK8 subfamily","Other
 protein kinase PLK2","TKL protein kinase HH498 subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase TAO subfamily
"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,Transporters,"Anti-infective targets","Kinases (EC 2.7.x.x)","Catalytic receptors","Carbonic anhydrases","Cytochrome P450","ATP-binding cassette transporter 
family","Nuclear hormone receptors","G protein-coupled receptors","SLC superfamily of solute carriers","Viral protein targets","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","CAMK:
 Calcium/calmodulin-dependent protein kinases","CYP3 family","ABCB subfamily","Lipid modifying kinases","1F. Retinoic acid-related orphans","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 
kinases","Histamine receptors","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","ABCG subfamily","SLC6 neurotransmitter transporter 
family",CYP5,"CYP7 and CYP8 families","5-Hydroxytryptamine receptors",Atypical,"Coronavirus (CoV) proteins","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","CLK family","TKL: T
yrosine kinase-like","Other protein kinases","CAMK-like (CAMKL) family","Cyclin-dependent kinase (CDK) family","Death-associated kinase (DAPK) family","Type II PIP kinases (1-phosphatidylinositol-5-ph
osphate 4-kinase family)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","STE20 family","Organic cation transporters (OCT)","Monoamine transporter subfamily","BCR famil
y","JNK subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","RAF family","Numb-associated kinase (NAK) family","MELK subfamily","CDK8 subfamily","Polo-like kinase (PL
K) family","Interleukin-1 receptor-associated kinase (IRAK) family","Mixed Lineage Kinase (MLK) family","p38 subfamily","HIPK subfamily","TAO subfamily","Src family","Type III RTKs: PDGFR",CSFR,Kit,"F
LT3 receptor family","Type XVI RTKs: DDR (collagen receptor) family","Abl family","Syk family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Janus kinase (JakA) family","T
ype XIII RTKs: Ephrin receptor family","HH498 subfamily","MLK subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family"}

> <pathway_reactome>
{Disease,"Immune System","Extracellular matrix organization","Signal Transduction","Vesicle-mediated transport",Metabolism,"Metabolism of proteins","Cell Cycle","Transport of small molecules","Develop
mental Biology","Gene expression (Transcription)","Cellular responses to external stimuli","DNA Repair","Neuronal System","Infectious disease","Innate Immune System","Diseases of signal transduction b
y growth factor receptors and second messengers","Non-integrin membrane-ECM interactions","Signaling by Receptor Tyrosine Kinases","Membrane Trafficking","Intracellular signaling by second messengers"
,"Reversible hydration of carbon dioxide","Biological oxidations","Metabolism of lipids",Translation,Mitotic,"Cytokine Signaling in Immune system","O2/CO2 exchange in erythrocytes","Nervous system dev
elopment","MAPK family signaling cascades","RNA Polymerase II Transcription","Signaling by GPCR","Cellular responses to stress","Abacavir transport and metabolism","DNA Double-Strand Break Repair","SL
C-mediated transmembrane transport","Transmission across Chemical Synapses","SARS-CoV Infections","Toll-like Receptor Cascades","HIV Infection","Signaling by PDGFR in disease","Signaling by NTRKs","Le
ishmania infection","trans-Golgi Network Vesicle Budding","Signaling by KIT in disease","PIP3 activates AKT signaling","Phase I - Functionalization of compounds","Regulation of lipid metabolism by PPA
Ralpha","tRNA Aminoacylation","Signaling by VEGF","M Phase","Interferon Signaling","Erythrocytes take up carbon dioxide and release oxygen","Mitotic G2-G2/M phases","Axon guidance","Biosynthesis of sp
ecialized proresolving mediators (SPMs)","Metabolism of steroids","MAPK1/MAPK3 signaling","Generic Transcription Pathway","GPCR downstream signalling","Cellular response to hypoxia","Abacavir transmem
brane transport","Signaling by Interleukins","Signaling by Insulin receptor","Homology Directed Repair","Transport of bile salts and organic acids","metal ions and amine compounds","Neurotransmitter c
learance","GPCR ligand binding","Signaling by FGFR in disease","SARS-CoV-1 Infection","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","Drug resistance of PDGFR mutants","Signa
ling by NTRK1 (TRKA)","Parasite infection","Leishmania parasite growth and survival","Golgi Associated Vesicle Biogenesis","Drug resistance of KIT mutants","Negative regulation of the PI3K/AKT network
","PPARA activates gene expression","Cytosolic tRNA aminoacylation","VEGFA-VEGFR2 Pathway","Mitotic Metaphase and Anaphase","PTEN Regulation","Interferon alpha/beta signaling","G2/M Transition","EPH-E
phrin signaling","Biosynthesis of DHA-derived SPMs","Signaling by ROBO receptors","Bile acid and bile salt metabolism","RAF/MAP kinase cascade","Transcriptional Regulation by VENTX","G alpha (q) signa
lling events","Regulation of gene expression by Hypoxia-inducible Factor","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX1","Interleukin-12 family signaling","Insulin receptor
 signalling cascade","Transcriptional regulation by RUNX3","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Organic cation/anion/zwitterion transport","Serotonin clearanc
e from the synaptic cleft","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Signaling by FGFR1 in disease","Translation of structural proteins","MyD88 cascade ini
tiated on plasma membrane","The role of Nef in HIV-1 replication and disease pathogenesis","Imatinib-resistant PDGFR mutants","Signalling to ERKs","Leishmania phagocytosis","Anti-inflammatory response
 favouring Leishmania parasite infection","Dasatinib-resistant KIT mutants",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","VEGFR2 mediated cell proliferation","Mitotic Anaphase","Regulation of PTEN
 stability and activity","Regulation of IFNA signaling","Centrosome maturation","EPHA-mediated growth cone collapse","Biosynthesis of maresins","Role of ABL in ROBO-SLIT signaling","Synthesis of bile 
acids and bile salts","Negative regulation of MAPK pathway","Gastrin-CREB signalling pathway via PKC and MAPK","Regulation of TP53 Activity","RUNX1 regulates transcription of genes involved in BCR sig
naling","Recycling of bile acids and salts","Interleukin-12 signaling","IRS-mediated signalling","SARS-CoV-1 Genome Replication and Transcription","RUNX3 Regulates Immune Response and Cell Migration",
"HDR through Single Strand Annealing (SSA)","Organic cation transport",Eicosanoids,"Amine ligand-binding receptors","FGFR1 mutant receptor activation","Maturation of spike protein","MAP kinase activat
ion","Nef and signal transduction","Prolonged ERK activation events","FCGR3A-mediated phagocytosis","FCGR3A-mediated IL10 synthesis","Nef-mediates down modulation of cell surface receptors by recruiti
ng them to clathrin adapters","Nuclear Envelope (NE) Reassembly","CD163 mediating an anti-inflammatory response","Loss of proteins required for interphase microtubule organization from the centrosome"
,"Biosynthesis of maresin-like SPMs","Signalling to RAS","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Negative feedback regulation of MAPK pathway","EGFR Transactivation by 
Gastrin","Regulation of TP53 Activity through Acetylation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","PI3K Cascade","Replication of the SARS-CoV-1 genome","S
eparation of Sister Chromatids","ADORA2B mediated anti-inflammatory cytokines production","Serotonin receptors","Signaling by cytosolic FGFR1 fusion mutants","MAPK targets/ Nuclear events mediated by 
MAP kinases","ARMS-mediated activation","Nef Mediated CD4 Down-regulation","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from mitotic centrosomes","activated TAK1 mediates p38 MAPK ac
tivation","p38MAPK events","PI5P Regulates TP53 Acetylation","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{ABL1,CSF1R,DDR1,KIT,NTRK1,PDGFRA,PDGFRB,RET}

> <broad_moa>
{"Bcr-Abl kinase inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor"}

> <synonyms>
{Imatinib,152459-95-5,152459955,STI571,Glivec,"Imatinib (STI571)",sti-571,sti571,"Imatinib free base","Cgp 57148","STI 571",UNII-BKJ8M8G5HI,UNIIBKJ8M8G5HI,"Imatinib Methansulfonate",CGP-57148,CGP57148
,"152459-95-5 (free base)","152459955 (free base)",BKJ8M8G5HI,CHEMBL941,CHEBI:45783,NSC743414,"Imatinib (INN:BAN",T6230,743414,S2475,Prestw-1290,"NSC 743414",imatinib,Imatinib(STI571),IMATINIB,"Imatin
ib mesylate"}

> <pdid>
PD001319

> <targets>
{c-Kit,KIT,ABL,VEGFR-PDGFR,PDGFR}

> <classes>
{"Tyrosine kinase inhibitor"}

> <pubchem_cids>
{5291}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 34  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -4.0317   -0.7359    0.0000 S   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -6.1032   -2.4253    0.0000 O   0  0
   -6.2524    0.2436    0.0000 N   0  0
   -5.2526    1.3618    0.0000 C   0  0
   -5.5608    2.8298    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    7.7875   -7.5110    0.0000 C   0  0
    7.7876   -6.0110    0.0000 C   0  0
    6.4885   -5.2610    0.0000 N   0  0
   11.5876   -0.8402    0.0000 O   0  0
   11.5876   -2.3402    0.0000 C   0  0
   10.2883   -3.0898    0.0000 O   0  0
   12.8875   -3.0902    0.0000 C   0  0
   14.1875   -2.3402    0.0000 C   0  0
   14.1890   -0.8394    0.0000 C   0  0
   12.8904   -0.0886    0.0000 O   0  0
   15.4882   -0.0898    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
  9 18  1  0
 18 19  2  0
 19  6  1  0
  2 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15523

> <plate>
PLATE 003

> <well>
G9

> <supplier_cmpd_name>
Rosiglitazone maleate

> <ctcr_id>
6132

> <supplier_cmpd_id>
T1622

> <smiles>
CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c3ccccn3.OC(=O)\C=C/C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Rosiglitazone maleate",155141-29-0,155141290,Avandia,"Rosiglitazone (maleate)","BRL 49653C",BRL-49653C,BRL49653C,Avandamet,BRL-49653-C,Nyracta,"Rosiglitazone XR","Rosiglitazone Maleate (USAN)",Venvi
a,CHEBI:8892,"BRL 49653-C",SMR000471612,"Avandia (TN)",SB-20684,SB20684,T1622,SAM001246610,CPD000471612}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5281055,25058199,11328950}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
   -1.3000   -8.2636    0.0000 F   0  0
   -0.0021   -7.5115    0.0000 C   0  0
   -0.0045   -6.0115    0.0000 C   0  0
    1.2934   -5.2595    0.0000 C   0  0
    2.5937   -6.0074    0.0000 C   0  0
    2.5960   -7.5075    0.0000 C   0  0
    1.2981   -8.2595    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 N   0  0
    5.1925   -3.0070    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 19  1  0
 23 24  2  0
 24 16  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15524

> <plate>
PLATE 003

> <well>
G10

> <supplier_cmpd_name>
Paroxetine hydrochloride

> <ctcr_id>
7056

> <supplier_cmpd_id>
T1636

> <smiles>
Fc1ccc(cc1)C2CCNCC2COc3ccc4OCOc4c3

> <pd_targets>
{KMT2A,MEN1,TGR,KCNH2,SLC6A2,HTR1A,HTR2A,HTR3A,SLC6A4,SLC6A3,ADRA1A,CYP3A4,P2RX4,GRK2,MPO,ADRA2A,ADRA2C,CHRM2,CHRM1,CHRM5,ADRA2B,CHRM3,ADRA1B,ADRA1D,NORA,CYP2D6,CHRM4,THPO,CYP1A2,NFKB1,MAPK1,LMNA,TP53
,NET,PMP22,ABCB11,RORC,TACR1,MTOR,SIGMAR1,CACNA1C,CACNA1D,CACNA1F,CACNA1S,ABCB1,ADRB1,ADRB2,ADRB3,DRD2,HRH1,HTR2B,DRD1,DRD5}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Ion channel",Transporter,"Membrane receptor","Unclassified protein","Other cytosolic protein","Other nuclear protein","Transcription factor",Reader,"Voltage-gated ion c
hannel","Electrochemical transporter","Family A G protein-coupled receptor","Ligand-gated ion channel","Cytochrome P450",Kinase,Oxidoreductase,"Primary active transporter","Nuclear receptor",Bromodoma
in,"Potassium channels","SLC superfamily of solute carriers","Small molecule receptor (family A GPCR)","5HT3 receptor","Cytochrome P450 family 3","P2X receptor","Protein Kinase","Cytochrome P450 famil
y 2","Cytochrome P450 family 1","ATP-binding cassette","Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Voltage-gated calcium channel","Voltage-gated potassium channel","SLC0
6 neurotransmitter transporter family","Monoamine receptor","Cytochrome P450 family 3A","AGC protein kinase group","Cytochrome P450 family 2D","Cytochrome P450 family 1A","CMGC protein kinase group","
ABCB subfamily","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Serotonin receptor","Adrenergic receptor","Cytochrome P450 3A4"
,"AGC protein kinase GRK family","Acetylcholine receptor","Cytochrome P450 2D6","Cytochrome P450 1A1","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","Neuroki
nin receptor","Atypical protein kinase PIKK family","Dopamine receptor","Histamine receptor","AGC protein kinase BARK subfamily","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{"Ion channels",Receptors,Transporters,Enzymes,"Other protein targets","Voltage-gated ion channels","G protein-coupled receptors","Ligand-gated ion channels","SLC superfamily of solute carriers","Cyto
chrome P450","Kinases (EC 2.7.x.x)","1.-.-.- Oxidoreductases","ATP-binding cassette transporter family","Nuclear hormone receptors","Sigma receptors","Potassium channels","5-Hydroxytryptamine receptor
s","5-HT<sub>3</sub> receptors","SLC6 neurotransmitter transporter family",Adrenoceptors,"CYP3 family","P2X receptors","AGC: Containing PKA",PKG,"PKC families","Acetylcholine receptors (muscarinic)","
CYP2 family: drug metabolising subset","CYP1 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","ABCB subfamily","1F. Retinoic acid-related orphans","Tachykinin receptors",Atypical,"Dopamine rece
ptors","Histamine receptors","Voltage-gated potassium channels","Monoamine transporter subfamily","G protein-coupled receptor kinases (GRKs)","Mitogen-activated protein kinases (MAP kinases)","Phospha
tidyl inositol 3' kinase-related kinases (PIKK) family","Beta-adrenergic receptor kinases (&beta;ARKs)","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{"Muscle contraction","Signal Transduction","Neuronal System",Disease,Metabolism,"Immune System",Hemostasis,"Cell Cycle","Developmental Biology","Gene expression (Transcription)","Cardiac conduction",
"Signaling by GPCR","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Metabolism of lipids","Infectious disease","Intracellular signaling by second messengers","Innate
 Immune System","Biological oxidations","Platelet activation","signaling and aggregation","Cytokine Signaling in Immune system",Mitotic,"Cell Cycle Checkpoints","Nervous system development","RNA Polym
erase II Transcription","Abacavir transport and metabolism","Phase 3 - rapid repolarisation","GPCR ligand binding","Neurotransmitter receptors and postsynaptic signal transmission","Neurotransmitter c
learance","SLC transporter disorders","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","DAG and IP3 signaling","ROS and RNS production in phagocytes","Phase I - Funct
ionalization of compounds","Platelet Aggregation (Plug Formation)","Signaling by Interleukins","Toll-like Receptor Cascades","M Phase","G1/S DNA Damage Checkpoints","EGR2 and SOX10-mediated initiation
 of Schwann cell myelination","Metabolism of steroids","Generic Transcription Pathway","SARS-CoV Infections","Abacavir transmembrane transport","Class A/1 (Rhodopsin-like receptors)","Serotonin cleara
nce from the synaptic cleft","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Biosynthesis of DHA-derived SPMs","Cell recruitment (pro-inflammatory response)","CaM pathway","Events a
ssociated with phagocytolytic activity of PMN cells","Defective SLC6A2 causes orthostatic intolerance (OI)","Cytochrome P450 - arranged by substrate type","Interleukin-1 family signaling","Toll Like R
eceptor 5 (TLR5) Cascade","Mitotic Metaphase and Anaphase","p53-Dependent G1/S DNA damage checkpoint","Bile acid and bile salt metabolism","Transcriptional regulation by RUNX3","Transcriptional Regula
tion by TP53","Potential therapeutics for SARS","Amine ligand-binding receptors","Biosynthesis of maresins","Purinergic signaling in leishmaniasis infection","Calmodulin induced events",Xenobiotics,"I
nterleukin-1 signaling","MyD88 cascade initiated on plasma membrane","Mitotic Anaphase","p53-Dependent G1 DNA Damage Response","Synthesis of bile acids and bile salts","RUNX3 Regulates Immune Response
 and Cell Migration","Peptide ligand-binding receptors","Regulation of TP53 Activity","Serotonin receptors",Adrenoceptors,"Biosynthesis of maresin-like SPMs","Muscarinic acetylcholine receptors","CYP2
E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP3K8 (TPL2)-dependent MAPK1/3 activation","MAP kinase activation","Nuclear Envelope (NE) Reassembly","Stabilization 
of p53","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Tachykinin receptors bind tachykinins","Regulation of TP53 Expression and Degradation","Dopamine receptors","Histamine r
eceptors","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","E
RK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,HTR2A,SLC6A2,SLC6A4}

> <broad_moa>
{"selective serotonin reuptake inhibitor (SSRI)"}

> <synonyms>
{"3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)piperidine","3(1,3benzodioxol5yloxymethyl)4(4fluorophenyl)piperidine","3-((1,3-Benzodioxol-5-yloxy)methyl)-4-(4-fluorophenyl)piperidine","3((1,3Be
nzodioxol5yloxy)methyl)4(4fluorophenyl)piperidine",Frosinor,Motivan,Paxetil,PaxPar,NCGC00182968-01,NCGC0018296801,paroxetinehydrochloride,"Seroxat (Salt/Mix)",3-((2H-1,3((2H1,3-benzo,3benzo,T1636,SAM0
02548935,"Paroxetine hydrochloride",CPD001453706}

> <pdid>
PD002925

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4691}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 35  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 C   0  0
   -3.9099   -8.2497    0.0000 C   0  0
   -3.9099   -9.7497    0.0000 C   0  0
   -2.6109  -10.4997    0.0000 C   0  0
   -1.3119   -9.7497    0.0000 C   0  0
   -1.3118   -8.2497    0.0000 C   0  0
   -2.6110  -12.0005    0.0000 S   0  0
   -1.3117  -12.7501    0.0000 O   0  0
   -2.6103  -13.5005    0.0000 O   0  0
   -3.9102  -12.7517    0.0000 N   0  0
   -3.9103  -14.2526    0.0000 C   0  0
   -2.6110  -15.0022    0.0000 O   0  0
   -5.2096  -15.0038    0.0000 N   0  0
   -5.2096  -16.5046    0.0000 C   0  0
   -6.5071  -17.2573    0.0000 C   0  0
   -6.5041  -18.7573    0.0000 C   0  0
   -5.2035  -19.5047    0.0000 C   0  0
   -3.9060  -18.7521    0.0000 C   0  0
   -3.9090  -17.2521    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9  3  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  2  0
 21 23  2  0
 21 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15525

> <plate>
PLATE 003

> <well>
G11

> <supplier_cmpd_name>
Glyburide

> <ctcr_id>
6831

> <supplier_cmpd_id>
T1634

> <smiles>
COc1ccc(Cl)cc1C(=O)NCCc2ccc(cc2)[S](=O)(=O)NC(=O)NC3CCCCC3

> <pd_targets>
{CYP2C19,BLM,RORC,CYP2C9,ABCB11,CISD1,KCNH2,LMNA,TSHR,HIF1A,PMP22,NS1,ALD,CYP3A4,PPARG,KCNK2,MAPT,KCNJ11,ABCC9,ALDH1A1,CYP2D6,NLRP3,CHRM1,CFTR,CYP1A2,SLC22A7,SLCO1B1,SLC22A6,ABCC3,ABCC8,SLC15A1,SLC15A
2,ABCC4,SLCO2B1,KCNJ8,ABCA1,CPT1A,TRPM4}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Transporter,"Unclassified protein","Ion channel","Other nuclear protein","Membrane receptor","Other cytosolic protein","Cytochrome P450","Nuclear receptor","Primary acti
ve transporter","Voltage-gated ion channel","Family A G protein-coupled receptor",Oxidoreductase,"Other ion channel","Electrochemical transporter",Transferase,"Cytochrome P450 family 2","Nuclear hormo
ne receptor subfamily 1","ATP-binding cassette","Potassium channels","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Chloride channel","Cytochr
ome P450 family 1","SLC superfamily of solute carriers","Transient receptor potential channel","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group F","ABCB subfamily","Voltage-gate
d potassium channel","Glycohormone receptor","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group C","Two-pore domain potassium channel","Inwardly rectifying potassium channel","Cyt
ochrome P450 family 2D","Monoamine receptor","Cystic fibrosis transmembrane conductance regulator","Cytochrome P450 family 1A","SLC22 family of organic cation and anion transporters","SLC21/SLCO famil
y of organic anion transporting polypeptides","ABCC subfamily","SLC15 family of peptide transporters","ABCA subfamily","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group F member 3","C
ytochrome P450 2C9","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group C member 3","Cytochrome P450 2D6","Acetylcholine receptor","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Cytochrome P450","Nuclear hormone receptors","ATP-binding cassette transporter family","Voltage-gated ion channels","G protein-coupled receptors","Catal
ytic receptors","Other ion channels","SLC superfamily of solute carriers","CYP2 family: drug metabolising subset","1F. Retinoic acid-related orphans","ABCB subfamily","Potassium channels","Glycoprotei
n hormone receptors","CYP3 family","1C. Peroxisome proliferator-activated receptors","Pattern recognition receptors","Acetylcholine receptors (muscarinic)","Chloride channels","CYP1 family","SLC22 fam
ily of organic cation and anion transporters","SLCO family of organic anion transporting polypeptides","ABCC subfamily","SLC15 family of peptide transporters","ABCA subfamily","Transient Receptor Pote
ntial channels","Voltage-gated potassium channels","Two P domain potassium channels","Inwardly rectifying potassium channels","NOD-like receptor family",CFTR,"Organic anion transporters (OATs)"}

> <pathway_reactome>
{Metabolism,"DNA Repair","Gene expression (Transcription)","Muscle contraction","Cell Cycle",Disease,"Cellular responses to external stimuli","Developmental Biology","Neuronal System","Signal Transduc
tion",Autophagy,"Transport of small molecules",Hemostasis,"Biological oxidations","DNA Double-Strand Break Repair","RNA Polymerase II Transcription","Metabolism of lipids","Cardiac conduction",Mitotic
,"Infectious disease","Cellular responses to stress","Nervous system development","Potassium Channels","Transmission across Chemical Synapses","Disorders of transmembrane transporters","Signaling by G
PCR",Macroautophagy,"SLC-mediated transmembrane transport","Platelet activation","signaling and aggregation","Ion channel transport","Phase I - Functionalization of compounds","Homology Directed Repai
r","Generic Transcription Pathway","Metabolism of steroids","Phase 3 - rapid repolarisation","M Phase","Leishmania infection","Cellular response to hypoxia","EGR2 and SOX10-mediated initiation of Schw
ann cell myelination","Biosynthesis of specialized proresolving mediators (SPMs)","Tandem pore domain potassium channels","Neurotransmitter receptors and postsynaptic signal transmission","ABC transpo
rter disorders","GPCR ligand binding","Selective autophagy","Transport of bile salts and organic acids","metal ions and amine compounds","Transport of inorganic cations/anions and amino acids/oligopep
tides","Response to elevated platelet cytosolic Ca2+","Transport of vitamins",nucleosides,"and related molecules","Inwardly rectifying K+ channels","Fatty acid metabolism","Stimuli-sensing channels","
Cytochrome P450 - arranged by substrate type","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX3","Bile acid and bile salt metabolism","
Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Transcriptional
 Regulation by MECP2","TWIK related potassium channel (TREK)","Activation of NMDA receptors and postsynaptic events","Defective ABCC8 can cause hypo- and hyper-glycemias","Ethanol oxidation","Cell rec
ruitment (pro-inflammatory response)","Class A/1 (Rhodopsin-like receptors)",Aggrephagy,"Organic cation/anion/zwitterion transport","Proton/oligopeptide cotransporters","Platelet degranulation","Trans
port of organic anions","ATP sensitive Potassium channels","Defective ABCC9 causes CMD10","ATFB12 and Cantu syndrome","Defective ABCA1 causes TGD","Carnitine metabolism","TRP channels",Xenobiotics,"HD
R through Homologous Recombination (HRR)","RUNX3 Regulates Immune Response and Cell Migration","Synthesis of bile acids and bile salts","Mitotic Anaphase","Anti-inflammatory response favouring Leishma
nia parasite infection","Biosynthesis of maresins","MECP2 regulates transcription factors","Post NMDA receptor activation events","Purinergic signaling in leishmaniasis infection","Amine ligand-bindin
g receptors","Organic anion transport","Recycling of bile acids and salts","CYP2E1 reactions","Homologous DNA Pairing and Strand Exchange","Synthesis of bile acids and bile salts via 7alpha-hydroxycho
lesterol","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","Muscarinic acetylc
holine receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"
}

> <broad_targets>
{ABCA1,ABCB11,ABCC8,ABCC9,CFTR,CPT1A,KCNJ1,KCNJ11,KCNJ5,KCNJ8,SLCO2B1}

> <broad_moa>
{"ATP channel blocker","insulin secretagogue",sulfonylurea}

> <synonyms>
{glyburide,Glibenclamide,10238-21-8,10238218,Glybenclamide,Glynase,Micronase,Diabeta,Daonil,Euglucon,Maninil,Semi-daonil,Semidaonil,Apo-Glibenclamide,ApoGlibenclamide,"Euglucon 5",Azuglucon,Bastiverit
,Benclamin,Betanase,Duraglucon,Euglucan,Euglykon,Glibenil,Glucolon,Orabetic,Prodiab,T1634,SAM002564212,2300229,Prestw-316,Glyburide,CPD000058229,GLYBURIDE}

> <pdid>
PD000061

> <targets>
{Autophagy,CFTR,P-glycoprotein,Potassium Channel}

> <classes>
{antihyperglycemic,Autophagy,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{3488}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -3.8805   -1.4410    0.0000 O   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5536   -4.4230    0.0000 C   0  0
   -1.7031   -5.6606    0.0000 C   0  0
   -2.3532   -7.0124    0.0000 C   0  0
   -3.8489   -7.1253    0.0000 C   0  0
   -4.4991   -8.4771    0.0000 O   0  0
   -4.6946   -5.8864    0.0000 N   0  0
   -4.0444   -4.5346    0.0000 C   0  0
   -4.8897   -3.2954    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11  2  1  0
 11  6  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 12  1  0
 18 19  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15526

> <plate>
PLATE 003

> <well>
H2

> <supplier_cmpd_name>
Lenalidomide

> <ctcr_id>
572

> <supplier_cmpd_id>
T1642

> <smiles>
Nc1cccc2C(=O)N(Cc12)C3CCC(=O)NC3=O

> <pd_targets>
{IL6,TNF,CRBN,MDC1,IL1B,IKZF3,IKZF1,CUL4A,DDB1,RBX1,TNFSF11,CDH5,PTGS2}

> <pathway_gtopdb>
{"Secreted protein","Unclassified protein",Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"E3 ubiquitin ligase components","Eicosanoid turnover",Cyclooxygenase}

> <pathway_reactome>
{Disease,"Immune System","DNA Repair","Signal Transduction",Metabolism,"Infectious disease","Cytokine Signaling in Immune system","DNA Double-Strand Break Repair","Signaling by Receptor Tyrosine Kinas
es","Metabolism of lipids","Leishmania infection","Signaling by Interleukins","SARS-CoV Infections","Homology Directed Repair","TNFR2 non-canonical NF-kB pathway","Signaling by VEGF","Biosynthesis of 
specialized proresolving mediators (SPMs)","Leishmania parasite growth and survival","Interleukin-10 signaling","Potential therapeutics for SARS","HDR through Homologous Recombination (HRR) or Single 
Strand Annealing (SSA)","Cell recruitment (pro-inflammatory response)","TNF receptor superfamily (TNFSF) members mediating non-canonical NF-kB pathway","VEGFA-VEGFR2 Pathway","Biosynthesis of DPA-deri
ved SPMs","Anti-inflammatory response favouring Leishmania parasite infection","Processing of DNA double-strand break ends","Purinergic signaling in leishmaniasis infection","VEGFR2 mediated vascular 
permeability","Biosynthesis of DPAn-3 SPMs","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{TNF}

> <broad_moa>
{"anticancer agent"}

> <synonyms>
{Lenalidomide,191732-72-6,191732726,Revlimid,Revimid,"3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione","3(4Amino1oxoisoindolin2yl)piperidine2,6dione",CC-5013,CC5013,"Lenalidomide (CC-5013)","Lena
lidomide (CC5013)","CDC 501",IMiD3,"CC 5013",CDC-501,CDC501,"3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione","3(4Amino1oxo1,3dihydro2Hisoindol2yl)piperidine2,6dione",2,6-Pipe,6Pipe
,T1642,747972,"NSC 747972",LENALIDOMIDE}

> <pdid>
PD004118

> <targets>
{"TNF-alpha Inhibitors"}

> <classes>
{"immunomodulatory agent"}

> <pubchem_cids>
{216326}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 17 18  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.1253   -4.3743    0.0000 N   0  0
   -6.5937   -4.6845    0.0000 C   0  0
   -7.5957   -3.5683    0.0000 C   0  0
   -7.0599   -6.1103    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
  9 16  1  0
 16  6  1  0
 16 17  2  0
 17  3  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15527

> <plate>
PLATE 003

> <well>
H3

> <supplier_cmpd_name>
Melatonine

> <ctcr_id>
1534

> <supplier_cmpd_id>
T1659

> <smiles>
COc1ccc2[nH]cc(CCNC(C)=O)c2c1

> <pd_targets>
{MTNR1A,MTNR1B,NQO2,HSD17B10,ALDH1A1,CYP1B1,HTR5B,HTR2B,MPO,BLM,HPGD,CYP2D6,CYP1A2,CYP3A4,CHRM1,KMT2A,MEN1,CYP1A1,KDM4E,HTR5A,HTR7,RAB9A,PMP22,HRH3,ESR1,RORB,EPX}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Epigenetic regulator","Unclassified protein","Transcription factor","Family A G protein-coupled receptor",Oxidoreductase,"Cytochrome P450",Reader,Eraser,Hydrolase,"Nuclear
 receptor","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","Cytochrome P450 family 2","Cytochrome P450 family 3",Bromodomain,"Lysine demethylase","Nuclear hormone receptor subfami
ly 3","Nuclear hormone receptor subfamily 1","Monoamine-derivative receptor (family A GPCR)","Cytochrome P450 family 1B","Monoamine receptor","Cytochrome P450 family 2D","Cytochrome P450 family 1A","C
ytochrome P450 family 3A","Jumonji domain-containing","Nuclear hormone receptor subfamily 3 group A","Nuclear hormone receptor subfamily 1 group F","Melatonin receptor","Cytochrome P450 1B1","Serotoni
n receptor","Cytochrome P450 2D6","Cytochrome P450 1A1","Cytochrome P450 3A4","Acetylcholine receptor","Histamine receptor","Nuclear hormone receptor subfamily 3 group A member 1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Catalytic receptors","Cytochrome P450","1.-.-.- Oxidoreductases","Eicosanoid turnover","Chromatin modifying enzymes","Nuclear hormone receptors","Mela
tonin receptors","Receptor guanylyl cyclase (RGC) family","CYP1 family","5-Hydroxytryptamine receptors","Prostaglandin synthases","CYP2 family: drug metabolising subset","CYP3 family","Acetylcholine r
eceptors (muscarinic)","1.14.11.- Histone demethylases","Histamine receptors","Steroid hormone receptors","1F. Retinoic acid-related orphans","Nitric oxide (NO)-sensitive (soluble) guanylyl cyclase","
3A. Estrogen receptors"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Immune System","DNA Repair",Disease,"Developmental Biology","Gene expression (Transcription)","Signaling by GPCR","Biological oxidations","Metabolism of amino acids 
and derivatives","Innate Immune System","DNA Double-Strand Break Repair","Metabolism of lipids","Infectious disease","Signaling by Rho GTPases","Nervous system development","RNA Polymerase II Transcri
ption","GPCR downstream signalling","Phase I - Functionalization of compounds","Branched-chain amino acid catabolism","GPCR ligand binding","ROS and RNS production in phagocytes","Homology Directed Re
pair","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","Rho GTPase cycle","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Generic Transcription Path
way","Neutrophil degranulation","G alpha (i) signalling events","Ethanol oxidation","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Events associated with phagoc
ytolytic activity of PMN cells","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","RHOBTB GTPas
e Cycle","Transcriptional regulation by RUNX1","Nuclear Receptor transcription pathway","Endogenous sterols","Amine ligand-binding receptors","HDR through Homologous Recombination (HRR)","Biosynthesis
 of D-series resolvins",Xenobiotics,"Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","RHOBTB3 ATPase cycle","RUNX1 regulates estrogen receptor mediated t
ranscription","Serotonin receptors","Homologous DNA Pairing and Strand Exchange","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPM
s","Muscarinic acetylcholine receptors","ADORA2B mediated anti-inflammatory cytokines production","Histamine receptors","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{ASMT,CALM1,CALR,EPX,ESR1,HTR2B,MPO,MTNR1A,MTNR1B,NQO2,RORB}

> <broad_moa>
{"melatonin receptor agonist","nitric oxide synthase inhibitor"}

> <synonyms>
{Melatonin,73-31-4,73314,Melatonine,N-Acetyl-5-methoxytryptamine,NAcetyl5methoxytryptamine,Circadin,5-Methoxy-N-acetyltryptamine,5MethoxyNacetyltryptamine,N-(2-(5-Methoxy-1H-indol-3-yl)ethyl)acetamide
,N(2(5Methoxy1Hindol3yl)ethyl)acetamide,Melatol,Melovine,"Acetamide, N-(2-(5-methoxy-1H-indol-3-yl)ethyl)-","Acetamide, N(2(5methoxy1Hindol3yl)ethyl)",N-(2-(5-methoxyindol-3-yl)ethyl)ace,N(2(5methoxyi
ndol3yl)ethyl)ace,T1659,1500690,Prestw-458,MELATONIN}

> <pdid>
PD001629

> <targets>
{Apoptosis,Autophagy,Endogenous Metabolite,Melatonin Receptor,Mitophagy}

> <classes>
{sleep induction,modifies circadian rhythm,Apoptosis,Autophagy,GPCR/G Protein,Metabolic Enzyme/Protease,Neuronal Signaling}

> <pubchem_cids>
{896}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 35 39  0  0  1  0            999 V2000
    2.6018   -5.9994    0.0000 C   0  0
    3.9008   -5.2492    0.0000 O   0  0
    3.9014   -3.7484    0.0000 C   0  0
    2.6012   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8967   -0.7484    0.0000 C   0  0
    5.1969   -1.4963    0.0000 C   0  0
    5.1993   -2.9963    0.0000 C   0  0
    6.4995   -3.7442    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3032   -3.7490    0.0000 O   0  0
   -1.2991    5.2507    0.0000 C   0  0  1  0  0  0
   -2.5993    5.9988    0.0000 O   0  0
   -2.6017    7.4988    0.0000 C   0  0
   -3.9019    8.2467    0.0000 C   0  0
   -3.9043    9.7467    0.0000 C   0  0
   -5.2045   10.4947    0.0000 O   0  0
   -2.6065   10.4988    0.0000 C   0  0
   -1.3062    9.7509    0.0000 C   0  0
   -0.0084   10.5029    0.0000 O   0  0
   -1.3039    8.2509    0.0000 C   0  0
   -0.0036    7.5029    0.0000 C   0  0
    1.2942    8.2550    0.0000 O   0  0
   -0.0012    6.0029    0.0000 C   0  0  2  0  0  0
    1.2990    5.2550    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
 10  5  1  6
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 19 10  1  0
 19 20  1  1
 20 21  1  0
 22 14  1  1
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 31 24  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 22  1  0
 34 35  1  6
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15528

> <plate>
PLATE 003

> <well>
H4

> <supplier_cmpd_name>
Silibinin

> <ctcr_id>
2360

> <supplier_cmpd_id>
T1660

> <smiles>
COc1cc(ccc1O)[C@H]2Oc3cc(ccc3O[C@@H]2CO)[C@H]4Oc5cc(O)cc(O)c5C(=O)[C@@H]4O

> <pd_targets>
{CYP2C9,SLC2A4,HIF1A,F2,CA4,LMNA,CA2,CA9,CA12,HSD17B10,MAPT,ALDH1A1,ALOX15,CYP3A4,ABCB1A,CA15,CA3,TSHR,HPGD,GAA,CA6,CA7,LEF,XDH,CA5A,CA5B,PLAU,PRSS1,PRSS2,PRSS3,CA1,CA13,CA14,SLCO1B3,SLCO1B1,SLCO2B1,P
PO2}

> <pathway_gtopdb>
{Enzyme,Transporter,"Transcription factor","Other nuclear protein","Other cytosolic protein","Membrane receptor","Cytochrome P450","Electrochemical transporter",Protease,Lyase,Oxidoreductase,"Primary 
active transporter","Family A G protein-coupled receptor",Hydrolase,"Cytochrome P450 family 2","SLC superfamily of solute carriers","Serine protease","Cysteine protease","Cytochrome P450 family 3","AT
P-binding cassette","Peptide receptor (family A GPCR)","Metallo protease","Cytochrome P450 family 2C","SLC02 family of hexose and sugar alcohol transporters","Serine protease PA clan","Cysteine protea
se CA clan","Cytochrome P450 family 3A","ABCB subfamily","Glycohormone receptor","Metallo protease MAE clan","SLC21/SLCO family of organic anion transporting polypeptides","Cytochrome P450 2C9","Serin
e protease S1A subfamily","Cysteine protease C1A family","Cytochrome P450 3A4","Metallo protease M34 family"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Cytochrome P450","SLC superfamily of solute carriers","Peptidases and proteinases","Carbonic anhydrases","Eicosanoid turnover","ATP-binding cassette transporter family
","G protein-coupled receptors","3.2.1.- Glycosidases","1.-.-.- Oxidoreductases","CYP2 family: drug metabolising subset","SLC2 family of hexose and sugar alcohol transporters","PA: Serine (S) Peptidas
es",Lipoxygenases,"CYP3 family","ABCB subfamily","Glycoprotein hormone receptors","Prostaglandin synthases","SLCO family of organic anion transporting polypeptides","Class I transporters","S1: Chymotr
ypsin"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Cellular responses to external stimuli",Disease,"Cell Cycle","Neuronal System","Immune System","Biological oxidations","SLC-mediated transmembrane transport
","Cellular responses to stress","Diseases of hemostasis","O2/CO2 exchange in erythrocytes",Mitotic,"Reversible hydration of carbon dioxide","Metabolism of amino acids and derivatives","Transmission a
cross Chemical Synapses","Metabolism of lipids","Infectious disease","Diseases of metabolism","Metabolism of nucleotides","Innate Immune System","Cytokine Signaling in Immune system","Phase I - Functi
onalization of compounds","Cellular hexose transport","Cellular response to hypoxia","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Erythrocytes take up carbon dioxide
 and release oxygen","M Phase","Branched-chain amino acid catabolism","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Lei
shmania infection","Diseases of carbohydrate metabolism","Uptake and actions of bacterial toxins","Nucleobase catabolism","Neutrophil degranulation","Signaling by Interleukins","Metabolism of steroids
","Transport of vitamins",nucleosides,"and related molecules","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Defective facto
r VIII causes hemophilia A","Mitotic Metaphase and Anaphase","Regulation of gene expression by Hypoxia-inducible Factor","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Bio
synthesis of DPA-derived SPMs","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","Glycogen storage diseases","Uptake and function of anthrax toxins","Purine catabolism","Int
erleukin-12 family signaling","Bile acid and bile salt metabolism","Transport of organic anions",Xenobiotics,"Defective F8 cleavage by thrombin","Mitotic Anaphase","Post NMDA receptor activation event
s","Biosynthesis of DPAn-3 SPMs","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of D-series resolvins","Glycogen storage disease type II 
(GAA)","Interleukin-12 signaling","Recycling of bile acids and salts","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived pr
otectins and resolvins","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulatio
n","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{silibinin,Silybin,22888-70-6,22888706,"Silybin A","Silibinin A",SILYMARIN,"Silymarin I",Flavobin,Silibinine,Silliver,Silybine,Silibininum,Silibinina,"Silibinin (INN)",Silymarine,UNII-33X338MNE4,UNII3
3X338MNE4,"Flavobin Spofa","Silymarine I",CHEBI:9144,33X338MNE4,NSC651,T1660,1505256,Silibinin,SILIBININ}

> <pdid>
PD000541

> <targets>
{Autophagy,Reactive Oxygen Species}

> <classes>
{hepatoprotective agent,antioxidant,Autophagy,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{31553}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
   -2.1965   -7.7844    0.0000 C   0  0
   -0.7235   -8.0679    0.0000 C   0  0
   -0.2330   -9.4854    0.0000 O   0  0
    0.2586   -6.9331    0.0000 O   0  0
   -0.2322   -5.5148    0.0000 C   0  0
    0.7500   -4.3800    0.0000 C   0  0
    2.2230   -4.6635    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
   -0.6870   -2.7320    0.0000 O   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    0.5000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  0
 12 11  1  6
 12 13  1  0
 13 14  1  1
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 16  1  0
 22 23  1  6
 22 24  1  0
 24 13  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  6
 26 28  1  0
 28 29  1  0
 29  8  1  0
 29 12  1  0
 29 30  1  6
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15529

> <plate>
PLATE 003

> <well>
H5

> <supplier_cmpd_name>
Fludrocortisone acetate

> <ctcr_id>
594

> <supplier_cmpd_id>
T1666

> <smiles>
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3(F)[C@@H](O)C[C@]12C

> <pd_targets>
{NR3C1,NR3C2}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 1","Nuclear hormon
e receptor subfamily 3 group C member 2"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins","RNA Polymerase II Transcription","Post-translational protein modification","Generic Transcription Pathway",SUMOylation,"FOXO-mediated trans
cription","SUMO E3 ligases SUMOylate target proteins","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","SUMOylation of intracellular receptors"}

> <broad_targets>
{NR3C2}

> <broad_moa>
{}

> <synonyms>
{CHEMBL4303446,HMS3712J04,CCG-220281,CCG220281,"Fluorocortisone acetate|||9-Fluorohydrocortisone acetate","Fluorocortisone acetate|||9Fluorohydrocortisone acetate",T1666,Prestw-281,"Fludrocortisone ac
etate"}

> <pdid>
PD002331

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{73440814}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 64 71  0  0  1  0            999 V2000
    2.3980    5.1974    0.0000 C   0  0
    1.0617    4.5159    0.0000 C   0  0
   -0.2000    5.2900    0.0000 C   0  0  2  0  0  0
   -0.2341    6.7896    0.0000 O   0  0
   -0.2000    4.0900    0.0000 C   0  0
   -1.2300    3.5100    0.0000 C   0  0
   -2.2500    4.0900    0.0000 C   0  0
   -2.2500    5.2900    0.0000 N   0  0
   -3.9200    5.5000    0.0000 C   0  0
   -5.4100    4.7800    0.0000 C   0  0
   -5.7000    3.1300    0.0000 C   0  0
   -4.9700    1.7900    0.0000 C   0  0
   -6.0100    0.6800    0.0000 N   0  0
   -7.4000    1.3200    0.0000 C   0  0
   -8.8100    0.7400    0.0000 C   0  0
  -10.0200    1.6700    0.0000 C   0  0
   -9.8300    3.1800    0.0000 C   0  0
   -8.4200    3.7700    0.0000 C   0  0
   -7.2000    2.8400    0.0000 C   0  0
   -3.3800    1.2800    0.0000 C   0  0  1  0  0  0
   -1.8700    1.9700    0.0000 C   0  0
   -4.3011    0.1350    0.0000 C   0  0
   -5.7734    0.4218    0.0000 O   0  0
   -3.8135   -1.2844    0.0000 O   0  0
   -4.7977   -2.4164    0.0000 C   0  0
   -2.3301    0.2513    0.0000 C   0  0
   -2.7110   -1.1720    0.0000 C   0  0
   -1.6165   -2.2180    0.0000 C   0  0
   -0.2693   -1.8150    0.0000 C   0  0
    0.1414   -0.3694    0.0000 C   0  0
   -0.9061    0.6597    0.0000 C   0  0
   -0.5303    2.1129    0.0000 O   0  0
    0.4332    2.3808    0.0000 C   0  0
    0.6269   -3.0200    0.0000 N   0  0
    2.1267   -3.0420    0.0000 C   0  0
   -0.2779   -4.1651    0.0000 C   0  0  1  0  0  0
   -0.0140   -5.6041    0.0000 C   0  0  2  0  0  0
    1.0936   -4.5926    0.0000 O   0  0
   -1.1529   -6.6124    0.0000 C   0  0  2  0  0  0
   -0.8799   -8.0880    0.0000 O   0  0
    0.5342   -8.5906    0.0000 C   0  0
    1.2952   -7.9418    0.0000 C   0  0
    0.8068  -10.0656    0.0000 O   0  0
   -2.5335   -6.1188    0.0000 C   0  0  2  0  0  0
   -2.2630   -7.5946    0.0000 C   0  0
   -3.0242   -8.2431    0.0000 C   0  0
   -3.6287   -7.0542    0.0000 C   0  0
   -5.0406   -6.5494    0.0000 C   0  0
   -5.3459   -4.5824    0.0000 C   0  0
   -4.0445   -3.8623    0.0000 N   0  0
   -3.7291   -2.4358    0.0000 C   0  0
   -2.2452   -2.2939    0.0000 C   0  0
   -1.6741   -3.6659    0.0000 C   0  0  2  0  0  0
   -2.8019   -4.6427    0.0000 C   0  0  2  0  0  0
    0.2302   -7.0636    0.0000 C   0  0
    1.1755   -7.3898    0.0000 O   0  0
   -0.9029   -8.0479    0.0000 O   0  0
   -0.6181   -9.5206    0.0000 C   0  0
   -1.2300    5.8900    0.0000 C   0  0
    8.2352    0.9101    0.0000 O   0  0
    8.2352   -0.5899    0.0000 S   0  0
    8.2352   -2.0899    0.0000 O   0  0
    6.9359   -1.3395    0.0000 O   0  0
    9.5344   -1.3395    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 14  1  0
 12 20  1  0
 20 21  1  0
 21  6  1  0
 20 22  1  1
 22 23  2  0
 22 24  1  0
 24 25  1  0
 20 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 31 32  1  0
 32 33  1  0
 29 34  1  0
 34 35  1  0
 36 34  1  1
 36 37  1  0
 37 38  1  6
 37 39  1  0
 39 40  1  6
 40 41  1  0
 41 42  1  0
 41 43  2  0
 39 44  1  0
 44 45  1  1
 45 46  1  0
 44 47  1  0
 47 48  2  3
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 53 52  1  6
 53 28  1  0
 53 36  1  0
 53 54  1  0
 54 44  1  0
 54 50  1  6
 37 55  1  0
 55 56  2  0
 55 57  1  0
 57 58  1  0
  8 59  1  0
 59  3  1  0
 60 61  1  0
 61 62  1  0
 61 63  2  0
 61 64  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15530

> <plate>
PLATE 003

> <well>
H6

> <supplier_cmpd_name>
Vinblastine sulfate

> <ctcr_id>
5325

> <supplier_cmpd_id>
T1668

> <smiles>
CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(C)=O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.O[S](O)(=O)=O

> <pd_targets>
{LMNA,KMT2A,MEN1,GMNN,RECQL,BLM,MAPT,NPSR1,PMP22,MTOR,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,PSMB1,PSMB2,ABCB1A,PSMB5,ABCC4,BETA-TUBULIN,SLC
O1B1,MAOB,CYP3A4,ABCB1,SLCO1B3,RORC,ALOX15,KDM4E,HIF1A,HTT,ABCB1B,ABCC2,TBXAS1,ABCB11,ABCC1,TUBB5,JUN,NR5A1}

> <pathway_gtopdb>
{"Other nuclear protein","Epigenetic regulator","Unclassified protein",Enzyme,"Other cytosolic protein","Membrane receptor",Reader,"Family A G protein-coupled receptor",Kinase,Bromodomain,"Peptide rec
eptor (family A GPCR)","Protein Kinase","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Neuropeptide receptor","Atypical protein kinase PIKK family","Atypical protein kinase 
FRAP subfamily","Structural protein",Transporter,"Transcription factor",Protease,"Primary active transporter","Electrochemical transporter",Oxidoreductase,"Cytochrome P450","Nuclear receptor",Eraser,"
Threonine protease","ATP-binding cassette","SLC superfamily of solute carriers","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Lysine demethylase","Cytochrome P450 family 5","Nucle
ar hormone receptor subfamily 5","Threonine protease PBT clan","ABCB subfamily","ABCC subfamily","SLC21/SLCO family of organic anion transporting polypeptides","Cytochrome P450 family 3A","Nuclear hor
mone receptor subfamily 1 group F","Jumonji domain-containing","Cytochrome P450 family 5A","Nuclear hormone receptor subfamily 5 group A","Threonine protease T1A subfamily","Cytochrome P450 3A4","Nucl
ear hormone receptor subfamily 1 group F member 3","Cytochrome P450 5A1","Nuclear hormone receptor subfamily 5 group A member 1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Kinases (EC 2.7.x.x)","Neuropeptide S receptor",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily",Transporters
,"Other protein targets","Peptidases and proteinases","ATP-binding cassette transporter family","SLC superfamily of solute carriers","Catecholamine turnover","Cytochrome P450","Nuclear hormone recepto
rs","Eicosanoid turnover","Chromatin modifying enzymes",Tubulins,"PB: Threonine (T) Peptidases","ABCB subfamily","ABCC subfamily","SLCO family of organic anion transporting polypeptides","CYP3 family"
,"1F. Retinoic acid-related orphans",Lipoxygenases,"1.14.11.- Histone demethylases",CYP5,"CYP7 and CYP8 families","5A. Fushi tarazu F1-like receptors","T1: Proteasome"}

> <pathway_reactome>
{"Cell Cycle","DNA Repair","Neuronal System",Disease,"Developmental Biology","Gene expression (Transcription)",Mitotic,"DNA Double-Strand Break Repair","Transmission across Chemical Synapses","Infecti
ous disease","Nervous system development","RNA Polymerase II Transcription","M Phase","Mitotic G1 phase and G1/S transition","Homology Directed Repair","Neurotransmitter receptors and postsynaptic sig
nal transmission","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","G1/S Transition","HDR throug
h Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Activation of NMDA receptors and postsynaptic events","Leishmania parasite growth and survival","Transcriptional Regulation by TP53"
,"Mitotic Anaphase","Activation of the pre-replicative complex","HDR through Homologous Recombination (HRR)","Post NMDA receptor activation events","Anti-inflammatory response favouring Leishmania par
asite infection","Regulation of TP53 Activity","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","ADORA2B mediated anti-inflamma
tory cytokines production","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Regulati
on of TP53 Degradation",Hemostasis,Metabolism,"Cellular responses to external stimuli","Immune System","Metabolism of proteins","Platelet activation","signaling and aggregation","Metabolism of lipids"
,"Biological oxidations","Abacavir transport and metabolism","Cellular responses to stress","Disorders of transmembrane transporters","Innate Immune System","Post-translational protein modification","
Regulation of mitotic cell cycle","Response to elevated platelet cytosolic Ca2+","Metabolism of steroids","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators
 (SPMs)","Abacavir transmembrane transport","Cellular response to hypoxia","ABC transporter disorders","Fatty acid metabolism","Mitotic G2-G2/M phases","Toll-like Receptor Cascades",SUMOylation,"APC/C
-mediated degradation of cell cycle proteins","Platelet degranulation","Bile acid and bile salt metabolism","Amine Oxidase reactions","Biosynthesis of DHA-derived SPMs","Transcriptional regulation by 
RUNX3","Biosynthesis of DPA-derived SPMs","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional Regulation by MECP2","Defective ABCC2 causes DJS","Cytochrome P450
 - arranged by substrate type","Arachidonic acid metabolism","G2/M Transition","Toll Like Receptor 5 (TLR5) Cascade","SUMO E3 ligases SUMOylate target proteins","Activation of APC/C and APC/C:Cdc20 me
diated degradation of mitotic proteins","Recycling of bile acids and salts","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Biosynthesis of maresins","RUNX3 Regulates Immun
e Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Regulation of MECP2 expression and activity",Eicosanoids,"Synthesis of bile acids and bile salts","Synthesis of Leukotrienes (LT) and Eoxi
ns (EX)","Centrosome maturation","MyD88 cascade initiated on plasma membrane","SUMOylation of intracellular receptors","APC/C:Cdc20 mediated degradation of mitotic proteins","Biosynthesis of maresin-l
ike SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Loss of proteins required for interphase microtubule organiz
ation from the centrosome","MAP kinase activation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Loss of Nlp from mitotic centrosomes","MAP
K targets/ Nuclear events mediated by MAP kinases","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{JUN,TUBA1A,TUBB,TUBD1,TUBE1,TUBG1}

> <broad_moa>
{"microtubule inhibitor","tubulin polymerization inhibitor"}

> <synonyms>
{"Vinblastine sulfate","vincaleukoblastine,sulfate(1:1)",143-67-9,143679,1212440-53-3,1212440533,SR-05000001738,SR05000001738,MFCD08706468,SPECTRUM1500611,HMS2092C18,Pharmakon1600-01500611,Pharmakon16
0001500611,CCG-39040,CCG39040,NSC757384,NSC-757384,SR-05000001738-1,SR050000017381,SR-05000001738-2,SR050000017382,T1668,1500611,"VINBLASTINE SULFATE"}

> <pdid>
PD006244

> <targets>
{}

> <classes>
{antineoplastic,"spindle poison"}

> <pubchem_cids>
{9962911}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    7.0503  -11.0244    0.0000 C   0  0
    5.5827  -10.7143    0.0000 C   0  0
    5.1163   -9.2878    0.0000 C   0  0
    3.6479   -8.9775    0.0000 S   0  0
    2.6459  -10.0938    0.0000 O   0  0
    4.1134  -10.4035    0.0000 O   0  0
    3.1815   -7.5510    0.0000 N   0  0
    1.7131   -7.2408    0.0000 C   0  0
    0.7130   -8.3588    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -2.6917   -6.3197    0.0000 F   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.4995    3.7442    0.0000 Cl  0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
    1.2449   -5.8157    0.0000 C   0  0
    2.2449   -4.6977    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  2  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 16  1  0
 24 19  1  0
 22 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 31 25  1  0
 13 32  2  0
 32  8  1  0
 32 33  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15531

> <plate>
PLATE 003

> <well>
H7

> <supplier_cmpd_name>
Vemurafenib

> <ctcr_id>
503

> <supplier_cmpd_id>
T2382

> <smiles>
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)c4ccc(Cl)cc4)c1F

> <pd_targets>
{BRAF,MAP2K1,MAP2K2,ARAF,CHRM1,RAF1,KDR,CHRM3,MAP3K20,CHRM2,FECH,KRAS}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein",Kinase,"Family A G protein-coupled receptor","Protein Kinase","Small molecule receptor (family A GPCR)","TKL protein kinase group","STE protein kinas
e group","Monoamine receptor","TK protein kinase group","TKL protein kinase RAF family","STE protein kinase STE7 family","Acetylcholine receptor","Tyrosine protein kinase VEGFR family","TKL protein ki
nase MLK family","TKL protein kinase MLK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","G protein-coupled receptors","3.6.5.2 Small monomeric GTPases","Receptor kinases","Acetylcholine receptors (muscarinic)","RAS subfamily","TKL: Tyrosine kinase
-like","TK: Tyrosine kinase","RAF family","Receptor tyrosine kinases (RTKs)","Mixed Lineage Kinase (MLK) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","MLK subfamil
y"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Neuronal System","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by GP
CR","MAPK family signaling cascades","Metabolism of porphyrins","Transmission across Chemical Synapses","Signaling by NTRKs","Oncogenic MAPK signaling","GPCR ligand binding","MAPK1/MAPK3 signaling","S
ignaling by VEGF","Heme biosynthesis","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by NTRK1 (TRKA)","Signaling by RAS mutants","Class A/1 (Rhodopsin-like receptors)","R
AF/MAP kinase cascade","VEGFA-VEGFR2 Pathway","Activation of NMDA receptors and postsynaptic events","Signalling to ERKs","Signaling downstream of RAS mutants","Amine ligand-binding receptors","Negati
ve regulation of MAPK pathway","VEGFR2 mediated cell proliferation","Post NMDA receptor activation events","Prolonged ERK activation events","Muscarinic acetylcholine receptors","Negative feedback reg
ulation of MAPK pathway","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","ARMS-mediated activation","Ras activation upon Ca2+ influx through NMDA receptor"}

> <broad_targets>
{BRAF,RAF1}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{Vemurafenib,918504-65-1,918504651,PLX4032,Zelboraf,1029872-54-5,1029872545,PLX-4032,RG7204,"PLX 4032","RG 7204","Vemurafenib (PLX4032, RG7204)",RO5185426,"RO 5185426",UNII-207SMY3FQT,UNII207SMY3FQT,"
Vemurafenib (PLX4032)",RG-7204,207SMY3FQT,CHEBI:63637,MFCD18074504,NSC761431,Ve,T2382,761431,S1267,"NSC 761431",vemurafenib}

> <pdid>
PD003414

> <targets>
{Raf,"B-RafV600E kinase Inhibitor",Autophagy}

> <classes>
{BRAF inhibitor,Autophagy,MAPK/ERK Pathway}

> <pubchem_cids>
{42611257}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
    7.8125   -5.9872    0.0000 C   0  0
    9.1087   -5.2323    0.0000 O   0  0
    7.8187   -7.4880    0.0000 C   0  0
    7.8242   -8.9880    0.0000 C   0  0
    6.5226   -8.2430    0.0000 C   0  0
    9.1204   -8.2335    0.0000 N   0  0
    6.5102   -5.2414    0.0000 N   0  0
    6.5040   -3.7405    0.0000 C   0  0
    5.2034   -2.9932    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4978   -0.7405    0.0000 C   0  0
    7.7984   -1.4879    0.0000 C   0  0
    7.8015   -2.9878    0.0000 C   0  0
    3.8990   -0.7455    0.0000 S   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.5988    0.0025    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -5.1977   -2.9829    0.0000 O   0  0
   -5.1903   -1.4829    0.0000 C   0  0
   -0.0128   -6.0039    0.0000 Cl  0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  1  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 10 14  1  0
 14 15  2  0
 14 16  2  0
 14 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 29 31  1  0
 31 32  1  0
 26 33  1  0
 21 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15532

> <plate>
PLATE 003

> <well>
H8

> <supplier_cmpd_name>
Pilaralisib

> <ctcr_id>
11405

> <supplier_cmpd_id>
T2365

> <smiles>
C(=O)(C(C)(C)N)Nc1cc(ccc1)S(=O)(=O)Nc1nc2c(nc1Nc1c(ccc(c1)OC)Cl)cccc2

> <pd_targets>
{PIK3CB,PIK3CA,PIK3CG,PIK3C3,PIK3CD,PRKDC,PIK3R1,PIK3R2,PIK3R3,PIK3R5}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidylinositol 3-kinase family","Phosphatidyl inositol 3' kinase-relat
ed kinases (PIKK) family","Other PIKK family kinases"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Immune System","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lip
ids","Cytokine Signaling in Immune system","Innate Immune System","Signaling by Insulin receptor","Signaling by FGFR in disease","Phospholipid metabolism","Signaling by Interleukins","Cytosolic sensor
s of pathogen-associated DNA","Insulin receptor signalling cascade","Signaling by FGFR1 in disease","PI Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","STING mediated induction of host
 immune responses","IRS-mediated signalling","FGFR1 mutant receptor activation","Synthesis of PIPs at the plasma membrane","Interleukin receptor SHC signaling","IRF3-mediated induction of type I IFN",
"PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
{}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{Pilaralisib,934526-89-3,934526893,XL-147,XL147,SAR-245408,SAR245408,"Pilaralisib (XL147)",UNII-60ES45KTMK,UNII60ES45KTMK,60ES45KTMK,"Pilaralisib (USAN:INN)","Pilaralisib, SAR245408",SCHEMBL189422,CHE
MBL3360203,SCHEMBL14921345,SCHEMBL16154579,EX-A196,EXA196,AMY10846,BCP15312,BDBM50197062,MFC,T2365}

> <pdid>
PD012456

> <targets>
{PI3K,PI3K¦Á,PI3K¦Â,PI3K¦Ã,PI3K¦Ä}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{56599306}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
  -14.8054    1.5994    0.0000 C   0  0
  -14.3471    0.1711    0.0000 N   0  0
  -15.3549   -0.9399    0.0000 C   0  0
  -14.8966   -2.3682    0.0000 C   0  0
  -13.4306   -2.6856    0.0000 N   0  0
  -12.9691   -4.1137    0.0000 C   0  0
  -11.5018   -4.4291    0.0000 C   0  0
  -10.4979   -3.3146    0.0000 C   0  0
   -9.0307   -3.6268    0.0000 C   0  0
   -8.5674   -5.0535    0.0000 C   0  0
   -7.1001   -5.3688    0.0000 N   0  0
   -6.6386   -6.7970    0.0000 C   0  0
   -7.6445   -7.9097    0.0000 O   0  0
   -5.1713   -7.1123    0.0000 C   0  0
   -4.7081   -8.5390    0.0000 C   0  0
   -3.2409   -8.8512    0.0000 C   0  0
   -2.2370   -7.7366    0.0000 C   0  0
   -0.7698   -8.0488    0.0000 C   0  0
   -2.7002   -6.3100    0.0000 C   0  0
   -4.1674   -5.9978    0.0000 C   0  0
   -1.6958   -5.1948    0.0000 C   0  0
   -0.6913   -4.0797    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -9.5715   -6.1680    0.0000 C   0  0
  -11.0386   -5.8558    0.0000 C   0  0
  -12.0431   -6.9709    0.0000 C   0  0
  -11.5808   -8.3979    0.0000 F   0  0
  -13.5102   -6.6582    0.0000 F   0  0
  -13.0476   -8.0849    0.0000 F   0  0
  -12.4228   -1.5745    0.0000 C   0  0
  -12.8811   -0.1462    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 14  1  0
 19 21  1  0
 21 22  3  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 23  1  0
 31 26  1  0
 10 32  1  0
 32 33  2  0
 33  7  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 34 37  1  0
  5 38  1  0
 38 39  1  0
 39  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15533

> <plate>
PLATE 003

> <well>
H9

> <supplier_cmpd_name>
Ponatinib

> <ctcr_id>
2107

> <supplier_cmpd_id>
T2372

> <smiles>
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc5cccnn45)cc2C(F)(F)F)CC1

> <pd_targets>
{FGFR3,FGFR4,FGFR2,PDGFRA,ABL1,KIT,SRC,BCR,FGFR1,RIPK2,KDR,RET,FLT1,ABL2,LYN,PDGFRB,CDK8,CDK19,RIPK1,GSK3B,RIPK3,CCDC6,FLT3,TEK,LCK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Atypical protein kinase group","TKL protein kinase group","CMGC protein kinase group","Tyrosine protein kinase FGFR family","Tyrosine protein
 kinase PDGFR family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Src family","Atypical protein kinase BCR family","TKL protein kinase RIPK family","Tyrosine protein kinase VEGFR fam
ily","Tyrosine protein kinase Ret family","CMGC protein kinase CDK family","CMGC protein kinase GSK family","Tyrosine protein kinase Tie family","CMGC protein kinase CDK8 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Atypical,"TK: Tyrosine kinase","TKL: Tyrosine kinase-like","Cyclin-de
pendent kinase (CDK) family","Glycogen synthase kinase (GSK) family","BCR family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Receptor interacting protein kinase (RIPK)
 family","CDK8 subfamily","GSK subfamily","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Abl family","Src family","Type IV RTKs: 
VEGF (vascular endothelial growth factor) receptor family","Type XIV RTKs: RET","Type XII RTKs: TIE family of angiopoietin receptors"}

> <pathway_reactome>
{Disease,"Signal Transduction","Immune System","Developmental Biology",Metabolism,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kin
ases","Infectious disease","Innate Immune System","Nervous system development","Intracellular signaling by second messengers","Metabolism of lipids","MAPK family signaling cascades","Signaling by FGFR
 in disease","Signaling by FGFR","Signaling by PDGFR in disease","Leishmania infection","Signaling by KIT in disease","Signaling by NTRKs","Toll-like Receptor Cascades","Signaling by VEGF","Axon guida
nce","PIP3 activates AKT signaling","Signaling by NOTCH1 in Cancer","Regulation of lipid metabolism by PPARalpha","SARS-CoV Infections","Signaling by Insulin receptor","MAPK1/MAPK3 signaling","HIV Inf
ection","Signaling by FGFR3 in disease","Signaling by FGFR4","Signaling by FGFR2 in disease","Drug resistance of PDGFR mutants","Parasite infection","Drug resistance of KIT mutants","Signaling by NTRK
1 (TRKA)","Signaling by FGFR1 in disease","Toll Like Receptor 5 (TLR5) Cascade","VEGFA-VEGFR2 Pathway","RET signaling","VEGF ligand-receptor interactions","Leishmania parasite growth and survival","Ne
gative regulation of the PI3K/AKT network","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","PPARA activates gene expression","Toll Like Receptor 4 (TLR4) Cascade","SARS-CoV-1 Infection","Insuli
n receptor signalling cascade","RAF/MAP kinase cascade","Host Interactions of HIV factors","Signaling by FGFR3 point mutants in cancer","Downstream signaling of activated FGFR4","FGFR2 mutant receptor
 activation","Imatinib-resistant PDGFR mutants","Leishmania phagocytosis","Dasatinib-resistant KIT mutants","Signalling to ERKs","FGFR1 mutant receptor activation","MyD88 cascade initiated on plasma m
embrane","VEGFR2 mediated cell proliferation","VEGF binds to VEGFR leading to receptor dimerization","Anti-inflammatory response favouring Leishmania parasite infection",PI5P,"PP2A and IER3 Regulate P
I3K/AKT Signaling","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","MyD88-independent TLR4 cascade","SARS-CoV-1 Genome Replication and Transcription","IRS-mediated signalling","The role of N
ef in HIV-1 replication and disease pathogenesis","FGFR3 mutant receptor activation","FRS-mediated FGFR4 signaling","Activated point mutants of FGFR2","FCGR3A-mediated phagocytosis","Signalling to RAS
","Signaling by activated point mutants of FGFR1","MAP kinase activation","FCGR3A-mediated IL10 synthesis","TRIF(TICAM1)-mediated TLR4 signaling","Replication of the SARS-CoV-1 genome","PI3K Cascade",
"Signaling by cytosolic FGFR1 fusion mutants","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Signaling by activated point mutants of FGFR3","p38MAPK 
events","activated TAK1 mediates p38 MAPK activation","IKK complex recruitment mediated by RIP1","Nef Mediated CD4 Down-regulation"}

> <broad_targets>
{ABL1,BCR,FGFR1,FGFR2,FGFR3,FGFR4,FLT3,KDR,KIT,LCK,LYN,PDGFRA,RET,SRC,TEK}

> <broad_moa>
{"Bcr-Abl kinase inhibitor","FLT3 inhibitor","PDGFR tyrosine kinase receptor inhibitor"}

> <synonyms>
{D09950,Q-4579,Q4579,AB01565847_03,AB0156584703,AB01565847-03,"AB01565847 03",Q198728,PONATINIB,943319-70-8,943319708,AP24534,"Ponatinib (AP24534)","AP 24534",Iclusig,AP-24534,UNII-4340891KFS,UNII4340
891KFS,AP24534(Ponatinib),CHEMBL1171837,CHEBI:78543,"943319-70-8 (free base)","943319708 (free base)",4340891KFS,C29H27F3N6O,"Ponatinib (USAN:INN)",T2372,758487,Ponatinib,S1490}

> <pdid>
PD004100

> <targets>
{"FGFR | FLT-3 | Src-bcr-Abl | VEGFR-",Flt,FGFR,VEGFR,Bcr-Abl,PDGFR,Autophagy,Src}

> <classes>
{Bcr-Abl inhibitor,Angiogenesis,Autophagy,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{24826799}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 35 39  0  0  0  0            999 V2000
   -1.3553   -2.5513    0.0000 C   0  0
   -0.4775   -3.7676    0.0000 O   0  0
    1.0157   -3.6164    0.0000 C   0  0
    1.6281   -2.2462    0.0000 C   0  0
    3.1202   -2.0921    0.0000 O   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -0.4623    2.7009    0.0000 N   0  0
   -1.9623    2.7008    0.0000 N   0  0
   -2.4258    1.2743    0.0000 C   0  0
   -3.8515    0.8135    0.0000 N   0  0
   -4.9659    1.8188    0.0000 C   0  0
   -4.6522    3.2856    0.0000 O   0  0
   -6.3940    1.3573    0.0000 C   0  0
   -7.5092    2.3604    0.0000 C   0  0
   -8.9356    1.8962    0.0000 C   0  0
   -9.2468    0.4288    0.0000 C   0  0
   -8.1316   -0.5743    0.0000 C   0  0
   -6.7052   -0.1101    0.0000 C   0  0
  -10.6739   -0.0356    0.0000 N   0  0
  -11.7908    0.9658    0.0000 C   0  0
  -13.2164    0.4993    0.0000 C   0  0
  -13.5252   -0.9685    0.0000 N   0  0
  -14.9509   -1.4350    0.0000 C   0  0
  -12.4085   -1.9699    0.0000 C   0  0
  -10.9828   -1.5035    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
    1.8954   -4.8324    0.0000 C   0  0
    1.2853   -6.2028    0.0000 C   0  0
    2.1669   -7.4164    0.0000 C   0  0
    3.6587   -7.2596    0.0000 C   0  0
    4.2689   -5.8893    0.0000 C   0  0
    3.3872   -4.6758    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 21  1  0
 11 28  1  0
 28  8  2  0
 28 29  1  0
 29  6  1  0
  3 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15534

> <plate>
PLATE 003

> <well>
H10

> <supplier_cmpd_name>
Danusertib

> <ctcr_id>
1335

> <supplier_cmpd_id>
T2094

> <smiles>
COC(C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N4CCN(C)CC4)c2C1)c5ccccc5

> <pd_targets>
{AURKC,AURKA,AURKB,LCK,SLK,ABL1,FGFR1,FLT4,KDR,CDK2,FLT3,PLK1,NTRK1,RET,KIT,CAMK2G,MARK3,CAMK2B,MARK2,FLT1,EPHA2,NTRK2,SYK,FES,MAP4K2,ALK,PLK4,NTRK3,PRKAA1,PRKCD,LRRK2,EGFR,PTK6,ITK,PRKD3,FGFR3,CAMK2D
,CLK4,CLK2,CSF1R,BRSK1,PRKD2,FRK,MAP4K4,PHKG2,LIMK1,JAK2,DAPK3,PAK4,JAK3,TSSK1B,BTK,FYN,MAP4K5,DCLK1,STK3,SRC,ACVR1,CDK7,FER,LTK,TNK2,TAOK1,CDK5,ROS1,PTK2,MST1R,SRMS,LYN,BLK,MELK,PKN2,CDK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","TK protein kinase group","STE protein kinase group","CMGC protein kinase group","Other protein kinase AUR family","Tyrosine protein kinase
 Src family","STE protein kinase STE20 family","Tyrosine protein kinase Abl family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase VEGFR family","CMGC protein kinase CDK family","Tyros
ine protein kinase PDGFR family","Other protein kinase PLK family","Tyrosine protein kinase Trk family","Tyrosine protein kinase Ret family","STE protein kinase SLK subfamily","CMGC protein kinase CDC
2 subfamily","CAMK protein kinase group","TKL protein kinase group","AGC protein kinase group","CAMK protein kinase CAMK2 family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Eph family
","Tyrosine protein kinase Syk family","Tyrosine protein kinase Fer family","TKL protein kinase STKR family","AGC protein kinase PKC family","TKL protein kinase LRRK family","Tyrosine protein kinase E
GFR family","Tyrosine protein kinase Tec family","CAMK protein kinase PKD family","CMGC protein kinase CLK family","CAMK protein kinase PHk family","TKL protein kinase LISK family","Tyrosine protein k
inase JakA family","CAMK protein kinase DAPK family","CAMK protein kinase TSSK family","CAMK protein kinase DCAMK1 family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Ack family","Ty
rosine protein kinase Sev family","Tyrosine protein kinase Fak family","Tyrosine protein kinase Met family","AGC protein kinase PKN family","CAMK protein kinase MARK subfamily","STE protein kinase KHS
 subfamily","TKL protein kinase STKR Type 1 subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase PKC delta subfamily","CAMK protein kinase BRSK subfamily","STE protein kinase MSN subfam
ily","TKL protein kinase LIMK subfamily","STE protein kinase PAKB subfamily","Tyrosine protein kinase SrcA","STE protein kinase MST subfamily","TKL protein kinase STKR1","CMGC protein kinase CDK7 subf
amily","STE protein kinase TAO subfamily","CMGC protein kinase CDK5 subfamily","Tyrosine protein kinase Srm","CAMK protein kinase MELK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",
"Other protein kinases","TK: Tyrosine kinase","STE20 family","Cyclin-dependent kinase (CDK) family","Aurora kinase (Aur) family","Non-receptor tyrosine kinases (nRTKs)","SLK subfamily","Receptor tyros
ine kinases (RTKs)","CDK1 subfamily","Polo-like kinase (PLK) family","Src family","Abl family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial g
rowth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type XIV RTKs: RET","CAMK: Calcium/calmodulin-dependent protein
 kinases","AGC: Containing PKA",PKG,"PKC families","CAMK2 family","CAMK-like (CAMKL) family","Protein kinase C (PKC) family","TKL: Tyrosine kinase-like","Protein kinase D (PKD) family","CLK family","P
hosphorylase kinase (PHK) family","Death-associated kinase (DAPK) family","Testis specific kinase (TSSK) family","DCAMKL family","Protein kinase N (PKN) family","MARK subfamily","KHS subfamily","AMPK 
subfamily","Delta subfamily","Leucine-rich repeat kinase (LRRK) family","BRSK subfamily","MSN subfamily","LIM domain kinase (LISK) family","PAKB subfamily","MST subfamily","Receptor serine/threonine k
inase (RSTK) family","CDK7 subfamily","TAO subfamily","CDK5 subfamily","MELK subfamily","Type XIII RTKs: Ephrin receptor family","Syk family","Fer family","Type XIX RTKs: Leukocyte tyrosine kinase (LT
K) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Tec family","LIMK subfamily","Janus kinase (JakA) family","Type I receptor serine/threonine kinases","Ack family","Ty
pe XVII RTKs: ROS receptors","Fak family","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle",Disease,"Signal Transduction","Developmental Biology","RNA Polymerase II Transcription",Mitotic,"Infectious disease","Diseases of signal transduction by
 growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Nervous system development","Generic Transcription Pathway","M Phase","HIV Infection","Leishmania infection","
Signaling by FGFR in disease","Signaling by VEGF","Signaling by Insulin receptor","Mitotic G2-G2/M phases","Signaling by NTRKs","Axon guidance","Signaling by KIT in disease","Transcriptional Regulatio
n by TP53","Mitotic Metaphase and Anaphase","Host Interactions of HIV factors","Parasite infection","Signaling by FGFR1 in disease","VEGF ligand-receptor interactions","VEGFA-VEGFR2 Pathway","Insulin 
receptor signalling cascade","G2/M Transition","Signaling by NTRK1 (TRKA)","RET signaling","Drug resistance of KIT mutants","Regulation of TP53 Activity","Mitotic Anaphase","The role of Nef in HIV-1 r
eplication and disease pathogenesis","Leishmania phagocytosis","FGFR1 mutant receptor activation","VEGF binds to VEGFR leading to receptor dimerization","VEGFR2 mediated cell proliferation","IRS-media
ted signalling","Centrosome maturation","Signalling to ERKs","Dasatinib-resistant KIT mutants","Regulation of TP53 Activity through Phosphorylation","Separation of Sister Chromatids","Nef-mediates dow
n modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated phagocytosis","Signaling by activated point mutants of FGFR1","Regulation of TP53 Expression and Degrad
ation","PI3K Cascade","Loss of proteins required for interphase microtubule organization from the centrosome","Prolonged ERK activation events","Nef Mediated CD4 Down-regulation","Regulation of TP53 D
egradation","Loss of Nlp from mitotic centrosomes","ARMS-mediated activation","Neuronal System","Immune System",Metabolism,"Cellular responses to external stimuli","Programmed Cell Death","Transmissio
n across Chemical Synapses","Intracellular signaling by second messengers","Signaling by Non-Receptor Tyrosine Kinases","Signaling by GPCR","Adaptive Immune System","Metabolism of lipids","Cellular re
sponses to stress","Metabolism of carbohydrates",Apoptosis,"Cytokine Signaling in Immune system","Signaling by Hippo","Signaling by Rho GTPases","Neurotransmitter receptors and postsynaptic signal tra
nsmission","Oncogenic MAPK signaling","DAG and IP3 signaling","Signaling by PTK6","GPCR downstream signalling","Mitotic G1 phase and G1/S transition","TCR signaling","Sphingolipid metabolism","PIP3 ac
tivates AKT signaling","Cellular Senescence","Glycogen metabolism","Caspase activation via extrinsic apoptotic signalling pathway","Signaling by Interleukins","Signaling by SCF-KIT","Signaling by MST1
","RHO GTPase Effectors","Regulation of mitotic cell cycle","Activation of NMDA receptors and postsynaptic events","Signaling by RAS mutants","EPH-Ephrin signaling","Leishmania parasite growth and sur
vival","Semaphorin interactions","Signaling by NTRK3 (TRKC)","CaM pathway","PTK6 promotes HIF1A stabilization","G alpha (q) signalling events","G1 Phase","Generation of second messenger molecules","Sp
hingolipid de novo biosynthesis","Signaling by FGFR3 in disease","Transcriptional Regulation by VENTX","PTEN Regulation","Oxidative Stress Induced Senescence","Glycogen breakdown (glycogenolysis)","Ca
spase activation via Dependence Receptors in the absence of ligand","Signaling by ROBO receptors","Interleukin-2 family signaling","HIV Life Cycle","PTK6 Down-Regulation","Transcriptional regulation b
y RUNX1","RHO GTPases activate PKNs","APC/C-mediated degradation of cell cycle proteins","Post NMDA receptor activation events","Signaling downstream of RAS mutants","EPHA-mediated growth cone collaps
e","Activation of TRKA receptors","Anti-inflammatory response favouring Leishmania parasite infection","CRMPs in Sema3A signaling","Activated NTRK3 signals through PI3K","Calmodulin induced events","G
astrin-CREB signalling pathway via PKC and MAPK","Cyclin D associated events in G1","Signaling by FGFR3 point mutants in cancer","Regulation of PTEN stability and activity","Sema4D in semaphorin signa
ling","Activation of RAC1","Interleukin-15 signaling","Late Phase of HIV Life Cycle","RUNX1 regulates transcription of genes involved in BCR signaling","Activation of APC/C and APC/C:Cdc20 mediated de
gradation of mitotic proteins","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","NGF-independant TRKA activation","FCGR3A-mediated IL10 synthesis","EGFR Transactivati
on by Gastrin","FGFR3 mutant receptor activation","Sema4D induced cell migration and growth-cone collapse","Nef and signal transduction","Signalling to RAS","Transcription of the HIV genome","APC/C:Cd
c20 mediated degradation of mitotic proteins","Ras activation upon Ca2+ influx through NMDA receptor","Signaling by activated point mutants of FGFR3","p38MAPK events","HIV Transcription Elongation","A
PC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Tat-mediated elongation of the HIV-1 transcript","Cdc20:Phospho-APC/C mediated degradation of C
yclin A","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HA739358(DANUSERTIB,CHEMBL1981047,Kinome_3738,Kinome3738,Kinome-3738,"Kinome 3738",ACMC-20c501,ACMC20c501,SCHEMBL2685432,HMS3244O13,HMS3244O14,HMS3244P13,HMS3654A04,BDBM50466807,AKOS015851423,NCGC003
89696-01,NCGC0038969601,AK468661,DB-014747,DB014747,FT-0665468,FT0665468,136M937,T2094,S1107,Danusertib,PHA-739358(Danusertib),"Danusertib (PHA-739358)"}

> <pdid>
PD011133

> <targets>
{"Aurora | FGFR | Src-bcr-Abl","Aurora Kinase",c-RET,FGFR,Bcr-Abl}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{21874004}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 42 45  0  0  1  0            999 V2000
   14.2784   -3.0066    0.0000 Na  0  3
    3.8858   -0.7535    0.0000 C   0  0
    3.8860    0.7465    0.0000 C   0  0
    2.5870   -0.0036    0.0000 C   0  0
    2.5868    1.4962    0.0000 O   0  0
    5.1860    1.4964    0.0000 C   0  0
    5.1866    2.9964    0.0000 C   0  0
    6.4859    3.7459    0.0000 C   0  0
    7.7847    2.9954    0.0000 C   0  0
    7.7841    1.4954    0.0000 C   0  0
    6.4848    0.7458    0.0000 C   0  0
    6.4872   -0.7550    0.0000 C   0  0
    7.7877   -1.5041    0.0000 C   0  0
    7.7902   -3.0050    0.0000 C   0  0  1  0  0  0
    9.0907   -3.7541    0.0000 S   0  0
    9.0932   -5.2549    0.0000 C   0  0
   10.3937   -6.0040    0.0000 C   0  0
   11.7784   -6.0690    0.0000 C   0  0
   11.0269   -4.7708    0.0000 C   0  0
   10.3957   -7.5052    0.0000 C   0  0
    9.0974   -8.2582    0.0000 C   0  0
    7.7971   -7.5103    0.0000 O   0  5
    9.0994   -9.7582    0.0000 O   0  0
    6.4915   -3.7571    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 Cl  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    5.1925   -3.0070    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  1  0
 14 13  1  1
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 17  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 14 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 39 40  1  0
 40 34  1  0
 40 41  2  0
 41 31  1  0
 28 42  2  0
 42 24  1  0
M  CHG  2   1   1  22  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15535

> <plate>
PLATE 003

> <well>
H11

> <supplier_cmpd_name>
Montelukast sodium

> <ctcr_id>
5120

> <supplier_cmpd_id>
T1677L

> <smiles>
[Na+].CC(C)(O)c1ccccc1CC[C@@H](SCC2(CC2)CC([O-])=O)c3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"MONTELUKAST SODIUM",151767-02-1,151767021,Singulair,Montair,"Montelukast (sodium)",MK-0476,MK0476,UNII-U1O3J18SFL,UNIIU1O3J18SFL,"MONTELUKAST Na",MK-476,MK476,U1O3J18SFL,CHEBI:6993,"151767-02-1 (sod
ium)","151767021 (sodium)","Montelukast sodium salt",DSSTox_CID_26450,DSSToxCID26450,DSSTox-CID-26450,"DSSTox CID 26450",DSSTox_RID_81624,DSSToxRID81624,DSSTox-RID-81624,"DSSTox RID 81624",DSSTox_GSID
_464,DSSToxGSID464,DSSTox-GSID-464,"DSSTox GSID 464",T1677L,SAM001246657,"Montelukast sodium",CPD000469188}

> <pdid>

> <targets>
{Leukotriene Receptor}

> <classes>
{GPCR/G Protein}

> <pubchem_cids>
{23663996}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
   -2.6917   -6.3197    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 O   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0031    0.0000 O   0  0
    3.8976    0.7554    0.0000 O   0  0
    1.2449   -5.8157    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
    0.7130   -8.3588    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
   -1.7558   -9.1703    0.0000 C   0  0
   -1.2885  -10.5957    0.0000 F   0  0
   -3.2239   -8.8628    0.0000 F   0  0
   -2.7564  -10.2879    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  5  1  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
 10 21  1  0
 21 22  2  0
 21 23  1  0
  3 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27  2  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15536

> <plate>
PLATE 004

> <well>
A2

> <supplier_cmpd_name>
GSK-2636771

> <ctcr_id>
257

> <supplier_cmpd_id>
T2073

> <smiles>
Cc1c(Cn2c(C)nc3c(cc(cc23)N4CCOCC4)C(=O)O)cccc1C(F)(F)F

> <pd_targets>
{PIK3CB}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by Insulin receptor","Insulin receptor signalling cascade","IRS-mediated signalling","PI3K Cascade"}

> <broad_targets>
{PIK3CB}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{HMS3749O03,GSK2636771,1372540-25-4,1372540254,GSK-2636771,UNII-DW94IAT0LS,UNIIDW94IAT0LS,DW94IAT0LS,"GSK 2636771","1372540-25-4 (free base)","1372540254 (free base)",cc-414,cc414,MLS006011177,GTPL796
7,SCHEMBL1280998,CHEMBL3188551,DTXSID10160124,EX-A434,EXA434,QCR-187,QCR187,HMS3653H17,HMS3673E13,AMY24240,AOB87319,T2073,17380,S8002}

> <pdid>
PD003642

> <targets>
{PI3K}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{56949517}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5532   -4.4223    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 N   0  0
   -0.7600   -8.0526    0.0000 C   0  0
   -1.7622   -9.1698    0.0000 C   0  0
   -1.2990  -10.5965    0.0000 C   0  0
   -2.3028  -11.7111    0.0000 C   0  0
   -3.7700  -11.3990    0.0000 C   0  0
   -4.7767  -12.5121    0.0000 C   0  0
   -6.2443  -12.1977    0.0000 C   0  0
   -7.2510  -13.3108    0.0000 C   0  0
   -6.7902  -14.7383    0.0000 O   0  0
   -8.7185  -12.9965    0.0000 N   0  0
   -9.7247  -14.1089    0.0000 O   0  0
   -4.2333   -9.9723    0.0000 C   0  0
   -3.2294   -8.8578    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10  2  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 18 25  1  0
 25 26  2  0
 26 15  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15537

> <plate>
PLATE 004

> <well>
A3

> <supplier_cmpd_name>
Panobinostat

> <ctcr_id>
7451

> <supplier_cmpd_id>
T2383

> <smiles>
Cc1[nH]c2ccccc2c1CCNCc3ccc(\C=C\C(=O)NO)cc3

> <pd_targets>
{HDAC7,HDAC5,HDAC6,HDAC8,HDAC9,HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,BRD4,NCOR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,Reader,"Histone deacetylase",Bromodomain,"HDAC class IIa","HDAC class IIb","HDAC class I","HDAC class IV"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)","Enzymatic bromodomain-containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription",Mitotic,"Disorders of Devel
opmental Biology","Infectious disease","Signaling by NOTCH1 in Cancer","Generic Transcription Pathway","M Phase","Disorders of Nervous System Development","SARS-CoV Infections","Signaling by NOTCH1 HD
+PEST Domain Mutants in Cancer","Transcriptional regulation by RUNX2","Mitotic Metaphase and Anaphase","Pervasive developmental disorders","Transcriptional Regulation by TP53","Potential therapeutics 
for SARS","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","RUNX2 regulates bone development","Mitotic Anaphase","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","RU
NX2 regulates osteoblast differentiation","Separation of Sister Chromatids","Loss of MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability 
to the NCoR/SMRT complex","RUNX2 regulates chondrocyte maturation"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC4,HDAC6,HDAC7,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{AM808102,AS-17046,AS17046,HY-10224,HY10224,QC-10419,QC10419,SMR004702978,Panobinostat,404950-80-7,404950807,LBH589,LBH-589,Farydak,Faridak,"LBH 589","Panobinostat (LBH589)",NVP-LBH-589,NVPLBH589,UNII
-9647FM7Y3Z,UNII9647FM7Y3Z,LBH-589B,LBH589B,CHEBI:85990,9647FM7Y3Z,"404950-80-7 (free base)","404950807 (free base)",NVP-LBH589,"Farydak (TN)",T2383,761190,S1030}

> <pdid>
PD003575

> <targets>
{HDAC,Apoptosis,Autophagy,HIV}

> <classes>
{Anti-infection,Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{6918837}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 47 53  0  0  0  0            999 V2000
    6.4396   -9.0101    0.0000 C   0  0
    4.9576   -8.7783    0.0000 C   0  0
    4.4162   -7.3785    0.0000 O   0  0
    2.9334   -7.1466    0.0000 C   0  0
    2.3903   -5.7483    0.0000 C   0  0
    3.3277   -4.5763    0.0000 N   0  0
    2.7822   -3.1780    0.0000 C   0  0
    3.7175   -2.0053    0.0000 N   0  0
    3.1695   -0.6090    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 N   0  0
    2.5242    2.0130    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.0000    3.2286    0.0000 O   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.4523    2.0983    0.0000 C   0  0
   -3.8856    1.6561    0.0000 C   0  0
   -4.2194    0.1937    0.0000 C   0  0
   -3.1198   -0.8265    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 N   0  0
   -1.4011   -2.9095    0.0000 C   0  0
   -2.8823   -3.0806    0.0000 C   0  0
   -3.1625   -4.5542    0.0000 C   0  0
   -1.8476   -5.2761    0.0000 C   0  0
   -0.7547   -4.2486    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.2990   -2.9545    0.0000 N   0  0
    0.9077   -5.5197    0.0000 C   0  0
   -0.0316   -6.6892    0.0000 C   0  0
    0.5116   -8.0874    0.0000 C   0  0
    1.9941   -8.3161    0.0000 C   0  0
   -0.4258   -9.2595    0.0000 C   0  0
   -1.9086   -9.0334    0.0000 O   0  0
    0.1197  -10.6577    0.0000 N   0  0
   -0.8155  -11.8305    0.0000 C   0  0
   -0.2675  -13.2268    0.0000 C   0  0
    1.2158  -13.4504    0.0000 C   0  0
    2.1510  -12.2776    0.0000 C   0  0
    1.6030  -10.8813    0.0000 C   0  0
    1.7640  -14.8474    0.0000 N   0  0
    0.8307  -16.0217    0.0000 C   0  0
    1.3809  -17.4172    0.0000 C   0  0
    2.8645  -17.6384    0.0000 N   0  0
    3.4148  -19.0338    0.0000 C   0  0
    3.7979  -16.4641    0.0000 C   0  0
    3.2477  -15.0687    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 22  1  0
 21 27  1  0
 27 10  1  0
 27 28  2  0
 28  7  1  0
  5 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32  4  1  0
 31 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 35  1  0
 38 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 44 46  1  0
 46 47  1  0
 47 41  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15538

> <plate>
PLATE 004

> <well>
A4

> <supplier_cmpd_name>
XMD17-109

> <ctcr_id>
11406

> <supplier_cmpd_id>
T1842

> <smiles>
CCOc1c(Nc2ncc3n(C)c(=O)c4ccccc4n(C4CCCC4)c3n2)ccc(c1)C(=O)N1CCC(CC1)N1CCN(C)CC1

> <pd_targets>
{MAPK7}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase MAPK family","CMGC protein kinase ERK5"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Immune System","Innate Immune System","Toll-like Receptor Cascades","Toll Like Receptor 5 (TLR5) Cascade","MyD88 cascade initiated on plasma membrane","MAP kinase activation","MAPK targets/ Nuclear 
events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{MAPK7}

> <broad_moa>
{"MAP kinase inhibitor"}

> <synonyms>
{MD1710,XMD17-109,XMD17109,1435488-37-1,1435488371,CHEMBL2381340,GTPL9406,SCHEMBL16065687,AOB87761,BCP09844,EX-A2184,EXA2184,BDBM50434070,s7334,ZINC96270216,AKOS025147359,ACN-043338,ACN043338,CCG-2703
11,CCG270311,CS-1436,CS1436,SB19431,"compound 26 (PMID: 24239623)",NCGC00378965-03,NCGC0037896503,BS-15121,BS15121,HY-1566,HY1566,T1842}

> <pdid>
PD012642

> <targets>
{"MAPK Family",ERK5}

> <classes>
{MAPK}

> <pubchem_cids>
{71604307}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    6.4870   -5.2597    0.0000 C   0  0
    6.4915   -3.7597    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 S   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1047   -0.0031    0.0000 C   0  0
   -5.8532   -1.3040    0.0000 N   0  0
   -5.1009   -2.6017    0.0000 C   0  0
   -7.3541   -1.3071    0.0000 C   0  0
   -8.1041   -2.6062    0.0000 N   0  0
   -9.6041   -2.6062    0.0000 C   0  0
  -10.3542   -1.3072    0.0000 C   0  0
   -9.6042   -0.0082    0.0000 C   0  0
   -8.1042   -0.0081    0.0000 N   0  0
  -11.8550   -1.3042    0.0000 C   0  0
  -12.6072   -2.6020    0.0000 O   0  0
  -12.6036   -0.0034    0.0000 N   0  0
  -14.1036   -0.0004    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 11 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 27 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 20 34  2  0
 34 35  1  0
 35 18  1  0
 35 36  2  0
 36  9  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15539

> <plate>
PLATE 004

> <well>
A5

> <supplier_cmpd_name>
CUDC-907

> <ctcr_id>
6846

> <supplier_cmpd_id>
T2078

> <smiles>
COc1ccc(cn1)c2nc(N3CCOCC3)c4sc(CN(C)c5ncc(cn5)C(=O)NO)cc4n2

> <pd_targets>
{HDAC11,HDAC2,HDAC7,HDAC10,HDAC6,PIK3CD,HDAC1,PIK3CB,PIK3CG,PIK3R1,MTOR,HDAC3,PIK3CA,HDAC4,HDAC9,HDAC8,HDAC5,NCOR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Transferase,Kinase,"Histone deacetylase","Protein Kinase","HDAC class IV","HDAC class I","HDAC class IIa","HDAC class IIb","Atypical protein kinase group","Atypic
al protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","3.5.1.- Histone deacetylases (HDACs)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phospha
tidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Immune System","Signal Transduction",Metabolism,"Cell Cycle","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymer
ase II Transcription","Cytokine Signaling in Immune system","Disorders of Developmental Biology","Signaling by Receptor Tyrosine Kinases","Metabolism of lipids",Mitotic,"Signaling by NOTCH1 in Cancer"
,"Generic Transcription Pathway","Signaling by Interleukins","Disorders of Nervous System Development","Signaling by Insulin receptor","Phospholipid metabolism","Signaling by FGFR in disease","M Phase
","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX2",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Pervasive develo
pmental disorders","Insulin receptor signalling cascade","PI Metabolism","Signaling by FGFR1 in disease","Mitotic Metaphase and Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Reg
ulation of TP53 Activity","RUNX2 regulates bone development","Interleukin receptor SHC signaling","Loss of function of MECP2 in Rett syndrome","IRS-mediated signalling","Synthesis of PIPs at the plasm
a membrane","FGFR1 mutant receptor activation","Mitotic Anaphase","Regulation of TP53 Activity through Acetylation","RUNX2 regulates osteoblast differentiation","Loss of MECP2 binding ability to 5mC-D
NA","PI3K Cascade","Regulation of TP53 Expression and Degradation","Loss of MECP2 binding ability to the NCoR/SMRT complex","Signaling by cytosolic FGFR1 fusion mutants","RUNX2 regulates chondrocyte m
aturation","Separation of Sister Chromatids","Regulation of TP53 Degradation"}

> <broad_targets>
{HDAC2,PIK3R1}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{UDC90,QC-11642,QC11642,CUDC-907,CUDC907,1339928-25-4,1339928254,Fimepinostat,"CUDC 907","PI3K/HDAC Inhibitor",UNII-3S9RX35S5X,UNII3S9RX35S5X,3S9RX35S5X,CHEMBL3622533,"Fimepinostat (USAN)","Fimepinost
at (USAN/INN)","PI3K/HDAC Inhibitor centn",MLS006010994,GTPL8952,SCHEMBL1284705,AOB6775,T2078,S2759}

> <pdid>
PD010586

> <targets>
{PI3K,HDAC,Apoptosis}

> <classes>
{Cytoskeletal Signaling,Apoptosis,Cell Cycle/DNA Damage,Epigenetics,PI3K/Akt/mTOR}

> <pubchem_cids>
{54575456}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 36 42  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -3.8990   -0.7525    0.0000 C   0  0
   -4.2128    0.7135    0.0000 C   0  0
   -5.7049    0.8679    0.0000 C   0  0
   -6.3128   -0.5034    0.0000 N   0  0
   -1.2962   -3.7484    0.0000 F   0  0
    0.3114    2.9665    0.0000 C   0  0
    1.8032    3.1233    0.0000 C   0  0
    2.4133    1.7530    0.0000 S   0  0
    2.5550    4.4193    0.0000 C   0  0
    4.0558    4.4171    0.0000 N   0  0
    4.8104    5.7135    0.0000 C   0  0
    6.3104    5.7083    0.0000 C   0  0
    7.0559    4.4067    0.0000 N   0  0
    6.3014    3.1102    0.0000 C   0  0
    4.8014    3.1155    0.0000 C   0  0
    8.5567    4.3984    0.0000 C   0  0
    9.3008    3.0950    0.0000 C   0  0
   10.5494    2.4154    0.0000 C   0  0
    9.2451    1.6745    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    3.8991   -0.7525    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  1  0
  8 16  1  0
  3 17  1  0
 17 18  2  0
 18 19  1  0
 19  2  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 28  1  0
  1 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 31  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15540

> <plate>
PLATE 004

> <well>
A6

> <supplier_cmpd_name>
PI3065

> <ctcr_id>
11407

> <supplier_cmpd_id>
T2083

> <smiles>
c1(c2c(nc(n1)c1c(ccc3c1cc[nH]3)F)cc(s2)CN1CCN(CC1)CC1CC1)N1CCOCC1

> <pd_targets>
{PIK3CA,PIK3R1,PIK3CB,PIK3CD}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","Signaling by Insulin receptor","Signaling by Interleukins","Insulin receptor sign
alling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","IRS-mediated signalling","Interleukin receptor SHC signaling","PI3K Cascade"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{PI-3065,PI3065,955977-50-1,955977501,"PI 3065",CHEMBL4450504,GTPL8242,SCHEMBL2468696,EX-A531,EXA531,AOB87791,BCP12801,BDBM50507818,MFCD28167771,s7623,AKOS025404833,ZINC144899724,CCG-269751,CCG269751,
LM-3414,LM3414,PI-3065|PI3065,PI3065|PI3065,NCGC00386429-03,NCGC0038642903,AC-30278,AC30278,AK174780,AS-55952,AS55952,DA-40130,DA40130,H,T2083}

> <pdid>
PD013000

> <targets>
{PI3K,DNA-PK,mTOR,p110¦Á,p110¦Â,p110¦Ä}

> <classes>
{"DNA Damage/DNA Repair","PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{24937012}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 O   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4811    5.2598    0.0000 N   0  0
   -5.1777    6.0039    0.0000 C   0  0
   -3.8826    5.2472    0.0000 O   0  0
   -5.1695    7.5047    0.0000 N   0  0
   -3.8661    8.2488    0.0000 C   0  0
   -3.7179    9.7286    0.0000 C   0  0
   -2.2486   10.0303    0.0000 C   0  0
   -1.5076    8.7261    0.0000 O   0  0
   -2.5190    7.6184    0.0000 N   0  0
   -1.6297   11.3948    0.0000 C   0  0
   -0.1369   11.5408    0.0000 C   0  0
   -0.7567   10.1750    0.0000 C   0  0
   -2.5027   12.6156    0.0000 C   0  0
   -1.8831   13.9817    0.0000 F   0  0
   -3.9956   12.4696    0.0000 F   0  0
   -3.3758   13.8354    0.0000 F   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 20  2  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 15 32  2  0
 32 11  1  0
  9 33  2  0
 33  5  1  0
 33 34  1  0
 34 35  2  0
 35  3  1  0
 35 36  1  0
 36 37  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15541

> <plate>
PLATE 004

> <well>
A7

> <supplier_cmpd_name>
CEP-32496

> <ctcr_id>
6980

> <supplier_cmpd_id>
T2070

> <smiles>
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC

> <pd_targets>
{BRAF,CYP2C19,SMO,RAF1,ABL1,MAP2K1,EGFR,JAK2,KDR,PDGFRB,EPHA2,MET,CSF1R,KIT,MAP2K2,LCK,RET}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Kinase,"Cytochrome P450","Frizzled family G protein-coupled receptor","Protein Kinase","Cytochrome P450 family 2","Smoothened receptor (frizzled family GPCR)","TKL protein 
kinase group","Cytochrome P450 family 2C","TK protein kinase group","STE protein kinase group","TKL protein kinase RAF family","Cytochrome P450 2C19","Tyrosine protein kinase Abl family","STE protein 
kinase STE7 family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase JakA family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase E
ph family","Tyrosine protein kinase Met family","Tyrosine protein kinase Src family","Tyrosine protein kinase Ret family"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Cytochrome P450","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CYP2 family: drug metabolising subset","Class Frizzled GPCRs","STE: 
Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","STE7 family","RAF family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine k
inases (RTKs)","Abl family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Janus kinase (JakA) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type I
II RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIII RTKs: Ephrin receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Src family","Type XIV RTKs: RET"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Organelle biogenesis and maintenance",Disease,"Cell Cycle","Developmental Biology","Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","Biolog
ical oxidations","Cilium Assembly","MAPK family signaling cascades","Infectious disease","Signaling by GPCR",Mitotic,"Intracellular signaling by second messengers","Nervous system development","RNA Po
lymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by NTRKs","Phase I - Functionalization of compounds","Cargo trafficking to the 
periciliary membrane","MAPK1/MAPK3 signaling","Leishmania infection","GPCR downstream signalling","Mitotic G1 phase and G1/S transition","Signaling by VEGF","PIP3 activates AKT signaling","Axon guidan
ce","Generic Transcription Pathway","Signaling by KIT in disease","HIV Infection","Signaling by NTRK1 (TRKA)","Cytochrome P450 - arranged by substrate type","BBSome-mediated cargo-targeting to cilium"
,"RAF/MAP kinase cascade","Parasite infection","G alpha (q) signalling events","G1 Phase","VEGFA-VEGFR2 Pathway","Negative regulation of the PI3K/AKT network","EPH-Ephrin signaling","Semaphorin intera
ctions","Transcriptional Regulation by VENTX","Drug resistance of KIT mutants","Host Interactions of HIV factors","RET signaling","Signalling to ERKs",Xenobiotics,"Negative regulation of MAPK pathway"
,"Leishmania phagocytosis","Gastrin-CREB signalling pathway via PKC and MAPK","Cyclin D associated events in G1","VEGFR2 mediated cell proliferation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","
EPHA-mediated growth cone collapse","Sema4D in semaphorin signaling","Dasatinib-resistant KIT mutants","The role of Nef in HIV-1 replication and disease pathogenesis","Prolonged ERK activation events"
,"CYP2E1 reactions","Negative feedback regulation of MAPK pathway","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","Sema4D mediated inhibition of cell attachment and migration","Nef-m
ediates down modulation of cell surface receptors by recruiting them to clathrin adapters","ARMS-mediated activation","Frs2-mediated activation","Nef Mediated CD4 Down-regulation"}

> <broad_targets>
{BRAF,RAF1}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{EP3249,CEP-32496,CEP32496,1188910-76-0,1188910760,Agerafenib,"CEP 32496",RXDX-105,RXDX105,UNII-78I4VEX88N,UNII78I4VEX88N,"1188910-76-0 (free base)","1188910760 (free base)",78I4VEX88N,CHEMBL2029988,"
RXDX-105 (CEP-32496)","RXDX105 (CEP32496)","Rxdx 105","CEP-32496 free base","CEP32496 free base","CEP-32496 (free base)","CEP32496 (free base)",GTPL7880,SCHEMBL1015932,HMS3653J1,T2070,S8015}

> <pdid>
PD010266

> <targets>
{Raf,CSF-1R}

> <classes>
{MAPK,MAPK/ERK Pathway}

> <pubchem_cids>
{56846693}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 35 38  0  0  1  0            999 V2000
    7.7054  -12.2661    0.0000 C   0  0
    7.2024  -10.8529    0.0000 N   0  0
    8.1745   -9.7095    0.0000 C   0  0  2  0  0  0
    7.6712   -8.2956    0.0000 C   0  0
    6.6876   -8.1152    0.0000 O   0  0
    8.6433   -7.1521    0.0000 N   0  0
    8.1401   -5.7382    0.0000 C   0  0  2  0  0  0
    6.6632   -5.4705    0.0000 C   0  0
    6.1574   -4.0584    0.0000 O   0  0
    5.6940   -6.6129    0.0000 N   0  0
    4.2151   -6.5101    0.0000 C   0  0  1  0  0  0
    3.6205   -7.8744    0.0000 C   0  0
    4.7579   -8.8522    0.0000 C   0  0
    6.0394   -8.0726    0.0000 C   0  0
    3.3372   -5.2929    0.0000 C   0  0
    3.8056   -3.8679    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.3786   -3.8595    0.0000 C   0  0
    1.8372   -5.2877    0.0000 S   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
    9.1109   -4.5936    0.0000 C   0  0
    8.6095   -3.1800    0.0000 C   0  0
    9.5830   -2.0388    0.0000 C   0  0
   11.0580   -2.3113    0.0000 C   0  0
   11.5595   -3.7250    0.0000 C   0  0
   10.5860   -4.8662    0.0000 C   0  0
    9.6499   -9.9800    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 10  1  0
 11 15  1  1
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 15  1  0
 17 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 25 28  1  0
  7 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 29  1  0
  3 35  1  6
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15542

> <plate>
PLATE 004

> <well>
A8

> <supplier_cmpd_name>
LCL161

> <ctcr_id>
11408

> <supplier_cmpd_id>
T2080

> <smiles>
CN[C@H](C(=O)N[C@H](C(=O)N1[C@@H](CCC1)c1nc(cs1)C(=O)c1ccc(cc1)F)C1CCCCC1)C

> <pd_targets>
{XIAP,BIRC2,BIRC3}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme}

> <pathway_chembl>
{"Other protein targets","Inhibitors of apoptosis (IAP) protein family"}

> <pathway_reactome>
{"Programmed Cell Death","Immune System",Apoptosis,"Innate Immune System","Intrinsic Pathway for Apoptosis","Toll-like Receptor Cascades","Apoptotic factor-mediated response","Toll Like Receptor 4 (TL
R4) Cascade","Cytochrome c-mediated apoptotic response","MyD88-independent TLR4 cascade","Formation of apoptosome","TRIF(TICAM1)-mediated TLR4 signaling","Regulation of the apoptosome activity","IKK c
omplex recruitment mediated by RIP1"}

> <broad_targets>
{BIRC2,XIAP}

> <broad_moa>
{"XIAP inhibitor"}

> <synonyms>
{LCL161,1005342-46-0,1005342460,LCL-161,"LCL 161",UNII-6TNS415Y3P,UNII6TNS415Y3P,6TNS415Y3P,CHEMBL2431768,NVP-LCL161,NVPLCL161,C26H33FN4O3S,GTPL7912,SCHEMBL1275369,AOB4073,EX-A533,EXA533,2508AH,BDBM50
441356,MFCD23160049,NSC772868,s7009,ZINC95929260,CCG-269696,CCG269696,CS-1630,CS1630,DB12085,NSC-772868,SB193,T2080}

> <pdid>
PD012566

> <targets>
{cIAP}

> <classes>
{Apoptosis}

> <pubchem_cids>
{24737642}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -3.8805   -1.4410    0.0000 O   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -2.5536   -4.4230    0.0000 C   0  0
   -1.7031   -5.6606    0.0000 C   0  0
   -2.3532   -7.0124    0.0000 C   0  0
   -3.8489   -7.1253    0.0000 C   0  0
   -4.4991   -8.4771    0.0000 O   0  0
   -4.6946   -5.8864    0.0000 N   0  0
   -4.0444   -4.5346    0.0000 C   0  0
   -4.8897   -3.2954    0.0000 O   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.6924   -4.0811    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 10  1  0
 16 17  2  0
  9 18  1  0
 18 19  2  0
 18 20  1  0
 20  2  1  0
 20  6  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15543

> <plate>
PLATE 004

> <well>
A9

> <supplier_cmpd_name>
Pomalidomide

> <ctcr_id>
686

> <supplier_cmpd_id>
T2384

> <smiles>
Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12

> <pd_targets>
{GAPC,IL1B,CRBN,IL6,MDC1,TNF,CSF2,CCL3,IKZF3,IKZF1,CUL4A,DDB1,RBX1,PTGS2}

> <pathway_gtopdb>
{Enzyme,"Secreted protein","Unclassified protein",Oxidoreductase}

> <pathway_chembl>
{Enzymes,"E3 ubiquitin ligase components","Eicosanoid turnover",Cyclooxygenase}

> <pathway_reactome>
{Disease,"DNA Repair","Immune System","Gene expression (Transcription)","Signal Transduction",Metabolism,"Infectious disease","DNA Double-Strand Break Repair","Cytokine Signaling in Immune system","RN
A Polymerase II Transcription","Signaling by GPCR","Metabolism of lipids","Leishmania infection","SARS-CoV Infections","Homology Directed Repair","Signaling by Interleukins","Generic Transcription Pat
hway","GPCR ligand binding","Biosynthesis of specialized proresolving mediators (SPMs)","Cell recruitment (pro-inflammatory response)","Potential therapeutics for SARS","Leishmania parasite growth and
 survival","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Interleukin-10 signaling","Transcriptional regulation by RUNX1","Class A/1 (Rhodopsin-like receptors)","Biosyn
thesis of DPA-derived SPMs","Purinergic signaling in leishmaniasis infection","Anti-inflammatory response favouring Leishmania parasite infection","Processing of DNA double-strand break ends","RUNX1 r
egulates transcription of genes involved in differentiation of myeloid cells","Peptide ligand-binding receptors","Biosynthesis of DPAn-3 SPMs","ADORA2B mediated anti-inflammatory cytokines production"
,"Chemokine receptors bind chemokines"}

> <broad_targets>
{}

> <broad_moa>
{"angiogenesis inhibitor","tumor necrosis factor production inhibitor"}

> <synonyms>
{C404,Pomalidomide,19171-19-8,19171198,"4-amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione","4amino2(2,6dioxopiperidin3yl)isoindoline1,3dione",Actimid,CC-4047,CC4047,Pomalyst,Imnovid,"4-Amino-2-
(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione","4Amino2(2,6dioxo3piperidyl)isoindoline1,3dione",4-Aminothalidomide,4Aminothalidomide,"Pomalidomide (CC-4047)","Pomalidomide (CC4047)",3-Amino-N-(2,3Amino
N(2,6-dioxo-3-piperi,6dioxo3piperi,T2384,775351,S1567}

> <pdid>
PD004117

> <targets>
{TNF-alpha,COX,Apoptosis,Ligand for E3 Ligase}

> <classes>
{Apoptosis,PROTAC}

> <pubchem_cids>
{134780}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 26  0  0  0  0            999 V2000
   -0.2237   -5.5078    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    4.9619   -2.4739    0.0000 C   0  0
    6.4015   -2.0524    0.0000 C   0  0
    6.7561   -0.5949    0.0000 C   0  0
    8.0760    0.1161    0.0000 O   0  0
    7.8072    1.5919    0.0000 C   0  0
    8.8431    2.6767    0.0000 N   0  0
    6.3207    1.7923    0.0000 N   0  0
    5.6713    0.4410    0.0000 C   0  0
    4.2318    0.0194    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 10  1  0
 15 16  2  0
 16  7  1  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23  4  1  0
 23 17  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15544

> <plate>
PLATE 004

> <well>
A10

> <supplier_cmpd_name>
INK 128

> <ctcr_id>
2906

> <supplier_cmpd_id>
T1838

> <smiles>
CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)ncnc14

> <pd_targets>
{PIK3CD,MTOR,PIK3CA,PIK3C3,PIK3CB,PIK3CG,MLST8,RPTOR,MAPKAP1,RICTOR}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Phosphatidyl
inositol 3-kinase family","FRAP subfamily"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)",Disease,"Signal Transduction",Metabolism,"Cytokine Signaling in Immune system","RNA Polymerase II Transcription","Diseases of signal transduction by 
growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","Signaling by Interleukins","Generic Transcription Pathway","Signaling by FGFR in disease
","Signaling by Insulin receptor","Phospholipid metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Transcriptional Regulation by TP53","Signaling by FGFR1 in disease","Insulin receptor si
gnalling cascade","PI Metabolism","Interleukin receptor SHC signaling","Regulation of TP53 Activity","FGFR1 mutant receptor activation","IRS-mediated signalling","Synthesis of PIPs at the plasma membr
ane","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR,PIK3CA,PIK3CD,PIK3CG}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{1224844-38-5,1224844385,Sapanisertib,INK-128,INK128,MLN0128,"INK 128","INK 128 (MLN0128)",TAK-228,TAK228,MLN-0128,UNII-JGH0DF1U03,UNIIJGH0DF1U03,"Sapanisertib (MLN0128)",JGH0DF1U03,C15H15N7O,"Sapanis
ertib; INK128","Sapanisertib (USAN/INN)","Sapanisertib (USAN:INN)",MLS006011012,T1838,S2811}

> <pdid>
PD010560

> <targets>
{mTOR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{45375953}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 I   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -2.6044    2.9986    0.0000 C   0  0
   -3.9039    3.7478    0.0000 C   0  0
   -3.9049    5.2478    0.0000 C   0  0
   -2.6064    5.9986    0.0000 C   0  0
   -1.3068    5.2495    0.0000 C   0  0
   -0.0060    5.9981    0.0000 N   0  0
    1.2932    5.2467    0.0000 C   0  0
    1.2915    3.7467    0.0000 O   0  0
    2.5940    5.9953    0.0000 N   0  0
    3.9458    5.3752    0.0000 C   0  0
    4.9487    6.4905    0.0000 C   0  0
    4.1979    7.7891    0.0000 C   0  0
    2.7309    7.4763    0.0000 C   0  0
   -1.3058    3.7495    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.9117   -8.2482    0.0000 C   0  0
   -5.2094   -7.4959    0.0000 O   0  0
   -3.9148   -9.7490    0.0000 C   0  0
   -5.1283  -10.6088    0.0000 S   0  0
   -4.6648  -12.0354    0.0000 C   0  0
   -3.1648  -12.0354    0.0000 C   0  0
   -2.7012  -10.6088    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 15  1  0
 11 20  2  0
 20  7  1  0
  5 21  1  0
 21 22  2  0
 22  2  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 30  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15545

> <plate>
PLATE 004

> <well>
A11

> <supplier_cmpd_name>
BX795

> <ctcr_id>
5248

> <supplier_cmpd_id>
T1830

> <smiles>
Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c4sccc4

> <pd_targets>
{IKBKE,PDPK1,GSK3B,CHEK1,KDR,CDK2,TBK1,PRKACA,PRKACB,PRKACG,PRKAR1A,PRKAR1B,PRKAR2A,PRKAR2B,PDK1,CGAS,ULK1,ULK2}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","Other protein kinase group","AGC protein kinase group","CMGC protein kinase group","CAMK protein kinase group","TK protein kinase group","Atypical protein 
kinase group","AGC protein kinase PDK1 subfamily","CMGC protein kinase GSK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase VEGFR family","CMGC protein kinase CDK family","Other pro
tein kinase IKK family","Atypical protein kinase PDHK subfamily","Other protein kinase ULK family","CAMK protein kinase CHK1 subfamily","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Cyclic nucleotide turnover/signalling","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CL
K families","CAMK: Calcium/calmodulin-dependent protein kinases",Atypical,"Cyclic GMP-AMP synthase","Other protein kinases","PDK1 family","Glycogen synthase kinase (GSK) family","CAMK-like (CAMKL) fam
ily","TK: Tyrosine kinase","Cyclin-dependent kinase (CDK) family","Protein kinase A (PKA) family","PDHK family","IKK family","GSK subfamily","CHK1 subfamily","Receptor tyrosine kinases (RTKs)","CDK1 s
ubfamily","Unc-51-like kinase (ULK) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)",Disease,"DNA Repair","Signal Transduction",Metabolism,Autophagy,"Innate Immune System","RNA Polymerase II Transcription","Infectious disease","DNA Do
uble-Strand Break Repair","Signaling by Receptor Tyrosine Kinases","The citric acid (TCA) cycle and respiratory electron transport",Macroautophagy,"Toll-like Receptor Cascades","Generic Transcription 
Pathway","SARS-CoV Infections","Homology Directed Repair","Signaling by VEGF","Pyruvate metabolism and Citric Acid (TCA) cycle","Cytosolic sensors of pathogen-associated DNA","Selective autophagy","To
ll Like Receptor 4 (TLR4) Cascade","Transcriptional Regulation by TP53","SARS-CoV-1 Infection","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","VEGFA-VEGFR2 Pathway","Pyr
uvate metabolism","STING mediated induction of host immune responses",Mitophagy,"MyD88-independent TLR4 cascade","Regulation of TP53 Activity","SARS-CoV-1 Genome Replication and Transcription","HDR th
rough Homologous Recombination (HRR)","VEGFR2 mediated cell proliferation","Regulation of pyruvate dehydrogenase (PDH) complex","Receptor Mediated Mitophagy","TRIF(TICAM1)-mediated TLR4 signaling","Re
gulation of TP53 Expression and Degradation","Replication of the SARS-CoV-1 genome","Homologous DNA Pairing and Strand Exchange","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Regulation of T
P53 Degradation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{CDK2,CHEK1,GSK3B,KDR,PDK1,PDPK1}

> <broad_moa>
{"IKK inhibitor"}

> <synonyms>
{702675-74-9,702675749,BX795,BX-795,"BX 795",C23H26IN7O2S,BX7,"BX-795 hydrochloride","BX795 hydrochloride",cc-617,cc617,MLS006011190,CHEMBL577784,GTPL8006,SCHEMBL3865995,BDBM17051,CHEBI:91439,AOB2187,
DTXSID50435186,EX-A262,EXA262,SYN1026,BCPP000310,HMS3244G15,HMS3244G16,HMS3244H15,HMS3651A07,HM,T1830,SY-BX795}

> <pdid>
PD011033

> <targets>
{PDK1 TBK1,PDK1/TBK1,Autophagy,IKK,PDK-1}

> <classes>
{Autophagy,NF-ºB,PI3K/Akt/mTOR}

> <pubchem_cids>
{10077147}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Br  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -7.8010    1.4796    0.0000 N   0  0
   -9.0971    0.7229    0.0000 C   0  0
   -9.0893   -0.7771    0.0000 O   0  0
  -10.4010    1.4661    0.0000 N   0  0
  -11.7502    0.8404    0.0000 C   0  0
  -12.7578    1.9516    0.0000 C   0  0
  -12.0123    3.2533    0.0000 C   0  0
  -10.5440    2.9465    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.7508   -7.4791    0.0000 C   0  0
   -4.2191   -7.7859    0.0000 N   0  0
   -4.9646   -6.4843    0.0000 C   0  0
   -3.9570   -5.3730    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 13  1  0
  9 18  2  0
 18 19  1  0
 19 20  2  0
 20  7  1  0
  5 21  1  0
 21 22  2  0
 22  2  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 26  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15546

> <plate>
PLATE 004

> <well>
B2

> <supplier_cmpd_name>
BX912

> <ctcr_id>
11409

> <supplier_cmpd_id>
T1837

> <smiles>
Brc1cnc(Nc2cc(NC(=O)N3CCCC3)ccc2)nc1NCCc1cnc[nH]1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{CDK2,CHEK1,GSK3B,KDR,PDK1,PDPK1}

> <broad_moa>
{"pyruvate dehydrogenase kinase inhibitor"}

> <synonyms>
{BRD-K49669041-001-01-9,BRDK49669041001019,Q27075611,BX-912,BX912,702674-56-4,702674564,"BX 912",C20H23BrN8O,"CID 11754511",cc-391,cc391,MLS006011015,GTPL8007,SCHEMBL3869633,CHEMBL3916849,SCHEMBL15825
412,BDBM17052,CHEBI:91357,AOB2905,DTXSID30471901,EX-A945,EXA945,SYN1027,BCPP000309,HMS3244G1,T1837}

> <pdid>

> <targets>
{CDK2/CyclinE,Chk1,PDK1,PKA,VEGFR2?(KDR)}

> <classes>
{Angiogenesis,"Cell Cycle/Checkpoint","GPCR/G Protein","PI3K/Akt/mTOR signaling","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{11754511}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 N   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.8193    4.6606    0.0000 C   0  0
   -4.0353    5.9336    0.0000 C   0  0
   -4.7489    7.2530    0.0000 C   0  0
   -6.2483    7.2947    0.0000 N   0  0
   -7.0341    6.0170    0.0000 C   0  0
   -6.3205    4.6976    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 N   0  0
   -6.4469    1.8311    0.0000 C   0  0
   -7.4153    2.9701    0.0000 C   0  0
   -8.8906    2.6991    0.0000 C   0  0
   -9.3937    1.2860    0.0000 C   0  0
  -10.8690    1.0150    0.0000 F   0  0
   -8.4213    0.1438    0.0000 C   0  0
   -6.9460    0.4147    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 10 17  2  0
 17 18  1  0
 18  8  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15547

> <plate>
PLATE 004

> <well>
B3

> <supplier_cmpd_name>
SB202190

> <ctcr_id>
90

> <supplier_cmpd_id>
T2301

> <smiles>
Oc1ccc(cc1)c2[nH]c(c3ccncc3)c(n2)c4ccc(F)cc4

> <pd_targets>
{EGFR,MAPK11,MAPK14,ALDH1A1,HPGD,CYP2C9,CSNK1A1,MAPK10,RIPK2,TNIK,LEF,AMPC,BRD4,BRDT,TUBA1A,PRKACA,MAPK8,BRAF,CIT,CSNK1E,MAPK12,RPS6KA1,MAPK1,ACVR1B,GSK3B,MAPK9,RAF1,GAK,PRKACB,MAP2K2,ACVR2B,COQ8B,TSH
R,ROS1,HSD17B10,KDM4E,FRK,STK36,PTK6,MAPT,BLM,TTK,CYP2C19,THPO,CDC42BPG,EPHA7,RPS6KA6,STK32B,HTR2A,ERBB4,CSNK1A1L,NTRK3,CYP2D6,CYP3A4,LATS2,IGF1R,DDR1,DDR2,SLK,NLK,CSNK1D,NTRK2,GMNN,CYP1A2,TTBK1,LMNA,
NFKB1,EPHA6,MAPK13,CDC42BPB,TTBK2,ALOX5,CLK4,PRKD3,NFO,PMP22,ALOX15,MAP4K4,GCGR,TYR}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Structural protein","Membrane receptor","Other cytosolic protein","Unclassified protein","Other nuclear protein",Kinase,Oxidoreductase,"Cytochrome P450",Protease,Hydrol
ase,Reader,"Family A G protein-coupled receptor",Eraser,"Family B G protein-coupled receptor","Protein Kinase","Cytochrome P450 family 2","Metallo protease",Bromodomain,"Peptide receptor (family A GPC
R)","Lysine demethylase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 1","Peptide receptor (family B GPCR)","TK protein kinase group","CMGC protein kina
se group","Cytochrome P450 family 2C","CK1 protein kinase group","TKL protein kinase group","STE protein kinase group","Metallo protease MAE clan","AGC protein kinase group","Other protein kinase grou
p","Atypical protein kinase group","Glycohormone receptor","Jumonji domain-containing","Monoamine receptor","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Cytochrome P450 family 1A","CAMK pr
otein kinase group","Glucagon-like receptor","Tyrosine protein kinase EGFR family","CMGC protein kinase MAPK family","Cytochrome P450 2C9","CK1 protein kinase CK1 family","TKL protein kinase RIPK fami
ly","STE protein kinase STE20 family","Metallo protease M34 family","AGC protein kinase PKA family","TKL protein kinase RAF family","AGC protein kinase DMPK family","AGC protein kinase RSK family","TK
L protein kinase STKR family","CMGC protein kinase GSK family","Other protein kinase NAK family","STE protein kinase STE7 family","Atypical protein kinase ABC1 family","Tyrosine protein kinase Sev fam
ily","Tyrosine protein kinase Src family","Other protein kinase ULK family","Other protein kinase TTK family","Cytochrome P450 2C19","Tyrosine protein kinase Eph family","AGC protein kinase YANK famil
y","Serotonin receptor","Tyrosine protein kinase Trk family","Cytochrome P450 2D6","Cytochrome P450 3A4","AGC protein kinase NDR family","Tyrosine protein kinase InsR family","Tyrosine protein kinase 
DDR family","Cytochrome P450 1A1","CMGC protein kinase CLK family","CAMK protein kinase PKD family","Glucagon receptor","CMGC protein kinase p38 subfamily","CMGC protein kinase JNK subfamily","STE pro
tein kinase MSN subfamily","AGC protein kinase CRIK subfamily","AGC protein kinase RSK subfamily","CMGC protein kinase ERK1","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase STKR Type 2 
subfamily","Atypical protein kinase ABC1-A subfamily","AGC protein kinase GEK subfamily","CK1 protein kinase CK1-a","STE protein kinase SLK subfamily","CMGC protein kinase nmo subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Catalytic receptors","Kinases (EC 2.7.x.x)","Eicosanoid turnover","Cytochrome P450","Chromatin modifying enzymes","Bromodomain-containing proteins",Tubulins
,"G protein-coupled receptors","1.-.-.- Oxidoreductases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Prostaglandin synthases","CYP2 family: drug metabolising subset","CK1: Case
in kinase 1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Enzymatic bromodomain-containing proteins","Non-enzymatic BRD containing proteins","AGC: Containing PKA",PKG,"PKC fam
ilies",Atypical,"Glycoprotein hormone receptors","1.14.11.- Histone demethylases","5-Hydroxytryptamine receptors","CYP3 family","CYP1 family",Lipoxygenases,"CAMK: Calcium/calmodulin-dependent protein 
kinases","Glucagon receptor family","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Casein kinase 1 (CK1) family","TKL: Tyrosine kinase-like","STE20 family","Bromodomain kinas
e (BRDK) family","Protein kinase A (PKA) family","DMPK family","RSK family","Glycogen synthase kinase (GSK) family","Other protein kinases","STE7 family","ABC1 family","YANK family","NDR family","Tau 
tubulin kinase (TTBK) family","CLK family","Protein kinase D (PKD) family","Receptor tyrosine kinases (RTKs)","p38 subfamily","JNK subfamily","Receptor interacting protein kinase (RIPK) family","MSN s
ubfamily","RAF family","Other DMPK family kinases","RSK subfamily","ERK subfamily","Receptor serine/threonine kinase (RSTK) family","GSK subfamily","Numb-associated kinase (NAK) family","ABC1-B subfam
ily","Non-receptor tyrosine kinases (nRTKs)","Unc-51-like kinase (ULK) family","TTK family","GEK subfamily","SLK subfamily","nmo subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family
","Type I receptor serine/threonine kinases","Type II receptor serine/threonine kinases","Type XVII RTKs: ROS receptors","Src family","Type XIII RTKs: Ephrin receptor family","Type VII RTKs: Neurotrop
hin receptor/Trk family","Type II RTKs: Insulin receptor family","Type XVI RTKs: DDR (collagen receptor) family"}

> <pathway_reactome>
{"Signal Transduction","Immune System",Metabolism,Disease,"Cellular responses to external stimuli","Cell Cycle","Developmental Biology","Vesicle-mediated transport","Neuronal System","DNA Repair",Hemo
stasis,"Extracellular matrix organization","Organelle biogenesis and maintenance","Signaling by GPCR","Innate Immune System","Biological oxidations","Metabolism of lipids","Diseases of signal transduc
tion by growth factor receptors and second messengers","Cellular responses to stress","Infectious disease",Mitotic,"Signaling by Receptor Tyrosine Kinases","Signaling by Rho GTPases","Signaling by NOD
AL","MAPK family signaling cascades","Membrane Trafficking","Intracellular signaling by second messengers","Metabolism of amino acids and derivatives","Transmission across Chemical Synapses","DNA Doub
le-Strand Break Repair","Platelet activation","signaling and aggregation","Nervous system development","Signaling by Hippo","Non-integrin membrane-ECM interactions","Signaling by WNT","Cytokine Signal
ing in Immune system","Cilium Assembly","GPCR downstream signalling","Toll-like Receptor Cascades","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)
","Signaling by WNT in cancer","Cellular Senescence","Uptake and actions of bacterial toxins","SARS-CoV Infections","Mitotic G2-G2/M phases","Signaling by NTRKs","RHO GTPase Effectors","Regulation of 
signaling by NODAL","MAPK1/MAPK3 signaling","trans-Golgi Network Vesicle Budding","DAG and IP3 signaling","Leishmania infection","Branched-chain amino acid catabolism","PIP3 activates AKT signaling","
Mitotic G1 phase and G1/S transition","Neurotransmitter receptors and postsynaptic signal transmission","Homology Directed Repair","Platelet Aggregation (Plug Formation)","Axon guidance","GPCR ligand 
binding","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Beta-catenin independent WNT signaling","M Phase","Signaling by Interleukins","Anchoring of the basal body to the plasma m
embrane","Sphingolipid metabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Melanin biosynthesis","G alpha (q) signalling events","Toll Like Receptor 5 (TLR5) Cascade","Ethano
l oxidation","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Signaling by AMER1 mutants","Oxidative Stress Induced Senescence","Uptake and function of anthrax toxins
","Potential therapeutics for SARS","G2/M Transition","Signaling by NTRK1 (TRKA)","RHO GTPases activate CIT","SARS-CoV-1 Infection","RAF/MAP kinase cascade","Golgi Associated Vesicle Biogenesis","CaM 
pathway","Leishmania parasite growth and survival","PTEN Regulation","G1 Phase","Activation of NMDA receptors and postsynaptic events","HDR through Homologous Recombination (HRR) or Single Strand Anne
aling (SSA)","EPH-Ephrin signaling","Class A/1 (Rhodopsin-like receptors)","Signaling by NTRK3 (TRKC)","IGF1R signaling cascade","Ca2+ pathway","G1/S Transition","Mitotic Metaphase and Anaphase","Inte
rleukin-1 family signaling","Biosynthesis of DPA-derived SPMs","Sphingolipid de novo biosynthesis","Gastrin-CREB signalling pathway via PKC and MAPK","MyD88 cascade initiated on plasma membrane","Bios
ynthesis of D-series resolvins",Xenobiotics,"Truncations of AMER1 destabilize the destruction complex","Centrosome maturation","Signalling to ERKs","SARS-CoV-1 Genome Replication and Transcription","N
egative regulation of MAPK pathway","Calmodulin induced events","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of PTEN stability and activity","Cyclin D associated ev
ents in G1","Post NMDA receptor activation events","HDR through Homologous Recombination (HRR)","EPHA-mediated growth cone collapse","Amine ligand-binding receptors","Activated NTRK3 signals through P
I3K","Biosynthesis of maresins","IRS-related events triggered by IGF1R","Activation of TRKA receptors","Activation of the pre-replicative complex","Mitotic Anaphase","Interleukin-1 signaling","Biosynt
hesis of DPAn-3 SPMs","EGFR Transactivation by Gastrin","MAP kinase activation","CYP2E1 reactions","Loss of proteins required for interphase microtubule organization from the centrosome","Prolonged ER
K activation events","Signalling to RAS","Replication of the SARS-CoV-1 genome","Negative feedback regulation of MAPK pathway","PKA-mediated phosphorylation of CREB","ADORA2B mediated anti-inflammator
y cytokines production","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Serot
onin receptors","Long-term potentiation","Biosynthesis of maresin-like SPMs","NGF-independant TRKA activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE)
 Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived 13-series resolvins","Biosynthesis of DPAn-3-derived protectins and resolvins","MAPK targets/ Nuclear events m
ediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","Loss of Nlp from mitotic centrosomes","ARMS-mediated activation","p38MAPK events","PKA activation","Frs2-mediated activation","Pr
esynaptic phase of homologous DNA pairing and strand exchange","RSK activation","Initiation of Nuclear Envelope (NE) Reformation","Activation of the AP-1 family of transcription factors","CREB phospho
rylation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{AKT1,ALOX5,CHEK1,GSK3B,LCK,MAPK1,MAPK11,MAPK12,MAPK14,MAPK8,PRKCA,ROCK1,RPS6KB1,SGK1}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{"SB 202190",152121-30-7,152121307,SB-202190,SB202190,FHPI,"SB202190 (FHPI)",4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)-1H-imidazole,4(4Fluorophenyl)2(4hydroxyphenyl)5(4pyridyl)1Himidazole,U
NII-PVX798P8GI,UNIIPVX798P8GI,4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole,4(4fluorophenyl)2(4hydroxyphenyl)5(4pyridyl)imidazole,CHEBI:79090,4-(4-(4-fluorophenyl),4(4(4fluorophenyl),T
2301,"EMD 559388",1264,EI-294,S1077,559388}

> <pdid>
PD002796

> <targets>
{"p38 MAPK"}

> <classes>
{}

> <pubchem_cids>
{5169}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    3.2256   -4.6869    0.0000 C   0  0
    2.7071   -3.2793    0.0000 O   0  0
    3.6667   -2.1252    0.0000 C   0  0
    5.1442   -2.3838    0.0000 C   0  0
    6.1069   -1.2335    0.0000 C   0  0
    5.5920    0.1754    0.0000 C   0  0
    4.1145    0.4339    0.0000 C   0  0
    3.6002    1.8430    0.0000 F   0  0
    3.1484   -0.7186    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 N   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.4523    2.0983    0.0000 C   0  0
   -3.8856    1.6561    0.0000 N   0  0
   -4.2194    0.1937    0.0000 C   0  0
   -5.6526   -0.2516    0.0000 N   0  0
   -5.9845   -1.7153    0.0000 C   0  0
   -7.4163   -2.1625    0.0000 C   0  0
   -7.7450   -3.6260    0.0000 C   0  0
   -6.6419   -4.6424    0.0000 C   0  0
   -6.9738   -6.1061    0.0000 C   0  0
   -5.8725   -7.1245    0.0000 O   0  0
   -8.4063   -6.5512    0.0000 O   0  0
   -5.2101   -4.1953    0.0000 C   0  0
   -4.1043   -5.2101    0.0000 O   0  0
   -2.6731   -4.7610    0.0000 C   0  0
   -4.8814   -2.7318    0.0000 C   0  0
   -3.1198   -0.8265    0.0000 N   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -5.4558    0.0000 Cl  0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9  3  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 21 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  2  0
 28 18  1  0
 16 29  1  0
 29 30  2  0
 30 13  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  2  0
 37 10  1  0
 37 31  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15548

> <plate>
PLATE 004

> <well>
B4

> <supplier_cmpd_name>
Alisertib

> <ctcr_id>
2437

> <supplier_cmpd_id>
T2241

> <smiles>
COc1cccc(F)c1C2=NCc3cnc(Nc4ccc(C(O)=O)c(OC)c4)nc3c5ccc(Cl)cc25

> <pd_targets>
{LRRK2,AURKA,NTRK1,PTK2,ERBB4,LCK,RPS6KA3,GRK5,FGFR1,AURKB,EPHA2,FLT1,PDPK1,NTRK2,FGFR3,ABL1,RET,SRC,KDR,FRK,GABRA1,ROS1,PLK4,LTK,LIMK1,PIM3,CSNK2A1,SRPK1,BLK,SLK,NTRK3,TNK2,BTK,INCENP,EGFR,ERBB2,CDK8
,PRKACA,FER,CLK4,BRSK1}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Ligand-gated ion channel","Protein Kinase","GABA-A receptor","TKL protein kinase group","Other protein kinase group","TK protein kinase group","AGC protein kinase group",
"CAMK protein kinase group","CMGC protein kinase group","STE protein kinase group","TKL protein kinase LRRK family","Other protein kinase AUR family","Tyrosine protein kinase Trk family","Tyrosine pro
tein kinase Fak family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","AGC protein kinase RSK family","AGC protein kinase GRK family","Tyrosine protein kinase FGFR family"
,"Tyrosine protein kinase Eph family","Tyrosine protein kinase VEGFR family","AGC protein kinase PDK1 subfamily","Tyrosine protein kinase Abl family","Tyrosine protein kinase Ret family","Tyrosine pro
tein kinase Sev family","Other protein kinase PLK family","Tyrosine protein kinase Alk family","TKL protein kinase LISK family","CAMK protein kinase PIM family","Other protein kinase CK2 family","CMGC
 protein kinase SRPK family","STE protein kinase STE20 family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Tec family","CMGC protein kinase CDK family","AGC protein kinase PKA family
","Tyrosine protein kinase Fer family","CMGC protein kinase CLK family","CAMK protein kinase CAMK1 family","AGC protein kinase RSK subfamily","AGC protein kinase GRK subfamily","TKL protein kinase LIM
K subfamily","STE protein kinase SLK subfamily","CMGC protein kinase CDK8 subfamily","CAMK protein kinase BRSK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Catalytic receptors","Kinases (EC 2.7.x.x)","Ligand-gated ion channels","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","GABA<sub>A</sub> receptors","CAM
K: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","TKL: Tyrosine kinase-like","Other
 protein kinases","TK: Tyrosine kinase","RSK family","G protein-coupled receptor kinases (GRKs)","PDK1 family","PIM family","SRPK family","STE20 family","Cyclin-dependent kinase (CDK) family","Protein
 kinase A (PKA) family","CLK family","CAMK-like (CAMKL) family","Leucine-rich repeat kinase (LRRK) family","Aurora kinase (Aur) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinase
s (nRTKs)","RSK subfamily","GRK4 subfamily","Polo-like kinase (PLK) family","LIM domain kinase (LISK) family","Casein kinase 2 (CK2) family","SLK subfamily","CDK8 subfamily","BRSK subfamily","Type VII
 RTKs: Neurotrophin receptor/Trk family","Fak family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type XII
I RTKs: Ephrin receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Abl family","Type XIV RTKs: RET","Type XVII RTKs: ROS receptors","Type XIX RTKs: Leukocyte ty
rosine kinase (LTK) receptor family","LIMK subfamily","Ack family","Tec family","Fer family"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Disease,"Neuronal System","Immune System","Cell Cycle","Developmental Biology","Signaling by Non-Receptor Tyrosine Kinases","RNA Polymerase II 
Transcription","Signaling by Receptor Tyrosine Kinases","Infectious disease","Transmission across Chemical Synapses","Innate Immune System","Signaling by GPCR","Diseases of signal transduction by grow
th factor receptors and second messengers",Mitotic,"Nervous system development","Intracellular signaling by second messengers","Signaling by PTK6","Generic Transcription Pathway","Signaling by NTRKs",
"Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","HIV Infection","Toll-like Receptor Cascades","GPCR downstream signalling","Signaling by FGFR in disease","M Ph
ase","Axon guidance","Signaling by VEGF","PIP3 activates AKT signaling","Mitotic G2-G2/M phases","Signaling by NOTCH1 in Cancer","Signaling by SCF-KIT","PTK6 promotes HIF1A stabilization","Transcripti
onal Regulation by TP53","Signaling by NTRK1 (TRKA)","Parasite infection","Activation of NMDA receptors and postsynaptic events","Host Interactions of HIV factors","Toll Like Receptor 5 (TLR5) Cascade
","G alpha (q) signalling events","Signaling by FGFR1 in disease","Mitotic Metaphase and Anaphase","EPH-Ephrin signaling","VEGF ligand-receptor interactions","Signaling by FGFR3 in disease","RET signa
ling","VEGFA-VEGFR2 Pathway","PTEN Regulation","GABA receptor activation","G2/M Transition","Semaphorin interactions","Transcriptional regulation by RUNX1","Signaling by NTRK3 (TRKC)","Signaling by NO
TCH1 HD+PEST Domain Mutants in Cancer","Regulation of TP53 Activity","Signalling to ERKs","Leishmania phagocytosis","Post NMDA receptor activation events","The role of Nef in HIV-1 replication and dis
ease pathogenesis","MyD88 cascade initiated on plasma membrane","FGFR1 mutant receptor activation","Mitotic Anaphase","EPHA-mediated growth cone collapse","VEGF binds to VEGFR leading to receptor dime
rization","Activation of TRKA receptors","Signaling by FGFR3 point mutants in cancer","VEGFR2 mediated cell proliferation","Regulation of PTEN stability and activity","Centrosome maturation","Sema4D i
n semaphorin signaling","RUNX1 regulates transcription of genes involved in BCR signaling","Activated NTRK3 signals through PI3K","Gastrin-CREB signalling pathway via PKC and MAPK","Constitutive Signa
ling by NOTCH1 HD+PEST Domain Mutants","Regulation of TP53 Activity through Phosphorylation","Prolonged ERK activation events","FCGR3A-mediated phagocytosis","Long-term potentiation","Nef-mediates dow
n modulation of cell surface receptors by recruiting them to clathrin adapters","MAP kinase activation","Signaling by activated point mutants of FGFR1","Separation of Sister Chromatids","Regulation of
 TP53 Expression and Degradation","NGF-independant TRKA activation","FGFR3 mutant receptor activation","Signalling to RAS","Loss of proteins required for interphase microtubule organization from the c
entrosome","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by Gastrin","ARMS-mediated activation","Nef Mediated CD4 Down-regulation","MAPK targets/ Nuclear events mediat
ed by MAP kinases","Regulation of TP53 Degradation","Signaling by activated point mutants of FGFR3","p38MAPK events","Loss of Nlp from mitotic centrosomes","CREB phosphorylation"}

> <broad_targets>
{AURKA}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{Alisertib,1028486-01-2,1028486012,MLN8237,MLN-8237,"MLN8237 (Alisertib)","MLN 8237",UNII-T66ES73M18,UNIIT66ES73M18,CHEMBL483158,T66ES73M18,"Alisertib (USAN:INN)","Alisertib (MLN8237)","Alisertib (USA
N)","MLN8237,Alisertib",Kinome_3770,Kinome3770,Kinome-3770,"Kinome 3770",PubChem22398,"Alisertib; MLN8237",M,T2241,S1133,alisertib}

> <pdid>
PD003337

> <targets>
{Aurora,"Aurora Kinase",Apoptosis,Autophagy}

> <classes>
{Cell Cycle,Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{24771867}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 23  0  0  0  0            999 V2000
    4.6379    5.2745    0.0000 Br  0  0
    4.3480    3.8028    0.0000 C   0  0
    5.4777    2.8159    0.0000 C   0  0
    5.1878    1.3442    0.0000 C   0  0
    3.7691    0.8603    0.0000 C   0  0
    3.1796   -0.5190    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.5242    2.0130    0.0000 O   0  0
   -1.6852   -0.3847    0.0000 N   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    2.6395    1.8472    0.0000 C   0  0
    2.9286    3.3180    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18  7  1  0
 18 13  1  0
  8 19  1  0
 19  5  1  0
 19 20  2  0
 20  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15549

> <plate>
PLATE 004

> <well>
B5

> <supplier_cmpd_name>
KenPaullone

> <ctcr_id>
489

> <supplier_cmpd_id>
T2247

> <smiles>
Brc1ccc2[nH]c3c(CC(=O)Nc4ccccc34)c2c1

> <pd_targets>
{MARK3,CCNB1,CDK1,ALDH1A1,KMT2A,MEN1,TP53,HTT,CYP2D6,GMNN,CDC42BPA,PLK4,LIMK1,CDC7,FLT4,CDK2,GSK3B,SRC,AURKB,CCNA1,CCNA2,CHEK1,CDK5,CDK5R1,CSNK2A1,CHEK2,MAPT,CHRM1,CYP1A2,ABL1,MARK2,FLT1,LCK,MAPK3,NFK
B1,RAB9A,SMN1,NPC1,THPO,DYRK1A,LMNA,CCNB2,CCNB3,PFMRK,PIM1,PDPK1,STK3,KDR,TSHR,HIF1A,CYP3A4,AURKA,LYN,MAPK1,THRB,NFO,RORC,BLM,CSF1R,NIN,GSK3A,ROCK2,KDM4E,PYK,FYN,HSD17B10,PMP22,PKM,CYP2C9,FLT3,ROCK1,M
TOR,CCNT1,CDK9}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor","Unclassified protein","Other cytosolic protein","Membrane receptor",Transporter,"Other nuclear protein",Kinase,Protease,Oxidoreductase,Reader,"Cy
tochrome P450","Family A G protein-coupled receptor",Hydrolase,"Nuclear receptor",Eraser,Transferase,"Protein Kinase","Cysteine protease",Bromodomain,"Cytochrome P450 family 2","Small molecule recepto
r (family A GPCR)","Cytochrome P450 family 1","Methyl-lysine/arginine binding protein","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Lysine deme
thylase","CAMK protein kinase group","CMGC protein kinase group","Cysteine protease CA clan","Cytochrome P450 family 2D","AGC protein kinase group","Other protein kinase group","TKL protein kinase gro
up","TK protein kinase group","Monoamine receptor","Cytochrome P450 family 1A","Tudor domain","STE protein kinase group","Glycohormone receptor","Cytochrome P450 family 3A","Nuclear hormone receptor s
ubfamily 1 group A","Nuclear hormone receptor subfamily 1 group F","Jumonji domain-containing","Cytochrome P450 family 2C","Atypical protein kinase group","CAMK protein kinase CAMK1 family","CMGC prot
ein kinase CDK family","Cysteine protease C1A family","Cytochrome P450 2D6","AGC protein kinase DMPK family","Other protein kinase PLK family","TKL protein kinase LISK family","Other protein kinase CD
C7 family","Tyrosine protein kinase VEGFR family","CMGC protein kinase GSK family","Tyrosine protein kinase Src family","Other protein kinase AUR family","Other protein kinase CK2 family","CAMK protei
n kinase RAD53 family","Acetylcholine receptor","Cytochrome P450 1A1","Tyrosine protein kinase Abl family","CMGC protein kinase MAPK family","CMGC protein kinase DYRK family","CAMK protein kinase PIM 
family","AGC protein kinase PDK1 subfamily","STE protein kinase STE20 family","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group A member 2","Nuclear hormone receptor subfamily 1 group 
F member 3","Tyrosine protein kinase PDGFR family","Cytochrome P450 2C9","Atypical protein kinase PIKK family","CAMK protein kinase MARK subfamily","CMGC protein kinase CDC2 subfamily","AGC protein ki
nase GEK subfamily","TKL protein kinase LIMK subfamily","CAMK protein kinase CHK1 subfamily","CMGC protein kinase ERK1","CMGC protein kinase CDK5 subfamily","CMGC protein kinase Dyrk1 subfamily","STE 
protein kinase MST subfamily","AGC protein kinase ROCK subfamily","Tyrosine protein kinase SrcA","Atypical protein kinase FRAP subfamily","CMGC protein kinase CDK9 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Kinases (EC 2.7.x.x)","Cytochrome P450","Catalytic receptors","G protein-coupled receptors","SLC superfamily of solute carriers","Nuclear hormone receptors","Chromatin
 modifying enzymes","2.7.1.40 Pyruvate kinases","CAMK: Calcium/calmodulin-dependent protein kinases","CYP2 family: drug metabolising subset","AGC: Containing PKA",PKG,"PKC families","Receptor kinases"
,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","Acetylcholine receptors (muscarinic)","CYP1 family","SLC65 NPC-type cholesterol transporters","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile
 20 kinases","Glycoprotein hormone receptors","CYP3 family","1A. Thyroid hormone receptors","1F. Retinoic acid-related orphans","1.14.11.- Histone demethylases",Atypical,"CAMK-like (CAMKL) family","DM
PK family","Other protein kinases","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","Cyclin-dependent kinase (CDK) family","Glycogen synthase kinase (GSK) family","Mitogen-activated protein kinases (
MAP kinases)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","PIM family","PDK1 family","STE20 family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","
MARK subfamily","GEK subfamily","Polo-like kinase (PLK) family","LIM domain kinase (LISK) family","CDC7 family","Receptor tyrosine kinases (RTKs)","CDK1 subfamily","GSK subfamily","Non-receptor tyrosi
ne kinases (nRTKs)","Aurora kinase (Aur) family","CHK1 subfamily","Casein kinase 2 (CK2) family","ERK subfamily","CDK5 subfamily","Dyrk1 subfamily","MST subfamily","Rho kinase","FRAP subfamily","LIMK 
subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Src family","Abl family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{Disease,Metabolism,"Cell Cycle","Gene expression (Transcription)","Developmental Biology","Signal Transduction","DNA Repair","Neuronal System","Immune System","Metabolism of RNA","Transport of small 
molecules",Hemostasis,"Cellular responses to external stimuli","Metabolism of proteins","Diseases of signal transduction by growth factor receptors and second messengers","Biological oxidations","Cell
 Cycle Checkpoints","RNA Polymerase II Transcription",Mitotic,"Nervous system development","Signaling by Receptor Tyrosine Kinases","Infectious disease","DNA Double-Strand Break Repair","Transmission 
across Chemical Synapses","Signaling by GPCR","Innate Immune System","Cytokine Signaling in Immune system","Signaling by Rho GTPases","Metabolism of non-coding RNA","Plasma lipoprotein assembly",remod
eling,"and clearance","Platelet activation","signaling and aggregation","Signaling by Hippo","Cellular responses to stress","Metabolism of lipids","Post-translational protein modification","Metabolism
 of amino acids and derivatives","Metabolism of carbohydrates","Oncogenic MAPK signaling","Phase I - Functionalization of compounds","G1/S DNA Damage Checkpoints","Generic Transcription Pathway","Mito
tic G1 phase and G1/S transition","Mitotic G2-G2/M phases","Axon guidance","Signaling by VEGF","SARS-CoV Infections","Signaling by NTRKs","M Phase","Homology Directed Repair","Neurotransmitter recepto
rs and postsynaptic signal transmission","GPCR ligand binding","Leishmania infection","HIV Infection","Toll-like Receptor Cascades","Signaling by Interleukins","Rho GTPase cycle","snRNP Assembly","Pla
sma lipoprotein clearance","Platelet Aggregation (Plug Formation)","FLT3 signaling in disease","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)",SUMOylation,"B
ranched-chain amino acid catabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Glucose metabolism","Signaling by Insulin receptor","Regulation of mitotic cell cycle","Signaling
 by RAS mutants","Ethanol oxidation","p53-Dependent G1/S DNA damage checkpoint","Transcriptional Regulation by MECP2","Cytochrome P450 - arranged by substrate type","G1/S Transition","G2/M Transition"
,"Semaphorin interactions","VEGF ligand-receptor interactions","Transcriptional Regulation by TP53","SARS-CoV-1 Infection","Signaling by NTRK1 (TRKA)","Mitotic Metaphase and Anaphase","HDR through Hom
ologous Recombination (HRR) or Single Strand Annealing (SSA)","Activation of NMDA receptors and postsynaptic events","Class A/1 (Rhodopsin-like receptors)","Parasite infection","Host Interactions of H
IV factors","Toll Like Receptor 5 (TLR5) Cascade","Interleukin-1 family signaling","RHOBTB GTPase Cycle","LDL clearance","G0 and Early G1","Signaling by FLT3 ITD and TKD mutants","VEGFA-VEGFR2 Pathway
","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","SUMO E3 ligases SUMOylate target proteins","T
ranscriptional regulation by RUNX3","Transcriptional Regulation by VENTX",Glycolysis,"Insulin receptor signalling cascade","APC/C-mediated degradation of cell cycle proteins","Signaling downstream of 
RAS mutants","p53-Dependent G1 DNA Damage Response","Regulation of MECP2 expression and activity",Xenobiotics,"Activation of the pre-replicative complex","Centrosome maturation","Sema4D in semaphorin 
signaling","VEGF binds to VEGFR leading to receptor dimerization","Regulation of TP53 Activity","SARS-CoV-1 Genome Replication and Transcription","Signalling to ERKs","Mitotic Anaphase","HDR through H
omologous Recombination (HRR)","Post NMDA receptor activation events","Amine ligand-binding receptors","Leishmania phagocytosis","The role of Nef in HIV-1 replication and disease pathogenesis","MyD88 
cascade initiated on plasma membrane","Interleukin-1 signaling","RHOBTB3 ATPase cycle","STAT5 activation downstream of FLT3 ITD mutants","VEGFR2 mediated cell proliferation","Anti-inflammatory respons
e favouring Leishmania parasite infection","Biosynthesis of maresins","SUMOylation of intracellular receptors","RUNX3 Regulates Immune Response and Cell Migration","IRS-mediated signalling","Activatio
n of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Stabilization of p53","CYP2E1 reactions","Loss of proteins required for interphase microtubule organization from the centrosome","
Sema4D induced cell migration and growth-cone collapse","Regulation of TP53 Expression and Degradation","Replication of the SARS-CoV-1 genome","Signalling to RAS","Separation of Sister Chromatids","Ho
mologous DNA Pairing and Strand Exchange","Regulation of TP53 Activity through Phosphorylation","Activation of AMPK downstream of NMDARs","Muscarinic acetylcholine receptors","Aromatic amines can be N
-hydroxylated or N-dealkylated by CYP1A2","FCGR3A-mediated phagocytosis","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","MAP kinase activation","MAP3K
8 (TPL2)-dependent MAPK1/3 activation","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","FCGR3A-mediated IL10 synthesis"
,"Nef and signal transduction","PI3K Cascade","APC/C:Cdc20 mediated degradation of mitotic proteins","Autodegradation of the E3 ubiquitin ligase COP1","Loss of Nlp from mitotic centrosomes","Regulatio
n of TP53 Degradation","p38MAPK events","Presynaptic phase of homologous DNA pairing and strand exchange","Nef Mediated CD4 Down-regulation","MAPK targets/ Nuclear events mediated by MAP kinases","Ini
tiation of Nuclear Envelope (NE) Reformation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","ERK/MAPK targets","Cdc20:Phospho-APC/C mediated
 degradation of Cyclin A","ERKs are inactivated"}

> <broad_targets>
{CCNB1,CDK1,CDK5,GSK3B}

> <broad_moa>
{"CDK inhibitor","glycogen synthase kinase inhibitor"}

> <synonyms>
{kenpaullone,142273-20-9,142273209,9-Bromopaullone,9Bromopaullone,"NSC 664704","9-Bromo-7,12-dihydroindolo(3,2-d)(1)benzazepin-6(5H)-one","9Bromo7,12dihydroindolo(3,2d)(1)benzazepin6(5H)one",NSC-66470
4,NSC664704,9-Bromopaullone;NSC-664704,9Bromopaullone;NSC664704,"9-bromo-7,12-dihydrobenzo(2,3)azepino(4,5-b)indol-6(5H)-one","9bromo7,12dihydrobenzo(2,3)azepino(4,5b)indol6(5H)one",Indolo(3,2-d)(1)be
nz,2d)(1)benz,T2247,"EMD 422000",EI-310,KenPaullone,422000,Kenpaullone}

> <pdid>
PD002702

> <targets>
{CDK,GSK-3beta}

> <classes>
{}

> <pubchem_cids>
{3820}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 41 46  0  0  0  0            999 V2000
    8.0987    2.6109    0.0000 C   0  0
    7.3533    1.3093    0.0000 C   0  0
    5.8532    1.3040    0.0000 N   0  0
    5.0987    2.6005    0.0000 C   0  0
    5.8442    3.9021    0.0000 C   0  0
    7.3442    3.9074    0.0000 N   0  0
    8.0928    5.2082    0.0000 C   0  0
    7.3405    6.5059    0.0000 O   0  0
    9.5936    5.2113    0.0000 C   0  0
   10.3421    6.5121    0.0000 C   0  0
   11.8430    6.5152    0.0000 C   0  0
   12.5952    5.2175    0.0000 O   0  0
   12.5915    7.8160    0.0000 C   0  0
   14.0923    7.8191    0.0000 C   0  0
   14.8405    9.1192    0.0000 C   0  0
   14.8446    6.5214    0.0000 C   0  0
    5.1047    0.0031    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -3.8990   -0.7525    0.0000 C   0  0
   -4.2128    0.7135    0.0000 C   0  0
   -5.7049    0.8679    0.0000 N   0  0
   -6.3128   -0.5034    0.0000 N   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  3
 14 15  1  0
 14 16  1  0
  3 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 18  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 20  1  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 31  1  0
 23 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 36  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15550

> <plate>
PLATE 004

> <well>
B6

> <supplier_cmpd_name>
CNX-1351

> <ctcr_id>
11410

> <supplier_cmpd_id>
T2256

> <smiles>
C1CN(CCN1C(=O)CCC(=O)C=C(C)C)Cc1cc2c(s1)c(nc(n2)c1cccc2c1cn[nH]2)N1CCOCC1

> <pd_targets>
{PIK3CD,PIK3CG,PIK3CA,PIK3CB}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{"Immune System",Metabolism,Disease,"Signal Transduction","Cytokine Signaling in Immune system","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second messengers
","Signaling by Receptor Tyrosine Kinases","Signaling by Interleukins","Phospholipid metabolism","Signaling by FGFR in disease","Signaling by Insulin receptor",Interleukin-3,"Interleukin-5 and GM-CSF 
signaling","PI Metabolism","Signaling by FGFR1 in disease","Insulin receptor signalling cascade","Interleukin receptor SHC signaling","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor 
activation","IRS-mediated signalling","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NX135,CNX-1351,CNX1351,1276105-89-5,1276105895,CHEMBL2316958,SCHEMBL1497679,AOB4441,EX-A447,EXA447,BCP07947,ABP001113,BDBM50426176,MFCD25976872,ZINC95593683,AKOS026750395,CS-3610,CS3610,DA-34965,DA34
965,HY-16596,HY16596,B5821,FT-0700154,FT0700154,A13879,Q27462003,T2256}

> <pdid>
PD012412

> <targets>
{PI3K¦Á,PI3K}

> <classes>
{PI3K/Akt/mTOR signaling,PI3K/Akt/mTOR}

> <pubchem_cids>
{58441401}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 61 68  0  0  0  0            999 V2000
   -7.7568   -4.4434    0.0000 C   0  0
   -7.8049   -5.9426    0.0000 C   0  0
   -9.0926   -6.7120    0.0000 C   0  0
   -6.4995   -5.2037    0.0000 C   0  0
   -5.2069   -5.9647    0.0000 C   0  0
   -5.2196   -7.4647    0.0000 C   0  0
   -6.5250   -8.2036    0.0000 C   0  0
   -7.8177   -7.4425    0.0000 C   0  0
   -6.5378   -9.7042    0.0000 C   0  0
   -5.2464  -10.4674    0.0000 C   0  0
   -5.2616  -11.9674    0.0000 C   0  0
   -6.5681  -12.7042    0.0000 C   0  0
   -6.5833  -14.2041    0.0000 Cl  0  0
   -7.8595  -11.9411    0.0000 C   0  0
   -7.8444  -10.4412    0.0000 C   0  0
   -3.9247   -8.2235    0.0000 C   0  0
   -2.6197   -7.4823    0.0000 N   0  0
   -1.3244   -8.2389    0.0000 C   0  0
   -0.0216   -7.4954    0.0000 C   0  0
   -0.0140   -5.9954    0.0000 N   0  0
   -1.3093   -5.2389    0.0000 C   0  0
   -2.6121   -5.9823    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    5.1954   -3.0153    0.0000 C   0  0
    5.2033   -1.5153    0.0000 O   0  0
    6.4915   -3.7721    0.0000 N   0  0
    7.7954   -3.0289    0.0000 S   0  0
    6.5004   -2.2719    0.0000 O   0  0
    7.8032   -1.5289    0.0000 O   0  0
    9.0914   -3.7857    0.0000 C   0  0
    9.0841   -5.2857    0.0000 C   0  0
   10.3794   -6.0420    0.0000 C   0  0
   11.6821   -5.2984    0.0000 C   0  0
   12.9766   -6.0579    0.0000 N   0  0
   12.9671   -7.5587    0.0000 C   0  0
   14.2616   -8.3181    0.0000 C   0  0
   14.2543   -9.8181    0.0000 C   0  0
   15.5496  -10.5745    0.0000 C   0  0
   16.8523   -9.8309    0.0000 O   0  0
   16.8597   -8.3310    0.0000 C   0  0
   15.5644   -7.5746    0.0000 C   0  0
   11.6895   -3.7984    0.0000 C   0  0
   10.3941   -3.0421    0.0000 C   0  0
   12.9914   -3.0517    0.0000 N   0  3
   12.9966   -1.5517    0.0000 O   0  0
   14.2880   -3.8058    0.0000 O   0  5
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  2  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
  6 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 20 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  2  0
 30 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 39  1  0
 36 45  1  0
 45 46  2  0
 46 33  1  0
 45 47  1  0
 47 48  2  0
 47 49  1  0
 26 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  2  0
 53 54  1  0
 54 55  2  0
 55 56  1  0
 56 57  1  0
 57 58  2  0
 58 59  1  0
 59 55  1  0
 59 60  2  0
 60 52  1  0
 50 61  2  0
 61 23  1  0
M  CHG  2  47   1  49  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15551

> <plate>
PLATE 004

> <well>
B7

> <supplier_cmpd_name>
ABT-199

> <ctcr_id>
2664

> <supplier_cmpd_id>
T2119

> <smiles>
CC1(C)CCC(=C(C1)c2ccc(Cl)cc2)CN3CCN(CC3)c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c(c5)[N+](=O)[O-])c(Oc7cnc8[nH]ccc8c7)c4

> <pd_targets>
{BCL2,BCL2L1,BCL2L2,MCL1}

> <pathway_gtopdb>
{"Ion channel","Other cytosolic protein","Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{"Other protein targets","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{"Immune System",Disease,"Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Immune system","Nucleotide-binding domain","le
ucine rich repeat containing receptor (NLR) signaling pathways","FLT3 signaling in disease","Signaling by Interleukins",Inflammasomes,"Signaling by FLT3 ITD and TKD mutants","Interleukin-4 and Interle
ukin-13 signaling","The NLRP1 inflammasome","STAT5 activation downstream of FLT3 ITD mutants"}

> <broad_targets>
{BCL2}

> <broad_moa>
{"BCL inhibitor"}

> <synonyms>
{HY-15531,HY15531,QC-11704,QC11704,Venetoclax,ABT-199,ABT199,1257044-40-8,1257044408,Venclexta,GDC-0199,GDC0199,"ABT 199",UNII-N54AIC43PW,UNIIN54AIC43PW,"GDC 0199",RG7601,"Venetoclax; Abt-199","Veneto
clax; Abt199","Venetoclax (ABT199)",RG-7601,N54AIC43PW,"ABT-199 (GDC-0199)","ABT199 (GDC0199)","Venetoclax (ABT-199)",venclyxto,BDBM189459,T2119,766270,16233,S8048}

> <pdid>
PD003393

> <targets>
{Bcl-2,Autophagy,Bcl-2 Family}

> <classes>
{Apoptosis,Autophagy}

> <pubchem_cids>
{49846579}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    7.7969   -1.5132    0.0000 S   0  0
    7.7919   -3.0132    0.0000 O   0  0
    6.4955   -2.2591    0.0000 O   0  0
    6.4994   -0.7589    0.0000 N   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 N   0  0
    5.1945   -3.0045    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -2.1885   -3.7539    0.0000 O   0  0
   -4.6588   -2.9478    0.0000 O   0  0
   -5.1253   -4.3743    0.0000 C   0  0
   -6.5929   -4.6844    0.0000 C   0  0
    9.0994   -0.7675    0.0000 C   0  0
   10.3957   -1.5223    0.0000 C   0  0
   11.6974   -0.7770    0.0000 C   0  0
   11.7029    0.7230    0.0000 C   0  0
   10.4066    1.4777    0.0000 C   0  0
    9.1048    0.7325    0.0000 C   0  0
  1  2  2  0
  1  3  2  0
  1  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  7 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 14  2  0
 17 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
  1 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15552

> <plate>
PLATE 004

> <well>
B8

> <supplier_cmpd_name>
HS-173

> <ctcr_id>
11411

> <supplier_cmpd_id>
T2308

> <smiles>
S(=O)(=O)(Nc1cc(cnc1)c1ccc2n(c1)c(cn2)C(=O)OCC)c1ccccc1

> <pd_targets>
{PIK3CB,PIK3CA,PIK3CD,PIK3R1,PIK3CG}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","Signaling 
by Insulin receptor","Signaling by FGFR in disease","Phospholipid metabolism","Insulin receptor signalling cascade","Signaling by FGFR1 in disease","PI Metabolism","IRS-mediated signalling","FGFR1 mut
ant receptor activation","Synthesis of PIPs at the plasma membrane","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{S17,HS-173,HS173,1276110-06-5,1276110065,CHEMBL1765463,"HS 173",GTPL8243,SCHEMBL20768095,AOB6845,EX-A320,EXA320,HMS3653I16,BCP09225,2465AH,BDBM50341493,MFCD28023584,s7356,ZINC71319188,AKOS026750419,A
CN-053037,ACN053037,CCG-268913,CCG268913,CS-6015,CS6015,SB19242,NCGC00386329-02,NCGC0038632902,AK474032,AS-74644,AS74644,T2308}

> <pdid>
PD010339

> <targets>
{PI3K,PI3K¦Á}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{52936849}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    7.7965   -1.5150    0.0000 C   0  0
    6.4990   -0.7623    0.0000 C   0  0
    5.1972   -1.5092    0.0000 O   0  0
    3.8990   -0.7562    0.0000 C   0  0
    3.9026    0.7438    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5937   -3.0039    0.0000 C   0  0
    2.5901   -4.5039    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    3.8971    3.7500    0.0000 Br  0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
   -1.2946   -3.7531    0.0000 O   0  0
    1.3039   -3.7494    0.0000 O   0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6071   -5.9984    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  3  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  3
 19  9  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 18 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15553

> <plate>
PLATE 004

> <well>
B9

> <supplier_cmpd_name>
HA14-1

> <ctcr_id>
608

> <supplier_cmpd_id>
T1980

> <smiles>
CCOC(=O)C(C#N)C1c2cc(Br)ccc2OC(=C1C(=O)OCC)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{BCL2}

> <broad_moa>
{"BCL inhibitor"}

> <synonyms>
{A14,ha14-1,ha141,65673-63-4,65673634,"HA 14-1","HA 141",MFCD00218213,HA-14-1,HA141,927635-64-1,927635641,SR-01000511000,SR01000511000,C17H17BrN2O5,Maybridge1_000786,Maybridge1000786,Maybridge1-000786
,"Maybridge1 000786","2-oxo-2-(2-(tritylamino)thiazol-5-yl)acetic acid","2oxo2(2(tritylamino)thiazol5yl)acetic acid",BSPBio_001583,BSPBio001583,BSPBio-001583,"BSPBio 001583",KBioGR_000303,KBioGR000303
,KBioGR-000303,"KBioGR 000303",KBioSS_000303,KBioSS000303,KBioSS-000303,"KBioSS 000303",cc-453,cc453,SCHEMBL1427458,CHEBI:94328,HMS543L16,KBio,S1071,HA14-1}

> <pdid>
PD011152

> <targets>
{"BCL2 FAMILY",Bcl-2}

> <classes>
{Apoptosis}

> <pubchem_cids>
{3549}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 34 35  0  0  0  0            999 V2000
    7.7854    3.0107    0.0000 C   0  0
    7.7912    1.5107    0.0000 C   0  0
    6.9269    1.0077    0.0000 C   0  0
    9.0933    0.7644    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    6.4973    0.2591    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
   10.4003   -1.4841    0.0000 B   0  0
   11.6994   -0.7342    0.0000 O   0  0
   12.9984   -1.4841    0.0000 C   0  0
   14.2974   -0.7341    0.0000 O   0  0
   12.9985   -2.9841    0.0000 C   0  0
   11.6994   -3.7342    0.0000 C   0  0
   12.9994   -4.4426    0.0000 C   0  0
   14.2994   -3.6927    0.0000 C   0  0
   15.5987   -4.4424    0.0000 O   0  0
   14.2996   -2.1927    0.0000 O   0  0
   10.4004   -2.9842    0.0000 O   0  0
   10.3993   -4.4430    0.0000 C   0  0
   10.3982   -5.9430    0.0000 O   0  0
    9.1006   -3.6924    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  2  0
 19 13  1  0
 19 20  1  0
  5 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 26 31  1  0
 31 21  1  0
 26 32  1  0
 32 33  2  0
 32 34  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15554

> <plate>
PLATE 004

> <well>
B10

> <supplier_cmpd_name>
Ixazomib Citrate

> <ctcr_id>
7194

> <supplier_cmpd_id>
T2016

> <smiles>
CC(C)CC(NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B2OC(=O)CC(CC(=O)O)(O2)C(=O)O

> <pd_targets>
{PSMB2,PSMB1,PSMB5,ADRM1,PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB10,PSMB11,PSMB3,PSMB4,PSMB6,PSMB7,PSMB8,PSMB9,PSMC1,PSMC2,PSMC3,PSMC4,PSMC5,PSMC6,PSMD1,PSMD11,PSMD12,PSMD13,PSMD14,PSMD2,P
SMD3,PSMD4,PSMD6,PSMD7,PSMD8,SEM1}

> <pathway_gtopdb>
{Enzyme,Protease,"Threonine protease","Metallo protease","Threonine protease PBT clan","Metallo protease MP clan","Threonine protease T1A subfamily","Metallo protease M67 family","Metallo protease M67
A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","PB: Threonine (T) Peptidases","T1: Proteasome"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Regulation of mitotic cell cycle","APC/C-mediated degradation of cell cycle proteins","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","APC/C:Cdc20
 mediated degradation of mitotic proteins","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin
 A"}

> <broad_targets>
{}

> <broad_moa>
{"proteasome inhibitor"}

> <synonyms>
{1201902-80-8,1201902808,MLN9708,MLN-9708,"MLN 9708",CHEMBL1813256,"1239908-20-3 (citrate)","1239908203 (citrate)","ixazomib citrate 1,3,2-dioxaborinane","ixazomib citrate 1,3,2dioxaborinane",133876-9
2-3,133876923,"Ixazomib Citrate (MLN9708)",cc-436,cc436,C20H23BCl2N2O9,SCHEMBL4415508,"MLN9708 (Ixazomib citrate))",DTXSID10152721,Ixazom,758254,S2181,"Ixazomib citrate"}

> <pdid>
PD010838

> <targets>
{Proteasome}

> <classes>
{}

> <pubchem_cids>
{49867936}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 56 61  0  0  1  0            999 V2000
    9.0926   -3.7747    0.0000 C   0  0
    7.7959   -3.0206    0.0000 N   0  0
    7.8011   -1.5206    0.0000 C   0  0
    6.4933   -3.7660    0.0000 C   0  0
    5.1959   -3.0115    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0  2  0  0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4886   -5.2610    0.0000 C   0  0
    7.7876   -6.0110    0.0000 C   0  0
    7.7875   -7.5110    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    3.8912   -8.2640    0.0000 N   0  3
    2.5909   -7.5163    0.0000 O   0  5
    3.8934   -9.7640    0.0000 O   0  0
    9.0873   -8.2614    0.0000 S   0  0
    9.0868   -9.7614    0.0000 O   0  0
   10.3859   -9.0121    0.0000 O   0  0
   10.3875   -7.5119    0.0000 N   0  0
   11.6872   -8.2623    0.0000 C   0  0
   11.6867   -9.7623    0.0000 O   0  0
   12.9875   -7.5128    0.0000 C   0  0
   14.2876   -8.2609    0.0000 C   0  0
   15.5856   -7.5091    0.0000 C   0  0
   15.5836   -6.0091    0.0000 C   0  0
   14.2835   -5.2609    0.0000 C   0  0
   12.9855   -6.0127    0.0000 C   0  0
   16.8822   -5.2570    0.0000 N   0  0
   18.1836   -6.0031    0.0000 C   0  0
   19.4804   -5.2492    0.0000 C   0  0
   19.4760   -3.7492    0.0000 N   0  0
   18.1747   -3.0031    0.0000 C   0  0
   16.8779   -3.7569    0.0000 C   0  0
   20.7719   -2.9923    0.0000 C   0  0
   20.7653   -1.4915    0.0000 C   0  0
   19.4615   -0.7497    0.0000 C   0  0
   19.4519    0.7502    0.0000 C   0  0
   20.7461    1.5086    0.0000 C   0  0
   22.0499    0.7669    0.0000 C   0  0
   22.0595   -0.7331    0.0000 C   0  0
   23.3640   -1.4750    0.0000 C   0  0
   23.3761   -2.9751    0.0000 C   0  0
   24.6811   -3.7146    0.0000 C   0  0
   25.9741   -2.9542    0.0000 C   0  0
   27.2791   -3.6938    0.0000 Cl  0  0
   25.9621   -1.4543    0.0000 C   0  0
   24.6571   -0.7147    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  6 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 19 25  1  0
 25 26  2  0
 25 27  2  0
 25 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
 34 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 37  1  0
 40 43  1  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 48 49  2  0
 49 44  1  0
 49 50  1  0
 50 51  2  0
 51 52  1  0
 52 53  2  0
 53 54  1  0
 53 55  1  0
 55 56  2  0
 56 50  1  0
M  CHG  2  22   1  23  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15555

> <plate>
PLATE 004

> <well>
B11

> <supplier_cmpd_name>
ABT-737

> <ctcr_id>
4034

> <supplier_cmpd_id>
T2099

> <smiles>
CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(Cl)cc6

> <pd_targets>
{BCL2L1,BCL2L2,MCL1,BCL2,BAK1,BBC3,BAX,BID,BAD,BCL2L11}

> <pathway_gtopdb>
{"Ion channel","Other cytosolic protein","Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{"Other protein targets","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{Disease,"Immune System","Programmed Cell Death","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Immune system","Innate Immune System",Apoptos
is,"FLT3 signaling in disease","Signaling by Interleukins","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling pathways","Intrinsic Pathway for Apoptosis","Signaling b
y FLT3 ITD and TKD mutants","Interleukin-4 and Interleukin-13 signaling",Inflammasomes,"Activation of BH3-only proteins","STAT5 activation downstream of FLT3 ITD mutants","The NLRP1 inflammasome","Act
ivation of BAD and translocation to mitochondria"}

> <broad_targets>
{BCL2,BCL2L1,BCL2L2}

> <broad_moa>
{"BCL inhibitor"}

> <synonyms>
{BT73,ABT-737,ABT737,852808-04-9,852808049,"ABT 737",UNII-Z5NFR173NV,UNIIZ5NFR173NV,Z5NFR173NV,CHEMBL376408,C42H45ClN6O5S2,2yxj,PubChem20162,N3C,cc-242,cc242,SCHEMBL158942,GTPL8320,QCR-51,QCR51,DTXSID
7042641,"N-Benylpiperazine derivative, 2","NBenylpiperazine derivative, 2",BDBM21447,CHEBI:47575,AOB2880,EX-A056,EXA056,SYN1001,AB,11501}

> <pdid>
PD003415

> <targets>
{"BCL2 FAMILY"}

> <classes>
{}

> <pubchem_cids>
{11228183}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 23  0  0  1  0            999 V2000
   12.9995   -1.4792    0.0000 C   0  0
   11.6990   -0.7319    0.0000 C   0  0
   11.6963    0.7681    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0  2  0  0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    6.4964    0.7591    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
    9.0933    0.7644    0.0000 B   0  0
    7.7919    1.5103    0.0000 O   0  0
   10.3897    1.5189    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  2  0
 19 13  1  0
 19 20  1  0
  5 21  1  0
 21 22  1  0
 21 23  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15556

> <plate>
PLATE 004

> <well>
C2

> <supplier_cmpd_name>
Ixazomib

> <ctcr_id>
7488

> <supplier_cmpd_id>
T2122

> <smiles>
CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O

> <pd_targets>
{PSMB5,PSMB1,PSMB2,PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB10,PSMB11,PSMB3,PSMB4,PSMB6,PSMB7,PSMB8,PSMB9,NFKB1,NFKB2,RELA}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Protease,"Threonine protease","Threonine protease PBT clan","Threonine protease T1A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","PB: Threonine (T) Peptidases","T1: Proteasome"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Regulation of mitotic cell cycle","APC/C-mediated degradation of cell cycle proteins","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","APC/C:Cdc20
 mediated degradation of mitotic proteins","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin
 A"}

> <broad_targets>
{}

> <broad_moa>
{"proteasome inhibitor"}

> <synonyms>
{BRD-K78659596-001-01-3,BRDK78659596001013,S-7673,S7673,J-001749,J001749,Ixazomib,1072833-77-2,1072833772,MLN2238,MLN-2238,"MLN 2238","(R)-1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutylboronic a
cid","(R)1(2(2,5dichlorobenzamido)acetamido)3methylbutylboronic acid","(R)-(1-(2-(2,5-dichlorobenzamido)acetamido)-3-methylbutyl)boronic acid","(R)(1(2(2,5dichlorobenzamido)acetamido)3methylbutyl)boro
nic acid",UNII-71050168A2,UNII71050168A2,S2180}

> <pdid>
PD003323

> <targets>
{Proteasome}

> <classes>
{}

> <pubchem_cids>
{25183872}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    5.1065    0.0000    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  3
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.1904    2.6376    0.0000 C   0  0
    4.6588    2.9478    0.0000 C   0  0
    5.1253    4.3743    0.0000 O   0  0
    6.5929    4.6844    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    3.1905   -2.6376    0.0000 C   0  0
    4.6589   -2.9478    0.0000 C   0  0
    5.1272   -4.3728    0.0000 N   0  0
    6.5954   -4.6799    0.0000 C   0  0
    7.5954   -3.5619    0.0000 C   0  0
    7.1272   -2.1368    0.0000 N   0  0
    5.6590   -1.8298    0.0000 C   0  0
   10.0954    0.0023    0.0000 Br  0  5
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  2  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  5 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 13  1  0
 18 19  1  0
 19  4  1  0
 19 20  2  0
  3 21  1  0
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  3
 25 26  1  0
 26 27  2  3
 27 22  1  0
M  CHG  2   3   1  28  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15557

> <plate>
PLATE 004

> <well>
C3

> <supplier_cmpd_name>
YM155

> <ctcr_id>
2044

> <supplier_cmpd_id>
T2111

> <smiles>
CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]

> <pd_targets>
{REP,PAK1}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","STE protein kinase group","STE protein kinase STE20 family","STE protein kinase PAKA subfamily"}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Anti-infective targets","Kinases (EC 2.7.x.x)","Viral protein targets","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Coronavirus (CoV) protein
s","STE20 family","PAKA subfamily"}

> <pathway_reactome>
{Disease,"Developmental Biology","Infectious disease","Nervous system development","SARS-CoV Infections","Axon guidance","SARS-CoV-2 Infection","EPH-Ephrin signaling","SARS-CoV-2 Genome Replication an
d Transcription","EPHB-mediated forward signaling","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
{BIRC5}

> <broad_moa>
{"survivin inhibitor"}

> <synonyms>
{781661-94-7,781661947,"Sepantronium bromide",YM155,YM-155,"Ym 155","YM155 (Sepantronium Bromide)",UNII-7H5Q4J1CM5,UNII7H5Q4J1CM5,7H5Q4J1CM5,"Sepantronium bromide (USAN:INN)","sepantronii bromidum","b
romuro de sepantronio","bromure de sepantronium",MLS006010288,SCHEMBL727997,S1130,"Sepantronium (bromide)"}

> <pdid>
PD003332

> <targets>
{Survivin}

> <classes>
{Apoptosis}

> <pubchem_cids>
{11178236}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 33  0  0  0  0            999 V2000
    2.6003   -1.4977    0.0000 O   0  0
    3.8983   -0.7459    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 N   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -2.6130    7.4957    0.0000 O   0  0
   -1.3147    8.2488    0.0000 C   0  0
   -1.3147    9.7488    0.0000 C   0  0
   -2.6128   10.5020    0.0000 C   0  0
   -3.9132    9.7543    0.0000 O   0  0
   -2.6107   12.0028    0.0000 N   0  0
   -3.9081   12.7555    0.0000 C   0  0
   -0.0156   10.4988    0.0000 C   0  0
    1.2834    9.7488    0.0000 C   0  0
    1.2834    8.2488    0.0000 C   0  0
   -0.0156    7.4988    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 N   0  0
   -5.2089    5.9859    0.0000 Br  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 C   0  0
  1  2  1  0
  1  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 12 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 11  1  0
  9 21  2  0
 21 22  1  0
 22 23  2  0
 23  7  1  0
 21 24  1  0
  5 25  2  0
 25 26  1  0
 26 27  2  0
 27  3  1  0
 27 28  1  0
 28 29  1  0
 26 30  1  0
 30 31  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15558

> <plate>
PLATE 004

> <well>
C4

> <supplier_cmpd_name>
SBI-0206965

> <ctcr_id>
11412

> <supplier_cmpd_id>
T2128

> <smiles>
O(C)c1cc(Nc2nc(Oc3c(C(=O)NC)cccc3)c(cn2)Br)cc(c1OC)OC

> <pd_targets>
{ULK1,ULK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","Other protein kinase ULK family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","Other protein kinases","Unc-51-like kinase (ULK) family"}

> <pathway_reactome>
{Autophagy,Macroautophagy,"Selective autophagy",Mitophagy,"Receptor Mediated Mitophagy"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BI020696,SBI-0206965,SBI0206965,1884220-36-3,1884220363,Sbi0206965,"2-(5-bromo-2-(3,4,5-trimethoxyanilino)pyrimidin-4-yl)oxy-N-methylbenzamide","2(5bromo2(3,4,5trimethoxyanilino)pyrimidin4yl)oxyNmeth
ylbenzamide",EDJ,CHEMBL4128069,SCHEMBL17544844,GTPL11339,EX-A747,EXA747,BDBM379177,BCP23859,BCP29511,"US10266549, Example 88",MFCD29472244,NSC784816,s,T2128}

> <pdid>
PD017271

> <targets>
{ULK1}

> <classes>
{Autophagy}

> <pubchem_cids>
{92044402}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    6.4897   -5.2632    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5109    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Br  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15559

> <plate>
PLATE 004

> <well>
C5

> <supplier_cmpd_name>
Bikinin

> <ctcr_id>
11413

> <supplier_cmpd_id>
T1965

> <smiles>
OC(=O)CCC(=O)Nc1ncc(Br)cc1

> <pd_targets>
{TSHR,RORC,AMPC}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor",Enzyme,"Family A G protein-coupled receptor","Nuclear receptor",Hydrolase,"Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Glycoho
rmone receptor","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Nuclear hormone receptors","Glycoprotein hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","Leishmania infection","Generic Transcription Pathway","Leishmania parasite growth and survival","Tran
scriptional regulation by RUNX3","Anti-inflammatory response favouring Leishmania parasite infection","RUNX3 Regulates Immune Response and Cell Migration","ADORA2B mediated anti-inflammatory cytokines
 production"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Bikinin,188011-69-0,188011690,"4-((5-Bromopyridin-2-yl)amino)-4-oxobutanoic acid","4((5Bromopyridin2yl)amino)4oxobutanoic acid","4-((5-bromopyridin-2-yl)amino)-4-oxobutanoic acid","4((5bromopyridin2y
l)amino)4oxobutanoic acid",Abrasin,"N-(5-Bromo-pyridin-2-yl)-succinamic acid","N(5Bromopyridin2yl)succinamic acid","n-(5-bromopyridin-2-yl)succinamic acid","n(5bromopyridin2yl)succinamic acid",3-(N-(5
-bromo-2-pyridyl)carbam,3(N(5bromo2pyridyl)carbam,T1965}

> <pdid>
PD004311

> <targets>
{GSK-3,"Shaggy-like kinase"}

> <classes>
{"PI3K/Akt/mTOR signaling",Others,"Stem Cells"}

> <pubchem_cids>
{647833}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 20  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -5.1047    0.0001    0.0000 C   0  0
   -4.4642   -1.3160    0.0000 N   0  0
   -5.5800   -2.3185    0.0000 C   0  0
   -6.8783   -1.5671    0.0000 C   0  0
   -6.5649   -0.1002    0.0000 C   0  0
   -5.8521    1.3006    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2947    3.7531    0.0000 N   0  0
    6.3039    0.7175    0.0000 Cl  0  0
    3.8039    0.7175    0.0000 Cl  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9  4  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 10  1  0
 10 15  1  0
  3 16  1  0
 16 17  2  0
 16 18  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15560

> <plate>
PLATE 004

> <well>
C6

> <supplier_cmpd_name>
Veliparib dihydrochloride

> <ctcr_id>
11414

> <supplier_cmpd_id>
T2105

> <smiles>
c1cc(c2c(c1)nc([nH]2)C1(NCCC1)C)C(=O)N.Cl.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PARP1,PARP2}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{912445-04-6,912445046,SCHEMBL2368889,AKOS026750354,FT-0689280,FT0689280,T2105,"Veliparib dihydrochloride"}

> <pdid>

> <targets>
{PARP1,PARP2}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair"}

> <pubchem_cids>
{25193407}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    5.2315    1.1941    0.0000 C   0  0
    3.7691    0.8603    0.0000 C   0  0
    3.1796   -0.5190    0.0000 S   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 N   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1510   -0.7161    0.0000 C   0  0
   -4.1703    0.3855    0.0000 C   0  0
   -3.7257    1.8181    0.0000 O   0  0
   -5.6342    0.0546    0.0000 O   0  0
   -6.6534    1.1562    0.0000 C   0  0
   -8.1165    0.8254    0.0000 C   0  0
   -7.6716    2.2577    0.0000 C   0  0
   -6.2088    2.5888    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.2135   -2.9844    0.0000 N   0  0
    0.0000   -3.8661    0.0000 N   0  0
    1.2135   -2.9844    0.0000 C   0  0
    2.6401   -3.4480    0.0000 C   0  0
    0.7500   -1.5574    0.0000 N   0  0
    0.0000    3.2293    0.0000 C   0  0
    1.3386    3.9148    0.0000 C   0  0
    1.4153    5.4128    0.0000 C   0  0
    0.1563    6.2283    0.0000 C   0  0
    0.2330    7.7263    0.0000 Cl  0  0
   -1.1794    5.5457    0.0000 C   0  0
   -1.2561    4.0476    0.0000 C   0  0
    2.6395    1.8472    0.0000 C   0  0
    2.7740    3.3412    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 13 16  1  0
  8 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22  4  1  0
 22 17  1  0
  6 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 23  1  0
  5 30  1  0
 30  2  2  0
 30 31  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15561

> <plate>
PLATE 004

> <well>
C7

> <supplier_cmpd_name>
(+)-JQ-1

> <ctcr_id>
7894

> <supplier_cmpd_id>
T2110

> <smiles>
Cc1sc2c(C(=NC(CC(=O)OC(C)(C)C)c3nnc(C)n23)c4ccc(Cl)cc4)c1C

> <pd_targets>
{BRD2,BRD3,BRD4,BRDT,CREBBP}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Writer,Bromodomain,"Histone acetyltransferase","p300/CBP family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","Non-enzymatic BRD containing proteins","Bromodomain kinase
 (BRDK) family"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"RNA Polymerase II Transcription","Infectious disease","Generic Transcription Pathway","SARS-CoV Infections","Transcriptional regulation by RUNX3","Potential
 therapeutics for SARS","Transcriptional Regulation by TP53","RUNX3 regulates p14-ARF","TP53 Regulates Transcription of Cell Death Genes","TP53 Regulates Transcription of Genes Involved in Cytochrome 
C Release"}

> <broad_targets>
{BRD4,BRDT}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{26852471,1268524-71-5,1268524715,"(R)-(-)-JQ1 Enantiomer","(R)()JQ1 Enantiomer",(-)-JQ1,()JQ1,(-)-JQ-1,(R)-JQ1,(R)JQ1,LSM-6333,LSM6333,SCHEMBL881208,CHEMBL3220211,CHEBI:95081,EX-A463,EXA463,BDBM20542
9,2826AH,HY-13030A,HY13030A,MFCD22124456,ZINC71789385,AKOS025147026,CS-0646,CS0646,DS-8567,DS8567,SB17022,"(R)-JQ1 (3)","(R)JQ1 (3)",(?)-JQ-1,(?)JQ1,A8181,S,T2110,S7110,(+)-JQ-1,(+)-JQ1}

> <pdid>
PD000031

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{49871818}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 65 71  0  0  1  0            999 V2000
    2.5800    0.0305    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2638   -2.2496    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 N   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
   -2.5795   -7.5047    0.0000 C   0  0
   -3.8747   -8.2614    0.0000 C   0  0
   -3.8672   -9.7614    0.0000 C   0  0
   -2.5644  -10.5048    0.0000 C   0  0
   -1.2691   -9.7483    0.0000 C   0  0
   -1.2767   -8.2483    0.0000 C   0  0
   -2.5537  -12.0056    0.0000 C   0  0
   -3.8476  -12.7644    0.0000 O   0  0
   -1.2491  -12.7476    0.0000 N   0  0
   -1.2384  -14.2484    0.0000 S   0  0
   -2.5427  -13.5074    0.0000 O   0  0
   -2.5324  -15.0072    0.0000 O   0  0
    0.0661  -14.9904    0.0000 C   0  0
    0.0758  -16.4903    0.0000 C   0  0
    1.3797  -17.2319    0.0000 C   0  0
    2.6739  -16.4735    0.0000 C   0  0
    3.9769  -17.2182    0.0000 N   0  0
    3.9845  -18.7190    0.0000 C   0  0  2  0  0  0
    5.2867  -19.4651    0.0000 C   0  0
    6.5845  -18.7112    0.0000 C   0  0
    7.8867  -19.4573    0.0000 N   0  0
    9.1849  -18.7057    0.0000 C   0  0
   10.4849  -19.4541    0.0000 C   0  0
   10.4868  -20.9541    0.0000 O   0  0
    9.1887  -21.7057    0.0000 C   0  0
    7.8887  -20.9574    0.0000 C   0  0
    2.6868  -19.4729    0.0000 C   0  0
    1.3845  -18.7268    0.0000 S   0  0
    0.0868  -19.4807    0.0000 C   0  0
   -1.2158  -18.7369    0.0000 C   0  0
   -2.5113  -19.4930    0.0000 C   0  0
   -2.5042  -20.9930    0.0000 C   0  0
   -1.2017  -21.7368    0.0000 C   0  0
    0.0938  -20.9807    0.0000 C   0  0
    2.6642  -14.9735    0.0000 C   0  0
    1.3603  -14.2320    0.0000 C   0  0
    3.9590  -14.2147    0.0000 S   0  0
    3.9488  -12.7148    0.0000 O   0  0
    2.6550  -13.4734    0.0000 O   0  0
    5.2641  -14.9559    0.0000 C   0  0
    6.5582  -14.1975    0.0000 F   0  0
    5.2743  -16.4559    0.0000 F   0  0
    6.5681  -15.6973    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.4995    3.7442    0.0000 Cl  0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  2  0
 24 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 32 31  1  6
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 35  1  0
 32 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 43  1  0
 30 49  1  0
 49 50  2  0
 50 27  1  0
 49 51  1  0
 51 52  2  0
 51 53  2  0
 51 54  1  0
 54 55  1  0
 54 56  1  0
 54 57  1  0
  7 58  1  0
 58  2  1  0
  6 59  1  0
 59 60  2  0
 60 61  1  0
 61 62  2  0
 62 63  1  0
 62 64  1  0
 64 65  2  0
 65 59  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15562

> <plate>
PLATE 004

> <well>
C8

> <supplier_cmpd_name>
Navitoclax

> <ctcr_id>
1167

> <supplier_cmpd_id>
T2101

> <smiles>
CC1(C)CCC(=C(CN2CCN(CC2)c3ccc(cc3)C(=O)N[S](=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc6ccccc6)c(c4)[S](=O)(=O)C(F)(F)F)C1)c7ccc(Cl)cc7

> <pd_targets>
{BCL2,BCL2L1,MCL1,BCL2L11,BCL2L2}

> <pathway_gtopdb>
{"Ion channel","Other cytosolic protein","Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{"Other protein targets","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{"Immune System",Disease,"Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Immune system","Nucleotide-binding domain","le
ucine rich repeat containing receptor (NLR) signaling pathways","FLT3 signaling in disease","Signaling by Interleukins",Inflammasomes,"Signaling by FLT3 ITD and TKD mutants","Interleukin-4 and Interle
ukin-13 signaling","The NLRP1 inflammasome","STAT5 activation downstream of FLT3 ITD mutants"}

> <broad_targets>
{BCL2,BCL2L1,BCL2L2}

> <broad_moa>
{"BCL inhibitor"}

> <synonyms>
{BT26,Navitoclax,923564-51-6,923564516,ABT-263,ABT263,"ABT 263","ABT-263 (Navitoclax)","ABT263 (Navitoclax)",UNII-XKJ5VVK2WD,UNIIXKJ5VVK2WD,"Navitoclax (ABT-263)","Navitoclax (ABT263)",XKJ5VVK2WD,C47H
55ClF3N5O6S3,CHEMBL443684,A-855071.0,A855071.0,"Navitoclax (USAN:INN)",navitoclaxum,"ABT-263 Navitoclax","ABT263 Navitoclax","ABT-263,Navitoclax","ABT263,Navitoclax",PubChe,T2101,S1001}

> <pdid>
PD003309

> <targets>
{BCL2 FAMILY,Bcl-2 Family}

> <classes>
{Apoptosis}

> <pubchem_cids>
{24978538}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 26  0  0  0  0            999 V2000
    2.2090   -0.3353    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8972    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0
    2.7095   -0.7710    0.0000 O   0  0
    3.4182   -2.8395    0.0000 C   0  0
    2.9720   -4.2725    0.0000 C   0  0
    2.5261   -5.7047    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
 12  6  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15  5  1  0
 15 16  1  0
 16  2  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19  2  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  3  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15563

> <plate>
PLATE 004

> <well>
C9

> <supplier_cmpd_name>
Dienogest

> <ctcr_id>
3140

> <supplier_cmpd_id>
T2577

> <smiles>
CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2(O)CC#N

> <pd_targets>
{PGR,AR}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormon
e receptor subfamily 3 group C member 4"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)","Post-translational protein modification","RNA Polymerase II Transcription",SUMOylation,"Generic Transcription Pathway","SUMO E3 ligases SUM
Oylate target proteins","Transcriptional regulation by RUNX2","SUMOylation of intracellular receptors","RUNX2 regulates bone development","RUNX2 regulates osteoblast differentiation"}

> <broad_targets>
{PGR}

> <broad_moa>
{"progesterone receptor agonist"}

> <synonyms>
{"17-cyanomethyl-17-hydroxy-estra-4,9-dien-3-one","17cyanomethyl17hydroxyestra4,9dien3one","17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile","17Hydroxy3oxo19norpregna4,9diene21nitrile",STL451056,LS
-14797,LS14797,"(17-hydroxy-3-oxoestra-4,9-dien-17-yl)acetonitrile","(17hydroxy3oxoestra4,9dien17yl)acetonitrile","(17a)-17-Hydroxy-3-oxo-19-norpregna-4,9-diene-21-nitrile","(17a)17Hydroxy3oxo19norpre
gna4,9diene21nitrile",S1251,Dienogest}

> <pdid>
PD009046

> <targets>
{"Estrogen/progestogen Receptor"}

> <classes>
{"Endocrinology & Hormones"}

> <pubchem_cids>
{13175121}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 63 68  0  0  1  0            999 V2000
   24.4700   -3.5054    0.0000 Ca  0  2
    6.4897   -5.2632    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0  2  0  0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0  2  0  0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    0.0072   -7.5009    0.0000 F   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.5987    1.5004    0.0000 C   0  0
    4.0196    1.4570    0.0000 C   0  0
    3.2676    2.7548    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4833   -9.7648    0.0000 O   0  0
    7.7858   -7.5171    0.0000 O   0  5
   20.6733   -5.2632    0.0000 O   0  0
   19.3730   -6.0109    0.0000 C   0  0  2  0  0  0
   18.0748   -5.2578    0.0000 C   0  0
   18.0769   -3.7570    0.0000 C   0  0  2  0  0  0
   19.3773   -3.0093    0.0000 O   0  0
   16.7787   -3.0039    0.0000 C   0  0
   16.7808   -1.5031    0.0000 C   0  0
   15.4826   -0.7500    0.0000 C   0  0
   15.4826    0.7500    0.0000 C   0  0
   14.1836    1.5000    0.0000 N   0  0
   12.8845    0.7500    0.0000 C   0  0
   11.5855    1.5000    0.0000 C   0  0
   10.2865    0.7500    0.0000 C   0  0
   10.2865   -0.7500    0.0000 C   0  0
   11.5855   -1.5000    0.0000 C   0  0
   12.8845   -0.7500    0.0000 C   0  0
   14.1836   -1.5000    0.0000 C   0  0
   14.1836   -3.0008    0.0000 C   0  0
   12.8857   -3.7529    0.0000 C   0  0
   12.8881   -5.2529    0.0000 C   0  0
   14.1884   -6.0009    0.0000 C   0  0
   14.1907   -7.5009    0.0000 F   0  0
   15.4862   -5.2488    0.0000 C   0  0
   15.4838   -3.7488    0.0000 C   0  0
   16.7823    1.5004    0.0000 C   0  0
   18.2032    1.4570    0.0000 C   0  0
   17.4512    2.7548    0.0000 C   0  0
   19.3709   -7.5117    0.0000 C   0  0
   20.6691   -8.2648    0.0000 C   0  0
   20.6669   -9.7648    0.0000 O   0  0
   21.9694   -7.5171    0.0000 O   0  5
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 12  1  0
 17 18  2  0
 18  9  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
 10 26  1  0
 26 27  1  0
 27 28  1  0
 28 26  1  0
  3 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 34 33  1  1
 34 35  1  0
 35 36  1  0
 36 37  1  1
 36 38  1  0
 38 39  2  3
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 48 43  1  0
 48 49  2  0
 49 40  1  0
 49 50  1  0
 50 51  2  0
 51 52  1  0
 52 53  2  0
 53 54  1  0
 53 55  1  0
 55 56  2  0
 56 50  1  0
 41 57  1  0
 57 58  1  0
 58 59  1  0
 59 57  1  0
 34 60  1  0
 60 61  1  0
 61 62  2  0
 61 63  1  0
M  CHG  3   1   2  32  -1  63  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15564

> <plate>
PLATE 004

> <well>
C10

> <supplier_cmpd_name>
Pitavastatin calcium

> <ctcr_id>
7423

> <supplier_cmpd_id>
T2534

> <smiles>
[Ca+2].O[C@H](C[C@H](O)C=Cc1c(nc2ccccc2c1c3ccc(F)cc3)C4CC4)CC(=O)[O-].O[C@H](C[C@H](O)C=Cc5c(nc6ccccc6c5c7ccc(F)cc7)C8CC8)CC(=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Pitavastatin calcium (Livalo)",HMS3884M08,s1759,CCG-270551,CCG270551,SW222228-1,SW2222281,Q27166402,S1759,"Pitavastatin Calcium"}

> <pdid>

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{132803}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 60 65  0  0  1  0            999 V2000
    3.2068   -5.7810    0.0000 C   0  0
    2.2448   -4.6301    0.0000 O   0  0
    2.7600   -3.2200    0.0000 C   0  0  1  0  0  0
    4.0400   -2.4900    0.0000 C   0  0
    4.0400   -1.0400    0.0000 C   0  0  1  0  0  0
    4.7600    0.2300    0.0000 O   0  0
    3.4900    0.9500    0.0000 C   0  0
    2.7600   -0.3100    0.0000 C   0  0  2  0  0  0
    3.9139    0.6592    0.0000 O   0  0
    3.6492    2.1365    0.0000 C   0  0
    2.2381    2.6452    0.0000 C   0  0
    4.7950    3.1046    0.0000 O   0  0
    1.4900   -1.0400    0.0000 C   0  0  1  0  0  0
    0.2100   -0.3100    0.0000 C   0  0  2  0  0  0
    0.2081    1.1912    0.0000 O   0  0
    1.5064    1.9441    0.0000 C   0  0
    2.8067    1.1962    0.0000 O   0  0
    1.5045    3.4449    0.0000 C   0  0
    2.8011    4.1993    0.0000 C   0  0
    2.7961    5.6993    0.0000 C   0  0
    1.4946    6.4450    0.0000 C   0  0
    0.1980    5.6907    0.0000 C   0  0
    0.2030    4.1907    0.0000 C   0  0
   -1.0600   -1.0400    0.0000 C   0  0  2  0  0  0
   -1.0600    0.4600    0.0000 O   0  0
   -2.3300   -0.3100    0.0000 C   0  0
   -3.6100   -1.0400    0.0000 C   0  0  2  0  0  0
   -4.9097   -0.2889    0.0000 O   0  0
   -6.2103   -1.0379    0.0000 C   0  0
   -6.2115   -2.5379    0.0000 O   0  0
   -7.5097   -0.2869    0.0000 C   0  0  2  0  0  0
   -7.5086    1.2131    0.0000 O   0  0
   -8.8103   -1.0359    0.0000 C   0  0  1  0  0  0
  -10.1074   -0.2810    0.0000 N   0  0
  -10.1032    1.2199    0.0000 C   0  0
   -8.8018    1.9658    0.0000 O   0  0
  -11.4003    1.9748    0.0000 O   0  0
  -11.3961    3.4756    0.0000 C   0  0
  -12.6925    4.2301    0.0000 C   0  0
  -10.0947    4.2215    0.0000 C   0  0
  -11.3911    4.9756    0.0000 C   0  0
   -8.8129   -2.5367    0.0000 C   0  0
  -10.1117   -3.2872    0.0000 C   0  0
  -10.1112   -4.7872    0.0000 C   0  0
   -8.8120   -5.5368    0.0000 C   0  0
   -7.5132   -4.7864    0.0000 C   0  0
   -7.5136   -3.2864    0.0000 C   0  0
   -3.6100   -2.4900    0.0000 C   0  0
   -2.3300   -3.2200    0.0000 C   0  0
   -1.0600   -2.4900    0.0000 C   0  0  1  0  0  0
   -0.0974   -1.3380    0.0000 O   0  0
    1.3805   -1.5945    0.0000 C   0  0
    0.2100   -3.2200    0.0000 C   0  0
    0.2075   -4.7200    0.0000 O   0  0
    1.4900   -2.4900    0.0000 C   0  0  2  0  0  0
    1.4875   -3.9900    0.0000 C   0  0
   -2.0200    0.2800    0.0000 C   0  0
   -0.9882    1.3687    0.0000 C   0  0
   -3.4648    0.6831    0.0000 C   0  0
   -4.9070   -3.2434    0.0000 C   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  5  1  0
  8  9  1  1
  9 10  1  0
 10 11  1  0
 10 12  2  0
 13  8  1  6
 13 14  1  0
 14 15  1  1
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 14 24  1  0
 24 25  1  1
 24 26  1  0
 26 27  1  0
 27 28  1  1
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  1
 31 33  1  0
 33 34  1  6
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
 38 41  1  0
 33 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 42  1  0
 27 48  1  0
 48 49  2  3
 49 50  1  0
 50 51  1  1
 51 52  1  0
 50 53  1  0
 53 54  2  0
 53 55  1  0
 55  3  1  0
 55 13  1  0
 55 56  1  6
 49 57  1  0
 57 24  1  0
 57 58  1  0
 57 59  1  0
 48 60  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15565

> <plate>
PLATE 004

> <well>
C11

> <supplier_cmpd_name>
Cabazitaxel

> <ctcr_id>
571

> <supplier_cmpd_id>
T2543

> <smiles>
CO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](OC)C(=O)[C@]13C)C5(C)C)C

> <pd_targets>
{TUBB5,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8}

> <pathway_gtopdb>
{"Structural protein"}

> <pathway_chembl>
{"Other protein targets",Tubulins}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Mitotic G2-G2/M phases","M Phase","G2/M Transition","Mitotic Metaphase and Anaphase","Centrosome maturation","Mitotic Anaphase","Loss of proteins required for interphase microtu
bule organization from the centrosome","Nuclear Envelope (NE) Reassembly","Loss of Nlp from mitotic centrosomes","Sealing of the nuclear envelope (NE) by ESCRT-III"}

> <broad_targets>
{TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3D,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8}

> <broad_moa>
{"microtubule inhibitor"}

> <synonyms>
{CABAZITAXEL,183133-96-2,183133962,Jevtana,"Taxoid XRP6258",Cabazitaxelum,"TXD 258",Xrp6258,XRP-6258,XRP6258,UNII-51F690397J,UNII51F690397J,"XRP 6258","Jevtana (TN)",CHEBI:63584,51F690397J,kabazitaxel
,"Jevtana Kit","Cabazitaxel (Jevtana)","cabazitaxel acetonate","Cabazitaxel I",761432,"NSC 761432",Cabazitaxel}

> <pdid>
PD004087

> <targets>
{}

> <classes>
{"Microtubule inhibitor"}

> <pubchem_cids>
{9854073}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    7.6994    4.5206    0.0000 C   0  0
    6.1994    4.5163    0.0000 N   0  0
    5.3212    3.3003    0.0000 N   0  0
    3.8941    3.7597    0.0000 C   0  0
    2.5972    3.0060    0.0000 C   0  0
    1.2961    3.7523    0.0000 C   0  0
    1.2918    5.2523    0.0000 C   0  0
    2.5887    6.0060    0.0000 C   0  0
    3.8898    5.2597    0.0000 C   0  0
    5.3143    5.7273    0.0000 C   0  0
    5.7736    7.1552    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -0.0014    1.5008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 N   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -5.1977    2.9828    0.0000 N   0  0
   -5.1903    1.4820    0.0000 C   0  0
   -6.4841    0.7230    0.0000 C   0  0
   -6.4738   -0.7770    0.0000 C   0  0
   -5.1696   -1.5180    0.0000 C   0  0
   -5.1592   -3.0180    0.0000 C   0  0
   -3.8757   -0.7590    0.0000 C   0  0
   -3.8861    0.7409    0.0000 C   0  0
   -2.5708   -1.5004    0.0000 S   0  0
   -1.2773   -0.7410    0.0000 N   0  0
   -2.5595   -3.0004    0.0000 O   0  0
   -1.2663   -2.2408    0.0000 O   0  0
   -2.6005    2.9949    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  4  1  0
  9 10  2  0
 10  2  1  0
 10 11  1  0
  6 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 20  1  0
 25 27  1  0
 27 28  1  0
 27 29  2  0
 27 30  2  0
 18 31  2  0
 31 14  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15566

> <plate>
PLATE 004

> <well>
D2

> <supplier_cmpd_name>
Pazopanib

> <ctcr_id>
2306

> <supplier_cmpd_id>
T0097L

> <smiles>
Cn1nc2cc(ccc2c1C)N(C)c3ccnc(Nc4ccc(C)c(c4)[S](N)(=O)=O)n3

> <pd_targets>
{RET,ABL1,ABL2,JAK3,MAPK10,DDR2,LCK,EIF2AK2,PTK6,RAF1,MAP4K2,FGR,FYN,MYLK2,ROS1,STK36,PLK4,MAP2K4,EPHB6,FGFR3,MAP3K11,TXK,LIMK1,MAP3K10,CAMK1G,LIMK2,STK10,KIT,FLT4,FGFR1,FLT1,CDK16,PDGFRB,FRK,TNIK,MAP
K8,NEK2,DDR1,TGFBR2,KDR,MAP4K1,MAP4K3,BMP2K,MAP2K6,CDK11A,MAP3K9,LYN,FLT3,PI4KB,RIPK1,BLK,AURKC,SIK1,TIE1,ACHE,IGF1R,JAK2,GAK,RIOK2,ALK,FER,FGFR2,RIPK2,BRAF,CAMK1,NLK,TTK,PDGFRA,AAK1,ACVR2B,FGFR4,YES1
,MAP3K2,SYK,PTK2,EGFR,CSF1R,CDPK1,MERTK,STK16,MAP4K4,MAP4K5,CDK11B,PIP5K1C,PIP4K2C,MAP3K19,IRAK3,MET,BMPR1B,CDK7,TNK1,TAOK3,TAOK2,MAPK9,FES,HCK,TAOK1,LTK,IRAK1,TYK2,AURKA,TEK,MARK3,AURKB,MAP3K1,MAP2K5
,SRC,SRMS,SIK2,SLK,TNK2,NEK5,ABCB11,ABCC4,ITK,FGF1,SH2B3}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transporter,"Secreted protein",Kinase,Transferase,Hydrolase,"Primary active transporter","Protein Kinase","ATP-binding cassette","TK protein kinase group","CMGC protein 
kinase group","Other protein kinase group","TKL protein kinase group","STE protein kinase group","CAMK protein kinase group","Atypical protein kinase group","ABCB subfamily","ABCC subfamily","Tyrosine
 protein kinase Ret family","Tyrosine protein kinase Abl family","Tyrosine protein kinase JakA family","CMGC protein kinase MAPK family","Tyrosine protein kinase DDR family","Tyrosine protein kinase S
rc family","Other protein kinase PEK family","TKL protein kinase RAF family","STE protein kinase STE20 family","CAMK protein kinase MLCK family","Tyrosine protein kinase Sev family","Other protein kin
ase ULK family","Other protein kinase PLK family","STE protein kinase STE7 family","Tyrosine protein kinase FGFR family","TKL protein kinase MLK family","Tyrosine protein kinase Tec family","TKL prote
in kinase LISK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase VEGFR family","CMGC protein kinase CDK family","Other protein kinase NEK famil
y","TKL protein kinase STKR family","Other protein kinase NAK family","TKL protein kinase RIPK family","Other protein kinase AUR family","Tyrosine protein kinase Tie family","Tyrosine protein kinase I
nsR family","Atypical protein kinase RIO family","Tyrosine protein kinase Fer family","Other protein kinase TTK family","STE protein kinase STE11 family","Tyrosine protein kinase Syk family","Tyrosine
 protein kinase Fak family","Tyrosine protein kinase Axl family","TKL protein kinase IRAK family","Tyrosine protein kinase Met family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Alk
 family","CMGC protein kinase JNK subfamily","Other protein kinase PKR","STE protein kinase KHS subfamily","Tyrosine protein kinase SrcA","TKL protein kinase MLK subfamily","TKL protein kinase LIMK su
bfamily","STE protein kinase SLK subfamily","CMGC protein kinase TAIRE subfamily","STE protein kinase MSN subfamily","TKL protein kinase STKR Type 2 subfamily","CMGC protein kinase PITSLRE subfamily",
"CAMK protein kinase QIK subfamily","Atypical protein kinase RIO2 subfamily","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase nmo subfamily","STE protein kinase MEKK2","CMGC protein kin
ase CDK7 subfamily","STE protein kinase TAO subfamily","CAMK protein kinase MARK subfamily","Tyrosine protein kinase Srm"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)","Acetylcholine turnover","ATP-binding cassette transporter family","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK
 families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kinases","Lipid modifying kinases",Atypical,"ABCB subfamily","ABCC subfamily
","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Other protein kinases","TKL: Tyrosine kinase-like","STE20 family","Myosin Light Chain Kinase (MLCK) family","STE7 family","CA
MK1 family","Cyclin-dependent kinase (CDK) family","1-phosphatidylinositol 4-kinase family","CAMK-like (CAMKL) family","RIO family","STE11 family","Type I PIP kinases (1-phosphatidylinositol-4-phospha
te 5-kinase family)","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","JNK subfamily","PEK family",
"RAF family","KHS subfamily","Unc-51-like kinase (ULK) family","Polo-like kinase (PLK) family","Mixed Lineage Kinase (MLK) family","LIM domain kinase (LISK) family","SLK subfamily","TAIRE subfamily","
MSN subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","Receptor serine/threonine kinase (RSTK) family","Numb-associated kinase (NAK) family","PITSLRE subfamily","Receptor intera
cting protein kinase (RIPK) family","Aurora kinase (Aur) family","QIK subfamily","RIO2 subfamily","nmo subfamily","TTK family","NAK family","STE20 subfamily","Interleukin-1 receptor-associated kinase 
(IRAK) family","CDK7 subfamily","TAO subfamily","MARK subfamily","Type XIV RTKs: RET","Abl family","Janus kinase (JakA) family","Type XVI RTKs: DDR (collagen receptor) family","Src family","Other PEK 
family kinases","Type XVII RTKs: ROS receptors","Type XIII RTKs: Ephrin receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","MLK subfamily","Tec family","LIMK subfamily","Ty
pe III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type II receptor serine/threonine kinases","Type XII RTKs: TIE family of 
angiopoietin receptors","Type II RTKs: Insulin receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Fer family","Syk family","Fak family","Type XI RTKs: TAM (TYRO3-","AXL
- and MER-TK) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type I receptor serine/threonine kinases","Ack family"}

> <pathway_reactome>
{"Developmental Biology",Disease,"Immune System","Extracellular matrix organization","Cell Cycle","Signal Transduction","Cellular responses to external stimuli","Gene expression (Transcription)",Metab
olism,"Circadian Clock","Vesicle-mediated transport","Metabolism of RNA","Neuronal System",Hemostasis,"Nervous system development","Infectious disease","Cytokine Signaling in Immune system","Innate Im
mune System","Non-integrin membrane-ECM interactions",Mitotic,"MAPK family signaling cascades","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor
 Tyrosine Kinases","Intracellular signaling by second messengers","Cellular responses to stress","RNA Polymerase II Transcription","Metabolism of lipids","Membrane Trafficking","rRNA processing","Tran
smission across Chemical Synapses","Signaling by WNT","Signaling by NODAL","Cell surface interactions at the vascular wall","Signaling by TGFB family members","Signaling by Non-Receptor Tyrosine Kinas
es","Platelet activation","signaling and aggregation","Adaptive Immune System","Axon guidance","Leishmania infection","Signaling by Interleukins","Toll-like Receptor Cascades","HIV Infection","Influen
za Infection","Mitotic G1 phase and G1/S transition","MAPK1/MAPK3 signaling","Mitotic G2-G2/M phases","Signaling by FGFR in disease","Oncogenic MAPK signaling","Fc epsilon receptor (FCERI) signaling",
"Neutrophil degranulation","Signaling by KIT in disease","Signaling by VEGF","PIP3 activates AKT signaling","Cellular Senescence","Regulation of mitotic cell cycle","Signaling by TGF-beta Receptor Com
plex in Cancer","Generic Transcription Pathway","Signaling by Insulin receptor","Phospholipid metabolism","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","trans-Golgi Network Vesic
le Budding","rRNA processing in the nucleus and cytosol","Signaling by SCF-KIT","Signaling by NTRKs","Neurotransmitter receptors and postsynaptic signal transmission","Beta-catenin independent WNT sig
naling","Signaling by PDGFR in disease","Clathrin-mediated endocytosis","Regulation of signaling by NODAL","Signaling by FGFR","Signaling by BMP","M Phase","Interferon Signaling","Signaling by PTK6","
Metabolism of steroids","Response to elevated platelet cytosolic Ca2+","TCR signaling","FLT3 Signaling","RET signaling","Parasite infection","Signaling by ROBO receptors","Interleukin-2 family signali
ng","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","NS1 Mediated Effects on Host Pathways","G1 Phase","RAF/MAP kinase cascade","Leishmania parasite growth and survival","G2/M
 Transition","EPH-Ephrin signaling","Signaling by FGFR3 in disease","Signaling by RAS mutants","FCERI mediated Ca+2 mobilization","Semaphorin interactions","Drug resistance of KIT mutants","VEGF ligan
d-receptor interactions","Signaling by FGFR1 in disease","Negative regulation of the PI3K/AKT network","PTEN Regulation","Oxidative Stress Induced Senescence","APC/C-mediated degradation of cell cycle
 proteins","Loss of Function of SMAD2/3 in Cancer","VEGFA-VEGFR2 Pathway","Transcriptional Regulation by TP53","Insulin receptor signalling cascade","PI Metabolism","Toll Like Receptor 4 (TLR4) Cascad
e","Transcriptional regulation by RUNX1","Glycerophospholipid biosynthesis","IGF1R signaling cascade","Golgi Associated Vesicle Biogenesis","Major pathway of rRNA processing in the nucleolus and cytos
ol","Signaling by FGFR2 in disease","Signaling by NTRK1 (TRKA)","Activation of NMDA receptors and postsynaptic events","Ca2+ pathway","Drug resistance of PDGFR mutants","Cargo recognition for clathrin
-mediated endocytosis","Signaling by FGFR4","Transcriptional Regulation by VENTX","Toll Like Receptor 2 (TLR2) Cascade","HIV Life Cycle","Mitotic Metaphase and Anaphase","Interferon alpha/beta signali
ng","PTK6 Down-Regulation","Bile acid and bile salt metabolism","Platelet degranulation","Generation of second messenger molecules","Negative regulation of FLT3","Leishmania phagocytosis","Role of ABL
 in ROBO-SLIT signaling","Interleukin-15 signaling","MyD88 cascade initiated on plasma membrane","The role of Nef in HIV-1 replication and disease pathogenesis","Inhibition of PKR","Cyclin D associate
d events in G1","Negative regulation of MAPK pathway","Anti-inflammatory response favouring Leishmania parasite infection","Centrosome maturation","EPHB-mediated forward signaling","Signaling by FGFR3
 point mutants in cancer","Signaling downstream of RAS mutants","Sema4D in semaphorin signaling","Dasatinib-resistant KIT mutants","VEGF binds to VEGFR leading to receptor dimerization","FGFR1 mutant 
receptor activation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Regulation of PTEN stability and activity","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","SMAD2/
3 Phosphorylation Motif Mutants in Cancer","VEGFR2 mediated cell proliferation","Regulation of TP53 Activity","IRS-mediated signalling","Synthesis of PIPs at the Golgi membrane","MyD88-independent TLR
4 cascade","RUNX1 regulates transcription of genes involved in BCR signaling","Synthesis of PC","IRS-related events triggered by IGF1R","FGFR2 mutant receptor activation","Signalling to ERKs","Post NM
DA receptor activation events","Imatinib-resistant PDGFR mutants","Downstream signaling of activated FGFR4","SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion","Toll Like Receptor TLR6
:TLR2 Cascade","Late Phase of HIV Life Cycle","CRMPs in Sema3A signaling","Mitotic Anaphase","Regulation of IFNA signaling","Signalling to ERK5","Synthesis of bile acids and bile salts","FCGR3A-mediat
ed phagocytosis","MAP kinase activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Negative feedback regulation of MAPK pathway","FCGR3A-mediate
d IL10 synthesis","Nef and signal transduction","Loss of proteins required for interphase microtubule organization from the centrosome","FGFR3 mutant receptor activation","Sema4D induced cell migratio
n and growth-cone collapse","Signaling by activated point mutants of FGFR1","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity through Acetylation","Recruitment of mit
otic centrosome proteins and complexes","PI3K Cascade","TRIF(TICAM1)-mediated TLR4 signaling","Activated point mutants of FGFR2","Prolonged ERK activation events","Activation of RAC1 downstream of NMD
ARs","FRS-mediated FGFR4 signaling","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Sema4D mediated inhibition of cell attachment and migration","Transcription of the HIV genome","Separation 
of Sister Chromatids","Regulation of TP53 Activity through Phosphorylation","Signalling to RAS","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAPK targets/ Nuclear events med
iated by MAP kinases","Nef Mediated CD4 Down-regulation","Loss of Nlp from mitotic centrosomes","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Signaling by act
ivated point mutants of FGFR3","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","PI5P Regulates TP53 Acetylation","IKK complex recruitment medi
ated by RIP1","activated TAK1 mediates p38 MAPK activation","ARMS-mediated activation","HIV Transcription Elongation","p38MAPK events","Activation of the AP-1 family of transcription factors","APC-Cdc
20 mediated degradation of Nek2A","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{CSF1R,FGF1,FGFR1,FGFR3,FLT1,FLT4,ITK,KDR,KIT,PDGFRA,PDGFRB,SH2B3}

> <broad_moa>
{"KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor","VEGFR inhibitor"}

> <synonyms>
{Pazopanib,444731-52-6,444731526,GW786034,UNII-7RN5DR86CK,UNII7RN5DR86CK,"Pazopanib (GW-786034)","Pazopanib (GW786034)","GW 786034",790713-33-6,790713336,7RN5DR86CK,"GW 78603",CHEBI:71219,MFCD11616589
,NCGC00188865-01,NCGC0018886501,DSSTox_CID_28659,DSSToxCID28659,DSSTox-CID-28659,"DSSTox CID 28659",DSSTox_RID_82929,DSSToxRID82929,DSSTox-RID-82929,"DSSTox RID 82929",DSSTox_GSID_48733,DSSToxGSID4873
3,DSSTox-GSID-48733,"DSSTox GSID 48733",GW-786034,C21H23N7O2S,CAS-444731-52,CAS44473152,T0097L,SY-Pazopanib,"Pazopanib (GW786034, Votrient)",PAZOPANIB}

> <pdid>
PD003339

> <targets>
{VEGFR,"VEGFR KIT PDGFR"}

> <classes>
{}

> <pubchem_cids>
{10113978}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 18  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Br  0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -1.3101    6.7502    0.0000 N   0  0
   -2.6024    2.9967    0.0000 C   0  0
   -3.9001    2.2444    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11  5  1  0
 11 12  1  0
  7 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  3  0
 14 17  1  0
 17 18  3  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15567

> <plate>
PLATE 004

> <well>
D3

> <supplier_cmpd_name>
AG1024

> <ctcr_id>
6612

> <supplier_cmpd_id>
T2693

> <smiles>
CC(C)(C)c1cc(cc(Br)c1O)C=C(C#N)C#N

> <pd_targets>
{IGF1R,CISD1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase InsR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","IGF1R signaling cascade","IRS-related events triggered by IGF1R"}

> <broad_targets>
{IGF1R}

> <broad_moa>
{"insulin growth factor receptor inhibitor"}

> <synonyms>
{567807,65678-07-1,65678071,ag1024,AG-1024,AG1024,"Tyrphostin AG 1024","AG 1024",2-(3-bromo-5-tert-butyl-4-hydroxybenzylidene)malononitrile,2(3bromo5tertbutyl4hydroxybenzylidene)malononitrile,2-(3-Bro
mo-5-(tert-butyl)-4-hydroxybenzylidene)malononitrile,2(3Bromo5(tertbutyl)4hydroxybenzylidene)malononitrile,2-((3-bromo-5-tert-butyl-4-hydroxyphenyl)methylidene)propanedinitri,2((3bromo5tertbutyl4hydro
xyphenyl)methylidene)propanedinitri,T2693,"EMD 121767",121767}

> <pdid>
PD011045

> <targets>
{Apoptosis,IGF-1R,Insulin Receptor}

> <classes>
{Apoptosis,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{2044}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 33  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -6.5025   -0.7576    0.0000 O   0  0
   -7.8026   -1.5057    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -9.0967    3.7462    0.0000 C   0  0
   -9.0947    5.2471    0.0000 N   0  0
  -10.3929    6.0001    0.0000 C   0  0
  -10.3908    7.5009    0.0000 C   0  0
  -11.6890    8.2540    0.0000 C   0  0
  -11.6891    9.7540    0.0000 C   0  0
  -12.9881   10.5040    0.0000 C   0  0
  -12.9851   12.0048    0.0000 O   0  0
  -11.6850   12.7530    0.0000 C   0  0
  -14.2872    9.7540    0.0000 C   0  0
  -15.5885   10.5017    0.0000 O   0  0
  -16.8865    9.7499    0.0000 C   0  0
  -14.2872    8.2540    0.0000 C   0  0
  -12.9881    7.5040    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.0987    5.6236    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  2  0
 27 18  1  0
 13 28  1  0
 28 29  2  0
 29  8  1  0
  5 30  1  0
 30 31  2  0
 31  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15568

> <plate>
PLATE 004

> <well>
D4

> <supplier_cmpd_name>
SBE 13 hydrochloride

> <ctcr_id>
11415

> <supplier_cmpd_id>
T2271

> <smiles>
Clc1ncc(COc2c(OC)cc(CNCCc3cc(OC)c(OC)cc3)cc2)cc1.Cl

> <pd_targets>
{FTL}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Vesicle-mediated transport","Membrane Trafficking","trans-Golgi Network Vesicle Budding","Golgi Associated Vesicle Biogenesis"}

> <broad_targets>
{PLK1}

> <broad_moa>
{"PLK inhibitor"}

> <synonyms>
{1052532-15-6,1052532156,"SBE13 hydrochloride","SBE 13 hydrochloride","SBE 13 HCl","SBE13 (Hydrochloride)","SBE-13 HCl","SBE13 HCl",MLS000538104,C24H27ClN2O4.ClH,"SBE-13 HCl;SBE13 HCl","SBE13 HCl;SBE1
3 HCl",CHEMBL1584055,SCHEMBL18797681,AOB6814,DTXSID10474576,EX-A81,EXA81,T2271}

> <pdid>
PD070066

> <targets>
{"Polo-like Kinase",PLK1,PLK2,PLK3,Apoptosis,Autophagy,"Polo-like Kinase (PLK)"}

> <classes>
{Cell Cycle/Checkpoint,Apoptosis,Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{11948807}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.5532   -4.4223    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
    0.6929   -4.0817    0.0000 C   0  0
    2.1742   -4.0242    0.0000 C   0  0
    2.6753   -5.4380    0.0000 C   0  0
    4.1136   -5.8636    0.0000 O   0  0
    1.4855   -6.3514    0.0000 N   0  0
    0.2491   -5.5022    0.0000 C   0  0
   -1.1685   -5.9926    0.0000 O   0  0
    1.5252   -7.8509    0.0000 C   0  0
    3.0145   -2.7838    0.0000 N   0  0
    4.5115   -2.8904    0.0000 C   0  0
    5.3531   -1.6477    0.0000 C   0  0
    6.8502   -1.7544    0.0000 C   0  0
    7.6932   -0.5136    0.0000 C   0  0
    9.1892   -0.6232    0.0000 C   0  0
    9.8423   -1.9736    0.0000 C   0  0
    8.9993   -3.2144    0.0000 C   0  0
    7.5034   -3.1048    0.0000 C   0  0
   11.3382   -2.0832    0.0000 F   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10  5  1  0
  7 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
 15 18  1  0
 12 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 25 28  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15569

> <plate>
PLATE 004

> <well>
D5

> <supplier_cmpd_name>
IM-12

> <ctcr_id>
11416

> <supplier_cmpd_id>
T2261

> <smiles>
c1cccc2c1c(c(C)[nH]2)C1=C(C(=O)N(C1=O)C)NCCc1ccc(cc1)F

> <pd_targets>
{GSK3B}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase GSK family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Glycogen synthase kinase (GSK) family","GSK subfamily"}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","SARS-CoV-1 Infection","SARS-CoV-1 Genome Replication and Transcription","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{M1,IM-12,IM12,1129669-05-1,1129669051,"IM 12",CHEMBL1254896,GTPL8017,SCHEMBL17378682,AOB4090,DTXSID20649091,CHEBI:125616,HMS3653F15,BCP10769,EX-A2071,EXA2071,2472AH,BDBM50326901,s7566,ZINC59086693,AK
OS026750397,CCG-208085,CCG208085,CS-3399,CS3399,SB19269,NCGC00386352-05,NCGC0038635205,AC-32946,AC32946,AK547017,AS-5,AS5,T2261}

> <pdid>
PD010278

> <targets>
{GSK-3,GSK-3¦Â}

> <classes>
{"PI3K/Akt/mTOR signaling","Stem Cells"}

> <pubchem_cids>
{25209788}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.2948   -3.7517    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8934   -5.2570    0.0000 C   0  0
   -5.1924   -6.0071    0.0000 C   0  0
   -6.4914   -5.2571    0.0000 C   0  0
   -6.4915   -3.7571    0.0000 C   0  0
   -5.1925   -3.0071    0.0000 C   0  0
   -7.7912   -3.0068    0.0000 C   0  0
   -9.0915   -3.7547    0.0000 C   0  0
  -10.3894   -3.0027    0.0000 C   0  0
  -10.3870   -1.5027    0.0000 N   0  0
   -9.0868   -0.7547    0.0000 C   0  0
   -7.7889   -1.5067    0.0000 C   0  0
  -11.6896   -3.7506    0.0000 F   0  0
   -2.5952   -6.0101    0.0000 O   0  0
   -2.5973   -7.5110    0.0000 C   0  0
   -1.2991   -8.2641    0.0000 C   0  0
   -1.2991   -9.7641    0.0000 C   0  0
   -0.0001  -10.5141    0.0000 C   0  0
    1.2990   -9.7642    0.0000 C   0  0
    1.2991   -8.2642    0.0000 C   0  0
    0.0000   -7.5141    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 18 22  1  0
 11 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15570

> <plate>
PLATE 004

> <well>
D6

> <supplier_cmpd_name>
GSK2578215A

> <ctcr_id>
11417

> <supplier_cmpd_id>
T2240

> <smiles>
c1cncc(c1)NC(=O)c1c(ccc(c1)c1cc(ncc1)F)OCc1ccccc1

> <pd_targets>
{LRRK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","TKL protein kinase LRRK family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TKL: Tyrosine kinase-like","Leucine-rich repeat kinase (LRRK) family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Non-Receptor Tyrosine Kinases","Signaling by PTK6","PTK6 promotes HIF1A stabilization"}

> <broad_targets>
{LRRK2}

> <broad_moa>
{"leucine rich repeat kinase inhibitor"}

> <synonyms>
{GSK2578215A,1285515-21-0,1285515210,GSK-2578215A,2-(benzyloxy)-5-(2-fluoropyridin-4-yl)-N-(pyridin-3-yl)benzamide,2(benzyloxy)5(2fluoropyridin4yl)N(pyridin3yl)benzamide,"LRRK2-kinase inhibitor","LRRK
2kinase inhibitor",UNII-Q641JSF42X,UNIIQ641JSF42X,"Benzamide, 5-(2-fluoro-4-pyridinyl)-2-(phenylmethoxy)-N-3-pyridinyl-","Benzamide, 5(2fluoro4pyridinyl)2(phenylmethoxy)N3pyridinyl",Q641JSF42X,CHEMBL2
204495,5-(,5(,T2240}

> <pdid>
PD012768

> <targets>
{"RIP kinase family","LRRK2 (G2019S)","LRRK2 (WT)",Autophagy,LRRK2,Mitophagy}

> <classes>
{Autophagy}

> <pubchem_cids>
{68107965}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 N   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -0.0103    7.5017    0.0000 C   0  0
    1.2863    8.2560    0.0000 O   0  0
   -1.3123    8.2482    0.0000 N   0  0
   -1.3178    9.7490    0.0000 C   0  0
   -2.6198   10.4955    0.0000 C   0  0
   -2.6252   11.9955    0.0000 C   0  0
   -3.9214   11.2409    0.0000 C   0  0
   -3.9163    9.7412    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -4.5642   -5.0103    0.0000 C   0  0
   -5.3141   -3.7112    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
  4 19  2  0
 19 20  1  0
 20 21  2  0
 21  2  1  0
 20 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 25  1  0
  3 28  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15571

> <plate>
PLATE 004

> <well>
D7

> <supplier_cmpd_name>
Losmapimod

> <ctcr_id>
11418

> <supplier_cmpd_id>
T2277

> <smiles>
Fc1c(c(c2ncc(cc2)C(=O)NCC(C)(C)C)cc(c1)C(=O)NC1CC1)C

> <pd_targets>
{MAPK14,CYP2C9,MAPK11,MAPK13,MAPK12}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 2","CMGC protein kinase group","Cytochrome P450 family 2C","CMGC protein kinase MAPK family","Cytochrome P450 2C9","CMGC prote
in kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Cytochrome P450","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP2 family: drug metabolising subset","Mitogen-activated protein kinases (MAP kinases)","p38 subfami
ly"}

> <pathway_reactome>
{"Immune System",Metabolism,"Signal Transduction","Innate Immune System","Biological oxidations","Signaling by Receptor Tyrosine Kinases","Toll-like Receptor Cascades","Phase I - Functionalization of 
compounds","Signaling by NTRKs","Toll Like Receptor 5 (TLR5) Cascade","Cytochrome P450 - arranged by substrate type","Signaling by NTRK1 (TRKA)","MyD88 cascade initiated on plasma membrane",Xenobiotic
s,"Signalling to ERKs","MAP kinase activation","CYP2E1 reactions","Signalling to RAS","MAPK targets/ Nuclear events mediated by MAP kinases","p38MAPK events","Activation of the AP-1 family of transcri
ption factors"}

> <broad_targets>
{MAPK14}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{Losmapimod,585543-15-3,585543153,GSK-AHAB,GSKAHAB,GW856553,GW856553X,"Losmapimod (GW856553X)",GW-856553,UNII-F2DQF16BXE,UNIIF2DQF16BXE,F2DQF16BXE,GSK-AHAB;GW856553X;SB856553,GSKAHAB;GW856553X;SB85655
3,"Losmapimod (USAN:INN)","GW 856553X","SB 856553","Losmapimod (USAN/INN)",GTPL7835,SCHEMBL107040,T2277}

> <pdid>
PD010391

> <targets>
{"p38 MAPK",p38¦Á,p38¦Â,Autophagy}

> <classes>
{MAPK,Autophagy,MAPK/ERK Pathway}

> <pubchem_cids>
{11552706}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 42 47  0  0  0  0            999 V2000
    4.9573   -8.7775    0.0000 C   0  0
    4.4162   -7.3785    0.0000 O   0  0
    2.9334   -7.1466    0.0000 C   0  0
    1.9941   -8.3161    0.0000 C   0  0
    0.5116   -8.0874    0.0000 C   0  0
   -0.0316   -6.6892    0.0000 C   0  0
    0.9077   -5.5197    0.0000 C   0  0
    2.3903   -5.7483    0.0000 C   0  0
    3.3277   -4.5763    0.0000 N   0  0
    2.7822   -3.1780    0.0000 C   0  0
    3.7175   -2.0053    0.0000 N   0  0
    3.1695   -0.6090    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 N   0  0
    2.5242    2.0130    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.0000    3.2286    0.0000 O   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.4523    2.0983    0.0000 C   0  0
   -3.8856    1.6561    0.0000 C   0  0
   -4.2194    0.1937    0.0000 C   0  0
   -3.1198   -0.8265    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 N   0  0
   -1.4008   -2.9088    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.2990   -2.9545    0.0000 N   0  0
   -0.4306   -9.2556    0.0000 C   0  0
    0.1101  -10.6547    0.0000 O   0  0
   -1.9135   -9.0247    0.0000 N   0  0
   -2.8570  -10.1909    0.0000 C   0  0
   -4.3386   -9.9571    0.0000 C   0  0
   -4.8770   -8.5570    0.0000 C   0  0
   -3.9336   -7.3908    0.0000 C   0  0
   -2.4520   -7.6246    0.0000 C   0  0
   -6.3594   -8.3231    0.0000 N   0  0
   -7.3047   -9.4878    0.0000 C   0  0
   -8.7860   -9.2516    0.0000 C   0  0
   -9.3221   -7.8507    0.0000 N   0  0
  -10.8034   -7.6145    0.0000 C   0  0
   -8.3769   -6.6860    0.0000 C   0  0
   -6.8956   -6.9221    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 13  1  0
 26 27  2  0
 27 10  1  0
  5 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 30  1  0
 33 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 42 36  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15572

> <plate>
PLATE 004

> <well>
D8

> <supplier_cmpd_name>
LRRK2-IN-1

> <ctcr_id>
8329

> <supplier_cmpd_id>
T2246

> <smiles>
COc1cc(ccc1Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)C(=O)N5CCC(CC5)N6CCN(C)CC6

> <pd_targets>
{LRRK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","TKL protein kinase LRRK family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TKL: Tyrosine kinase-like","Leucine-rich repeat kinase (LRRK) family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Non-Receptor Tyrosine Kinases","Signaling by PTK6","PTK6 promotes HIF1A stabilization"}

> <broad_targets>
{LRRK2}

> <broad_moa>
{"leucine rich repeat kinase inhibitor"}

> <synonyms>
{RRK2IN,LRRK2-IN-1,LRRK2IN1,1234480-84-2,1234480842,LRRK-2IN1,LRRK2-IN1,CHEMBL2012582,CHEBI:78413,4K4,"LRRK2-IN 1","LRRK2IN 1",LRRK2-TN-1,LRRK2TN1,MLS003230940,SCHEMBL616761,GTPL9396,DTXSID70676751,EX
-A644,EXA644,C31H38N8O3,HMS3265O17,HMS3265O18,HMS3265P17,HMS3265P18,BCP14860,3787AH,ABP0010,T2246,4273}

> <pdid>
PD003580

> <targets>
{"RIP kinase family"}

> <classes>
{}

> <pubchem_cids>
{46843906}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Br  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    0.0072   -7.5017    0.0000 C   0  0
    0.0095   -9.0017    0.0000 N   0  0
    1.3026   -5.2488    0.0000 C   0  0
    2.6028   -5.9967    0.0000 O   0  0
    1.3002   -3.7488    0.0000 N   0  0
   -2.5939   -6.0054    0.0000 C   0  0
   -3.8955   -5.2596    0.0000 C   0  0
   -5.1921   -6.0137    0.0000 C   0  0
   -5.1873   -7.5137    0.0000 C   0  0
   -3.8859   -8.2595    0.0000 C   0  0
   -2.5893   -7.5054    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  3  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17  9  1  0
 11 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15573

> <plate>
PLATE 004

> <well>
D9

> <supplier_cmpd_name>
TCS PIM-1 1

> <ctcr_id>
2412

> <supplier_cmpd_id>
T2253

> <smiles>
Oc1ccc(Br)cc1C2=CC(=C(C#N)C(=O)N2)c3ccccc3

> <pd_targets>
{PIM1,BIRC5}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase PIM family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Kinases (EC 2.7.x.x)","Inhibitors of apoptosis (IAP) protein family","CAMK: Calcium/calmodulin-dependent protein kinases","PIM family"}

> <pathway_reactome>
{Disease,"Cell Cycle","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"FLT3 signaling in disease","M Phase","Signaling by FLT3 ITD and TKD mutants","Mitotic 
Metaphase and Anaphase","STAT5 activation downstream of FLT3 ITD mutants","Mitotic Anaphase","Separation of Sister Chromatids"}

> <broad_targets>
{PIM1}

> <broad_moa>
{"Pim kinase inhibitor"}

> <synonyms>
{"TCS PIM-1 1","TCS PIM1 1",491871-58-0,491871580,CHEMBL391586,CHEBI:86453,MFCD00276275,3-Cyano-4-phenyl-6-(3-bromo-6-hydroxy)phenyl-2(1H)-pyridone,3Cyano4phenyl6(3bromo6hydroxy)phenyl2(1H)pyridone,6-
(5-bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1H-pyridine-3-carbonitrile,6(5bromo2hydroxyphenyl)2oxo4phenyl1Hpyridine3carbonitrile,C18H11BrN2O2,3-cyano-4-phenyl-6-(3-bromo-6-hydroxyphen,3cyano4phenyl6(3bro
mo6hydroxyphen,T2253,"EMD 526520",526520}

> <pdid>
PD004196

> <targets>
{"PIM1 Kinase Inhibitor II",Pim}

> <classes>
{JAK/STAT Signaling}

> <pubchem_cids>
{1235170}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1953   -1.5031    0.0000 N   0  0
   -5.1932   -3.0039    0.0000 C   0  0
   -6.4896   -3.7585    0.0000 C   0  0
   -6.4844   -5.2585    0.0000 C   0  0
   -5.1828   -6.0040    0.0000 C   0  0
   -3.8863   -5.2495    0.0000 C   0  0
   -2.5847   -5.9950    0.0000 Cl  0  0
   -3.8915   -3.7495    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 13  1  0
 11 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25  7  1  0
 25 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15574

> <plate>
PLATE 004

> <well>
D10

> <supplier_cmpd_name>
Silmitasertib

> <ctcr_id>
4306

> <supplier_cmpd_id>
T2259

> <smiles>
OC(=O)c1ccc2c(c1)nc(Nc3cccc(Cl)c3)c4ccncc24

> <pd_targets>
{CSNK2A1,CSNK2A2,CSNK2A3,CSNK2B,DYRK1A,DYRK1B,TBK1,PIM1,CCNB1,CCNB2,CCNB3,CDK1,DAPK3,CLK2,PIM2,CLK3,HIPK3,FLT3,CCNE1,CDK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Protein kinase regulatory subunit","Other protein kinase group","CMGC protein kinase group","CAMK protein kinase group","TK protein kinase group","Other protein kinase
 CK2 family","CMGC protein kinase DYRK family","Other protein kinase IKK family","CAMK protein kinase PIM family","CMGC protein kinase CDK family","CAMK protein kinase DAPK family","CMGC protein kinas
e CLK family","Tyrosine protein kinase PDGFR family","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase HIPK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","Dual-specificit
y tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Other protein kinases","PIM family","Death-associated kinase (DAPK) family","CLK family","TK: Tyrosine kinase","Dyrk1 subfamily","Casein
 kinase 2 (CK2) family","IKK family","HIPK subfamily","Receptor tyrosine kinases (RTKs)","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)","Immune System",Disease,"Programmed Cell Death","Signal Transduction",Mitotic,"RNA Polymerase II Transcription","Innate Immune System","Diseases of sign
al transduction by growth factor receptors and second messengers",Apoptosis,"Signaling by Receptor Tyrosine Kinases","Mitotic G1 phase and G1/S transition","Generic Transcription Pathway","Toll-like R
eceptor Cascades","FLT3 signaling in disease","Caspase activation via extrinsic apoptotic signalling pathway","Signaling by Insulin receptor","G0 and Early G1","Transcriptional Regulation by TP53","To
ll Like Receptor 4 (TLR4) Cascade","Signaling by FLT3 ITD and TKD mutants","Caspase activation via Dependence Receptors in the absence of ligand","Insulin receptor signalling cascade","Regulation of T
P53 Activity","MyD88-independent TLR4 cascade","STAT5 activation downstream of FLT3 ITD mutants","IRS-mediated signalling","Regulation of TP53 Activity through Phosphorylation","TRIF(TICAM1)-mediated 
TLR4 signaling","PI3K Cascade","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon"}

> <broad_targets>
{CSNK2A1,CSNK2A2,DAPK3,HIPK3}

> <broad_moa>
{"casein kinase inhibitor"}

> <synonyms>
{X494,Silmitasertib,1009820-21-6,1009820216,CX-4945,CX4945,"5-((3-Chlorophenyl)amino)benzo(c)(2,6)naphthyridine-8-carboxylic acid","5((3Chlorophenyl)amino)benzo(c)(2,6)naphthyridine8carboxylic acid","
CX-4945 (Silmitasertib)","CX4945 (Silmitasertib)","CX 4945",UNII-C6RWP0N0L2,UNIIC6RWP0N0L2,"5-(3-chlorophenylamino)benzo(c)(2,6)naphthyridine-8-carboxylic acid","5(3chlorophenylamino)benzo(c)(2,6)naph
thyridine8carboxylic acid",5-((3-chlo,5((3chlo,T2259,S2248,SY-CX-4945,silmitasertib}

> <pdid>
PD003261

> <targets>
{"Casein Kinase",Others,PKC,CK2}

> <classes>
{Others}

> <pubchem_cids>
{24748573}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -3.9069    5.2492    0.0000 N   0  0
   -5.2089    5.9957    0.0000 C   0  0
   -5.3543    7.4758    0.0000 C   0  0
   -6.8231    7.7802    0.0000 C   0  0
   -7.4401    9.1474    0.0000 C   0  0
   -7.5665    6.4774    0.0000 N   0  0
   -6.5572    5.3678    0.0000 N   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4939    0.7411    0.0000 C   0  0
   -6.4894   -0.7597    0.0000 C   0  0
   -7.7864   -1.5148    0.0000 C   0  0
   -7.7841   -3.0149    0.0000 C   0  0
   -9.0819   -3.7670    0.0000 C   0  0
  -10.3821   -3.0191    0.0000 C   0  0
  -10.3846   -1.5191    0.0000 C   0  0
   -9.0867   -0.7670    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 12  2  0
 10 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 19 28  2  0
 28  8  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15575

> <plate>
PLATE 004

> <well>
D11

> <supplier_cmpd_name>
ENMD-2076

> <ctcr_id>
7085

> <supplier_cmpd_id>
T2358

> <smiles>
CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(\C=C\c4ccccc4)n2

> <pd_targets>
{RET,CSF1R,AURKB,SRC,FLT3,PTK2,ABL1,KDR,AURKA,PDGFRA,KIT,FGFR1,FGFR3,MAP2K1,TBK1,PLK4,MAP4K4,LRRK2,LIMK1,CHEK1,NTRK1,MINK1,IRAK1,PRKCG,BTK,NTRK3,PRKAA1,RPS6KB1,HIPK2,DYRK1B,ROS1,PAK4,PTK6,NTRK2,FLT1,I
NSR,EPHA2,IKBKE,MAP2K2,MAP4K2,SLK,MAP4K5,STK3,GSK3A,GSK3B,FER,SYK,MST1R,TNK2,PDGFRB,TAOK1,TYK2,DAPK3,BLK,PAK1,JAK2,FRK,LCK,CLK4,CDK7,PDPK1,BRSK1,RPS6KA3,STK17A,MARK3,ITK,ACVR1,JAK3,HIPK4,IRAK4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","STE protein kinase group","TKL protein kinase group","CAMK protein kinase group","AGC protein kinase group","CMG
C protein kinase group","Tyrosine protein kinase Ret family","Tyrosine protein kinase PDGFR family","Other protein kinase AUR family","Tyrosine protein kinase Src family","Tyrosine protein kinase Fak 
family","Tyrosine protein kinase Abl family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase FGFR family","STE protein kinase STE7 family","Other protein kinase IKK family","Other prot
ein kinase PLK family","STE protein kinase STE20 family","TKL protein kinase LRRK family","TKL protein kinase LISK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Trk family","TKL 
protein kinase IRAK family","AGC protein kinase PKC family","Tyrosine protein kinase Tec family","AGC protein kinase RSK family","CMGC protein kinase DYRK family","Tyrosine protein kinase Sev family",
"Tyrosine protein kinase InsR family","Tyrosine protein kinase Eph family","CMGC protein kinase GSK family","Tyrosine protein kinase Fer family","Tyrosine protein kinase Syk family","Tyrosine protein 
kinase Met family","Tyrosine protein kinase Ack family","Tyrosine protein kinase JakA family","CAMK protein kinase DAPK family","CMGC protein kinase CLK family","CMGC protein kinase CDK family","AGC p
rotein kinase PDK1 subfamily","TKL protein kinase STKR family","STE protein kinase MSN subfamily","TKL protein kinase LIMK subfamily","CAMK protein kinase CHK1 subfamily","AGC protein kinase PKC alpha
 subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase p70 subfamily","CMGC protein kinase HIPK subfamily","CMGC protein kinase Dyrk1 subfamily","STE protein kinase PAKB subfamily","STE 
protein kinase KHS subfamily","STE protein kinase SLK subfamily","STE protein kinase MST subfamily","STE protein kinase TAO subfamily","STE protein kinase PAKA subfamily","CMGC protein kinase CDK7 sub
family","CAMK protein kinase BRSK subfamily","AGC protein kinase RSK subfamily","CAMK protein kinase MARK subfamily","TKL protein kinase STKR1"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kina
ses","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TK: Tyrosine kinase","Other protein kinases","STE7 family","STE20 family","TKL: Tyrosine kinase-like","CA
MK-like (CAMKL) family","Protein kinase C (PKC) family","RSK family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Glycogen synthase kinase (GSK) family","Death-assoc
iated kinase (DAPK) family","CLK family","Cyclin-dependent kinase (CDK) family","PDK1 family","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) family","Non-receptor tyrosine kinases (nRTKs)","I
KK family","Polo-like kinase (PLK) family","MSN subfamily","Leucine-rich repeat kinase (LRRK) family","LIM domain kinase (LISK) family","CHK1 subfamily","Interleukin-1 receptor-associated kinase (IRAK
) family","Alpha subfamily","AMPK subfamily","p70 subfamily","HIPK subfamily","Dyrk1 subfamily","PAKB subfamily","KHS subfamily","SLK subfamily","MST subfamily","GSK subfamily","TAO subfamily","PAKA s
ubfamily","CDK7 subfamily","BRSK subfamily","RSK subfamily","MARK subfamily","Receptor serine/threonine kinase (RSTK) family","Type XIV RTKs: RET","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family
","Src family","Fak family","Abl family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","LIMK subfamily","Type 
VII RTKs: Neurotrophin receptor/Trk family","Tec family","Type XVII RTKs: ROS receptors","Type II RTKs: Insulin receptor family","Type XIII RTKs: Ephrin receptor family","Fer family","Syk family","Typ
e X RTKs: HGF (hepatocyte growth factor) receptor family","Ack family","Janus kinase (JakA) family","Type I receptor serine/threonine kinases"}

> <pathway_reactome>
{"Developmental Biology","Gene expression (Transcription)","Cell Cycle","Signal Transduction",Disease,"Immune System","Cellular responses to external stimuli","DNA Repair","Neuronal System","Programme
d Cell Death","Nervous system development","RNA Polymerase II Transcription",Mitotic,"Signaling by Receptor Tyrosine Kinases","Infectious disease","Diseases of signal transduction by growth factor rec
eptors and second messengers","Innate Immune System","Cellular responses to stress","Signaling by Non-Receptor Tyrosine Kinases","DNA Double-Strand Break Repair","Transmission across Chemical Synapses
","MTOR signalling","Intracellular signaling by second messengers","Signaling by Hippo","Cytokine Signaling in Immune system",Apoptosis,"Adaptive Immune System","Axon guidance","Generic Transcription 
Pathway","M Phase","Signaling by NTRKs","Signaling by Insulin receptor","Leishmania infection","Signaling by VEGF","Signaling by PDGFR in disease","Signaling by KIT in disease","Signaling by FGFR in d
isease","Toll-like Receptor Cascades","Mitotic G2-G2/M phases","Cellular Senescence","Signaling by PTK6","Homology Directed Repair","Neurotransmitter receptors and postsynaptic signal transmission","m
TORC1-mediated signalling","Mitotic G1 phase and G1/S transition","PIP3 activates AKT signaling","SARS-CoV Infections","Signaling by SCF-KIT","Signaling by MST1","Interferon Signaling","Caspase activa
tion via extrinsic apoptotic signalling pathway","HIV Infection","Oncogenic MAPK signaling","TCR signaling","Signaling by Interleukins","RET signaling","Transcriptional Regulation by VENTX","Mitotic M
etaphase and Anaphase","Signaling by NTRK1 (TRKA)","Insulin receptor signalling cascade","Parasite infection","VEGFA-VEGFR2 Pathway","Transcriptional Regulation by TP53","Drug resistance of PDGFR muta
nts","Drug resistance of KIT mutants","Signaling by FGFR1 in disease","Signaling by FGFR3 in disease","Toll Like Receptor 4 (TLR4) Cascade","G2/M Transition","Oxidative Stress Induced Senescence","PTK
6 promotes HIF1A stabilization","Semaphorin interactions","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Toll Like Receptor 5 (TLR5) Cascade","Glutamate binding","activ
ation of AMPA receptors and synaptic plasticity","Signaling by NTRK3 (TRKC)","Signaling by ROBO receptors","G1 Phase","VEGF ligand-receptor interactions","Negative regulation of the PI3K/AKT network",
"EPH-Ephrin signaling","SARS-CoV-1 Infection","Leishmania parasite growth and survival","Interferon alpha/beta signaling","Caspase activation via Dependence Receptors in the absence of ligand","Transc
riptional regulation by RUNX1","PTEN Regulation","Host Interactions of HIV factors","HIV Life Cycle","Signaling by RAS mutants","Generation of second messenger molecules","Interleukin-2 family signali
ng","Toll Like Receptor 2 (TLR2) Cascade","Mitotic Anaphase","Signalling to ERKs","IRS-mediated signalling","Leishmania phagocytosis","VEGFR2 mediated cell proliferation","Regulation of TP53 Activity"
,"Imatinib-resistant PDGFR mutants","Dasatinib-resistant KIT mutants","FGFR1 mutant receptor activation","Signaling by FGFR3 point mutants in cancer","MyD88-independent TLR4 cascade","Centrosome matur
ation","Sema4D in semaphorin signaling","HDR through Homologous Recombination (HRR)","MyD88 cascade initiated on plasma membrane","Trafficking of AMPA receptors","Activated NTRK3 signals through PI3K"
,"Activation of RAC1","Cyclin D associated events in G1","Activation of TRKA receptors","VEGF binds to VEGFR leading to receptor dimerization",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","EPHA-me
diated growth cone collapse","SARS-CoV-1 Genome Replication and Transcription","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of IFNA signaling","RUNX1 regulates tran
scription of genes involved in BCR signaling","EPHB-mediated forward signaling","Regulation of PTEN stability and activity","The role of Nef in HIV-1 replication and disease pathogenesis","Late Phase 
of HIV Life Cycle","Signaling downstream of RAS mutants","Interleukin-15 signaling","Toll Like Receptor TLR6:TLR2 Cascade","Separation of Sister Chromatids","Signalling to RAS","PI3K Cascade","FCGR3A-
mediated phagocytosis","Regulation of TP53 Activity through Phosphorylation","Signaling by activated point mutants of FGFR1","FGFR3 mutant receptor activation","Prolonged ERK activation events","TRIF(
TICAM1)-mediated TLR4 signaling","Loss of proteins required for interphase microtubule organization from the centrosome","Sema4D induced cell migration and growth-cone collapse","Homologous DNA Pairin
g and Strand Exchange","MAP kinase activation","Trafficking of GluR2-containing AMPA receptors","NGF-independant TRKA activation","Replication of the SARS-CoV-1 genome","FCGR3A-mediated IL10 synthesis
","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Transcription of the HIV genome","Regulation of TP53 Expression and Degradation","MyD88:MAL(TIRAP) c
ascade initiated on plasma membrane","p38MAPK events","Signaling by activated point mutants of FGFR3","Frs2-mediated activation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Loss of Nlp fro
m mitotic centrosomes","Presynaptic phase of homologous DNA pairing and strand exchange","ARMS-mediated activation","activated TAK1 mediates p38 MAPK activation","Nef Mediated CD4 Down-regulation","HI
V Transcription Elongation","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Tat-mediated elongation of the HIV-1 transcript","CREB phosphorylation","Formation 
of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ENMD-2076,ENMD2076,934353-76-1,934353761,"ENMD 2076",ENMD-981693,ENMD981693,UNII-J6U9WP10T7,UNIIJ6U9WP10T7,CHEMBL482968,J6U9WP10T7,"934353-76-1 (free base)","934353761 (free base)",ENND-2076,ENND2076
,1291074-87-7,1291074877,cc-471,cc471,MLS006011042,SCHEMBL596481,GTPL7885,SCHEMBL10122872,SCHEMBL15668060,DTXSID60239430,EX-A235,EXA235,AOB8715,T2358,S1181}

> <pdid>
PD011101

> <targets>
{Flt,VEGFR,"Aurora Kinase"}

> <classes>
{}

> <pubchem_cids>
{16041424}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    5.2311   -3.4009    0.0000 O   0  0
    3.8056   -3.8679    0.0000 C   0  0
    3.3372   -5.2929    0.0000 N   0  0
    1.8372   -5.2877    0.0000 C   0  0
    0.9498   -6.4949    0.0000 N   0  0
   -0.5420   -6.3307    0.0000 C   0  0
   -1.4309   -7.5400    0.0000 C   0  0
   -2.9180   -7.5171    0.0000 S   0  0
   -3.3865   -8.9421    0.0000 C   0  0
   -2.1761   -9.8280    0.0000 C   0  0
   -0.9594   -8.9505    0.0000 C   0  0
    1.3786   -3.8595    0.0000 S   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  2  0
  4 12  1  0
 12 13  1  0
 13  2  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 18  1  0
 23 24  2  0
 24 15  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15576

> <plate>
PLATE 004

> <well>
E2

> <supplier_cmpd_name>
Ro 3306

> <ctcr_id>
7670

> <supplier_cmpd_id>
T2356

> <smiles>
O=C\1N=C(NCc2sccc2)SC1=C\c3ccc4ncccc4c3

> <pd_targets>
{CDK1,PRKCD,CLK2,CLK1,MAPK1,CDK2,DYRK1A,GSK3A,GSK3B,CCNA2,AURKA,CDK5,CDK5R1,CCNT1,CDK9,CCNB1,CCNE1,AURKB,CCNH,CDK7,MNAT1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","AGC protein kinase group","Other protein kinase group","CMGC protein kinase CDK family","AGC protein kinase PKC family","CMGC protein kinas
e CLK family","CMGC protein kinase MAPK family","CMGC protein kinase DYRK family","CMGC protein kinase GSK family","Other protein kinase AUR family","CMGC protein kinase CDC2 subfamily","AGC protein k
inase PKC delta subfamily","CMGC protein kinase ERK1","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase CDK9 subfamily","CMGC protein kinase CDK7 subfamily","CMGC protein kinase CDK5 subfamil
y"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","Receptor kinases","Cyclin-dependent kinase (CD
K) family","Protein kinase C (PKC) family","CLK family","Mitogen-activated protein kinases (MAP kinases)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Other protein 
kinases","CDK1 subfamily","Delta subfamily","ERK subfamily","Dyrk1 subfamily","Aurora kinase (Aur) family","CDK5 subfamily"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction","Immune System","Gene expression (Transcription)",Mitotic,"Intracellular signaling by second messengers","Innate Immune System","RNA Polymerase II Transcription","R
egulation of mitotic cell cycle","DAG and IP3 signaling","Toll-like Receptor Cascades","Generic Transcription Pathway","Mitotic G1 phase and G1/S transition","M Phase","APC/C-mediated degradation of c
ell cycle proteins","CaM pathway","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional Regulation by TP53","G0 and Early G1","Mitotic Metaphase and Anaphase","Activation of APC/C and APC/C:Cdc20 med
iated degradation of mitotic proteins","Calmodulin induced events","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity","Mitotic Anaphase","APC/C:Cdc20 mediated degradation of mi
totic proteins","MAP kinase activation","Regulation of TP53 Expression and Degradation","Regulation of TP53 Activity through Phosphorylation","Separation of Sister Chromatids","APC:Cdc20 mediated degr
adation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Cdc20:Phospho-APC/C mediated 
degradation of Cyclin A","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CDK1}

> <broad_moa>
{"CDK inhibitor"}

> <synonyms>
{T2356,"EMD 217699","Ro 3306",217699}

> <pdid>
PD012836

> <targets>
{CDK}

> <classes>
{}

> <pubchem_cids>
{11631681}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
   -1.2250   -6.6252    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 N   0  0
    1.2443   -5.8182    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8074   -5.7196    0.0000 O   0  0
    4.0559   -4.4171    0.0000 N   0  0
    4.8090   -5.7153    0.0000 C   0  0
    6.3098   -5.7131    0.0000 C   0  0
    7.0629   -7.0113    0.0000 O   0  0
    8.5638   -7.0091    0.0000 C   0  0
    9.3184   -8.3055    0.0000 C   0  0
   10.8184   -8.3003    0.0000 C   0  0
   11.5638   -6.9986    0.0000 C   0  0
   10.8093   -5.7022    0.0000 C   0  0
    9.3093   -5.7074    0.0000 C   0  0
   13.0647   -6.9903    0.0000 C   0  0
   13.8214   -8.2854    0.0000 O   0  0
   13.8087   -5.6869    0.0000 N   0  0
   15.3087   -5.6786    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  5  1  0
 13  8  1  0
  6 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15577

> <plate>
PLATE 004

> <well>
E3

> <supplier_cmpd_name>
PCI-24781

> <ctcr_id>
1209

> <supplier_cmpd_id>
T0431

> <smiles>
CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc3ccc(cc3)C(=O)NO

> <pd_targets>
{HDAC8,HDAC10,HDAC6,HDAC1,HDAC3,HDAC2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIb"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Cell Cycle",Disease,"Gene expression (Transcription)",Mitotic,"Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Disorders of Devel
opmental Biology","M Phase","Signaling by NOTCH1 in Cancer","Generic Transcription Pathway","Disorders of Nervous System Development","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Doma
in Mutants in Cancer","Transcriptional regulation by RUNX2","Pervasive developmental disorders","Transcriptional Regulation by TP53","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain
 Mutants","RUNX2 regulates bone development","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Separation of Sister Chromatids","RUNX2 regulates osteoblast differentiation","
Loss of MECP2 binding ability to 5mC-DNA","Loss of MECP2 binding ability to the NCoR/SMRT complex","Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC6}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{CI2478,ABEXINOSTAT,PCI-24781,PCI24781,783355-60-2,783355602,CRA-024781,CRA024781,"PCI 24781",CRA-02478,CRA02478,"CRA 024781","Abexinostat (PCI-24781)","Abexinostat (PCI24781)",UNII-IYO470654U,UNIIIYO
470654U,"PCI-24781 (CRA-024781)","PCI24781 (CRA024781)",IYO470654U,S78454,"CRA 24781","Abexinostat (USAN:INN)","Abexinostat (USAN)",Abe,T0431,S1090,"PCI-24781 (Abexinostat)"}

> <pdid>
PD011147

> <targets>
{"HDAC Inhibitors"}

> <classes>
{}

> <pubchem_cids>
{11749858}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 24  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    2.5987    1.5004    0.0000 C   0  0
    2.6012    3.0005    0.0000 C   0  0
    3.9014    3.7484    0.0000 C   0  0
    5.1993    2.9963    0.0000 C   0  0
    6.4995    3.7443    0.0000 O   0  0
    5.1969    1.4963    0.0000 C   0  0
    6.4947    0.7443    0.0000 O   0  0
    3.8967    0.7484    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  5  1  0
 12 13  1  0
 13  2  1  0
 13 14  2  0
  3 15  1  6
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 22 15  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15578

> <plate>
PLATE 004

> <well>
E4

> <supplier_cmpd_name>
Taxifolin

> <ctcr_id>
2491

> <supplier_cmpd_id>
T1738

> <smiles>
O[C@@H]1[C@H](Oc2cc(O)c(O)cc2C1=O)c3ccc(O)c(O)c3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Quercetin, dihydro-","Quercetin, dihydro",MLS002607971,CHEMBL1969772,ZINC1668761,"2-(3,6,7-trihydroxy-chroman-4-one","2(3,6,7trihydroxychroman4one",NSC36398,"NSC 36398",TAXIFOLIN}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{54603556}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 36 36  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 S   0  0
    1.3000   -0.7500    0.0000 O   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.5993    0.0004    0.0000 O   0  0
    6.4000    2.2500    0.0000 C   0  0
    6.4000    0.7500    0.0000 S   0  0
    6.4000   -0.7500    0.0000 O   0  0
    5.1007    0.0004    0.0000 O   0  0
    7.6992    0.0004    0.0000 O   0  0
   25.7859   -1.4983    0.0000 N   0  0
   25.7885   -2.9983    0.0000 C   0  0
   27.0891   -3.7457    0.0000 N   0  0
   24.4898   -3.7506    0.0000 N   0  0
   23.1885   -3.0028    0.0000 C   0  0
   21.8895   -3.7528    0.0000 C   0  0
   20.5905   -3.0027    0.0000 C   0  0
   20.5904   -1.5027    0.0000 C   0  0
   21.8895   -0.7528    0.0000 C   0  0
   23.1886   -1.5028    0.0000 C   0  0
   19.2922   -0.7496    0.0000 C   0  0
   17.9918   -1.4974    0.0000 O   0  0
   19.2943    0.7512    0.0000 O   0  0
   17.9961    1.5043    0.0000 C   0  0
   17.9961    3.0043    0.0000 C   0  0
   16.6971    3.7543    0.0000 C   0  0
   15.3980    3.0043    0.0000 C   0  0
   14.0990    3.7543    0.0000 C   0  0
   12.7999    3.0043    0.0000 C   0  0
   12.8000    1.5043    0.0000 C   0  0
   14.0990    0.7543    0.0000 C   0  0
   15.3980    1.5043    0.0000 C   0  0
   16.6971    0.7543    0.0000 C   0  0
   11.4986    3.7520    0.0000 C   0  0
   11.4960    5.2520    0.0000 N   0  0
   10.2007    3.0002    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  2  5  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  7 10  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 27  1  0
 32 33  2  0
 33 24  1  0
 29 34  1  0
 34 35  1  0
 34 36  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15579

> <plate>
PLATE 004

> <well>
E5

> <supplier_cmpd_name>
Nafamostat mesylate

> <ctcr_id>
6467

> <supplier_cmpd_id>
T2392

> <smiles>
C[S](O)(=O)=O.C[S](O)(=O)=O.NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(N)=N

> <pd_targets>
{C1S,ALDH1A1,ASIC3,PRSS1,PLG,C1R,NGFG,F10,TPSAB1,ASIC2,HPN,ITGA2B,ITGB3,F2,ST14,ASIC1,HGFAC,MAPT,LMNA,TMPRSS2,TRPM7,F12,ICAM1}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Membrane receptor","Unclassified protein","Other cytosolic protein","Other nuclear protein",Adhesion,Protease,Oxidoreductase,"Ligand-gated ion channel","Voltage-gated ion channe
l","Serine protease","Acid-sensing ion channel","Transient receptor potential channel","Serine protease PA clan","Serine protease S1A subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Peptidases and proteinases","Ligand-gated ion channels","Catalytic receptors","Kinases (EC 2.7.x.x)","PA: Serine (S) Peptidases","Acid-sensing (proton-gated) ion cha
nnels (ASICs)",Integrins,Atypical,"S1: Chymotrypsin","Alpha kinase family","ChaK subfamily"}

> <pathway_reactome>
{"Immune System",Metabolism,"Transport of small molecules",Hemostasis,"Metabolism of proteins",Disease,"Extracellular matrix organization","Signal Transduction","Developmental Biology","Neuronal Syste
m","Cell Cycle","Innate Immune System","Biological oxidations","Ion channel transport","Metabolism of vitamins and cofactors","Platelet activation","signaling and aggregation","Regulation of Insulin-l
ike Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs)","Diseases of hemostasis","Degradation of the extracellular matrix","Signaling by Receptor Tyrosine
 Kinases",Keratinization,"Transmission across Chemical Synapses",Mitotic,"Infectious disease","Cytokine Signaling in Immune system","Complement cascade","Phase I - Functionalization of compounds","Sti
muli-sensing channels","Metabolism of water-soluble vitamins and cofactors","Response to elevated platelet cytosolic Ca2+","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)
","Activation of Matrix Metalloproteinases","Signaling by MET","Formation of the cornified envelope","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","SARS-CoV Infections","
Interferon Signaling","Initial triggering of complement","Ethanol oxidation","Cobalamin (Cbl","vitamin B12) transport and metabolism","Platelet degranulation","Defective factor IX causes hemophilia B"
,"MET Receptor Activation","Defective factor VIII causes hemophilia A","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","SARS-CoV-1 Infection","TRP channels","De
fective factor XII causes hereditary angioedema","Interferon gamma signaling","Creation of C4 and C2 activators","Defective F9 variant does not activate FX","Defective F8 cleavage by thrombin","Post N
MDA receptor activation events","Mitotic Anaphase","Attachment and Entry","Classical antibody-mediated complement activation","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembl
y","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ASIC1,ASIC2,ASIC3,C1R,PRSS1,TPSAB1,TRPM7}

> <broad_moa>
{"serine protease inhibitor"}

> <synonyms>
{"Nafamostat dimethanesulfonate","Nafamostat mesylate (USAN)",UNII-1D2T74921W,UNII1D2T74921W,FUT-175,FUT175,1D2T74921W,"FUT 175","6-Amidino-2-naphthyl p-guanidinobenzoate, dimethanesulfonate","6Amidin
o2naphthyl pguanidinobenzoate, dimethanesulfonate",AKOS026750464,"Nafamostat mesylate",82956-11-4,82956114,Futhan,nafamosta,T2392,S1386,"Nafamostat Mesylate"}

> <pdid>
PD013543

> <targets>
{Proteasome}

> <classes>
{Proteases}

> <pubchem_cids>
{11961431,54953,5311180}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    9.0946   -5.2463    0.0000 C   0  0
    9.0967   -3.7463    0.0000 O   0  0
    7.7985   -2.9932    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2991    5.2500    0.0000 O   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
   -6.4975    3.7477    0.0000 C   0  0
   -6.5001    5.2477    0.0000 C   0  0
   -7.7954    2.9958    0.0000 O   0  0
    5.2004   -2.9933    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 11  2  0
 21 22  1  0
 22 23  2  0
 23  9  1  0
 23 24  1  0
 24 25  1  0
 17 26  1  0
 26 27  1  0
 26 28  1  0
  6 29  1  0
 29 30  2  0
 30  3  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15580

> <plate>
PLATE 004

> <well>
E6

> <supplier_cmpd_name>
Palomid 529

> <ctcr_id>
6126

> <supplier_cmpd_id>
T2706

> <smiles>
COc1ccc(COc2cc3OC(=O)c4cc(ccc4c3cc2OC)C(C)O)cc1

> <pd_targets>
{MTOR}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Expression a
nd Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"AKT inhibitor","mTOR inhibitor"}

> <synonyms>
{"Palomid 529",914913-88-5,914913885,P529,Palomid-529,Palomid529,"Palomid 529 (P529)","SG 00529",SG-00529,SG00529,P-529,UNII-XV9409EWG4,UNIIXV9409EWG4,RES-529,RES529,XV9409EWG4,"Palomid 529,P529",cc-5
13,cc513,MLS006011187,"Palomid 529 - P529","Palomid 529  P529",SCHEMBL290034,C22H26Cl2N2O8,CHEMBL2141712,EX-,EX,T2706,S2238}

> <pdid>
PD012744

> <targets>
{mTOR,Apoptosis}

> <classes>
{PI3K/Akt/mTOR,Apoptosis}

> <pubchem_cids>
{11998575}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    6.4138   -9.3845    0.0000 C   0  0
    7.6964   -8.6067    0.0000 O   0  0
    7.6650   -7.1062    0.0000 C   0  0
    8.9465   -6.3266    0.0000 C   0  0
    8.9121   -4.8270    0.0000 C   0  0
   10.1936   -4.0474    0.0000 Br  0  0
    7.5962   -4.1069    0.0000 C   0  0
    7.5587   -2.6065    0.0000 N   0  0
    6.2433   -1.8892    0.0000 C   0  0
    6.0471   -0.4021    0.0000 S   0  0
    4.5721   -0.1292    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    4.8896   -2.5354    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 C   0  0
    6.3147   -4.8866    0.0000 C   0  0
    4.9987   -4.1667    0.0000 Br  0  0
    6.3491   -6.3862    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  9  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 15  1  0
 20 21  2  0
 21 22  1  0
 22 14  2  0
 22 23  1  0
  7 24  1  0
 24 25  1  0
 24 26  2  0
 26  3  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15581

> <plate>
PLATE 004

> <well>
E7

> <supplier_cmpd_name>
PTC-209

> <ctcr_id>
7913

> <supplier_cmpd_id>
T2345

> <smiles>
COc1cc(Br)c(Nc2scc(n2)c3n4cccnc4nc3C)c(Br)c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"BMI-1 inhibitor"}

> <synonyms>
{TC20,PTC-209,PTC209,315704-66-6,315704666,"PTC 209","PTC-209 (PTC209","PTC209 (PTC209","315704-66-6 (free base)","315704666 (free base)",C17H13Br2N5OS,Oprea1_578634,Oprea1578634,Oprea1-578634,"Oprea1
 578634",Oprea1_589196,Oprea1589196,Oprea1-589196,"Oprea1 589196",CHEMBL468984,SCHEMBL1674889,AMMD00030,AOB6418,EX-A307,EXA307,HMS3653M18,ZINC853334,BCP09028,2673AH,MFCD02110649,n-(4-methoxybenzyl)-3-
oxob,n(4methoxybenzyl)3oxob,T2345,S7372}

> <pdid>
PD010330

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{1117196}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    2.5891   -7.5025    0.0000 C   0  0
    2.5915   -6.0025    0.0000 C   0  0
    3.8919   -5.2533    0.0000 S   0  0
    5.1900   -6.0050    0.0000 O   0  0
    3.8903   -6.7533    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3039    3.7494    0.0000 N   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6060    6.0003    0.0000 C   0  0
    2.6060    7.5003    0.0000 C   0  0
    1.3070    8.2503    0.0000 N   0  0
    1.3070    9.7503    0.0000 C   0  0
    0.0079    7.5003    0.0000 C   0  0
    0.0079    6.0003    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4134   -4.4924    0.0000 N   0  0
   -1.5318   -5.7059    0.0000 C   0  0
   -0.0400   -5.5491    0.0000 C   0  0
    0.8417   -6.7626    0.0000 C   0  0
    0.5701   -4.1788    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 18  1  0
 14 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  2  0
 35 29  1  0
 35 36  1  0
 36 12  1  0
 36 27  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15582

> <plate>
PLATE 004

> <well>
E8

> <supplier_cmpd_name>
TAK901

> <ctcr_id>
1061

> <supplier_cmpd_id>
T2709

> <smiles>
CC[S](=O)(=O)c1cccc(c1)c2cc(C(=O)NC3CCN(C)CC3)c(C)c4[nH]c5ncc(C)cc5c24

> <pd_targets>
{AURKA,TPX2,AURKB,INCENP}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","Other protein kinase AUR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","Other protein kinases","Aurora kinase (Aur) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","RNA Polymerase II Transcription",Mitotic,"Generic Transcription Pathway","M Phase","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase
","Regulation of TP53 Activity","Mitotic Anaphase","Regulation of TP53 Activity through Phosphorylation","Separation of Sister Chromatids"}

> <broad_targets>
{AURKB}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{TAK-901,TAK901,934541-31-8,934541318,"TAK 901",UNII-DM9UIR23R7,UNIIDM9UIR23R7,DM9UIR23R7,C28H32N4O3S,cc-11,cc11,MLS006010174,SCHEMBL645679,CHEMBL3544932,DTXSID70583097,EX-A874,EXA874,HMS3656F17,TAK-9
01/TAK901/,TAK901/TAK901/,ABP000125,MFCD18782651,NSC762151,NSC803712,s2718,ZINC35310420,AKOS005266666,T2709,S2718}

> <pdid>
PD010873

> <targets>
{"Aurora Kinase"}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{16124208}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
   12.1347   -0.9886    0.0000 H   0  3
    9.6347   -0.9886    0.0000 Cl  0  5
    2.5983   -3.0004    0.0000 O   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8975   -2.2510    0.0000 O   0  0
    3.8990   -0.7508    0.0000 N   0  0
    5.1522   -1.5883    0.0000 C   0  0
    6.5858   -1.1471    0.0000 C   0  0
    7.1347    0.2489    0.0000 C   0  0
    6.3855    1.5484    0.0000 N   0  0
    4.9024    1.7729    0.0000 C   0  0
    3.8022    0.7533    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  2  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  6  1  0
  4 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 13  1  0
 22 17  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15583

> <plate>
PLATE 004

> <well>
E9

> <supplier_cmpd_name>
Fasudil hydrochloride

> <ctcr_id>
4951

> <supplier_cmpd_id>
T3060

> <smiles>
[H+].[Cl-].O=[S](=O)(N1CCCNCC1)c2cccc3cnccc23

> <pd_targets>
{ROCK2,ROCK1,HTT,PRKCD,CDK8,PRKACA,RPS6KA3,AURKB,PRKX,PRKCG,PRKCE,CYP3A4,CYP2D6,PRKCQ,PRKD2,MAP4K4,LRRK2,DAPK3,PRKG1,PRKACB,PRKACG,PKN2,LEF,MYLK,KCNH2,SGK2,CDK5,PRKD3,CLK4,CDK7,RPS6KB1,KMT2A,MEN1,AKT1
,SMN1,AKT3,PKN1,CHEK2,STK33,CCR2,RPS6KA5,CCL2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Ion channel","Epigenetic regulator","Membrane receptor",Kinase,"Cytochrome P450",Protease,"Voltage-gated ion channel",Reader,"Family A G protein-coupled receptor","Prot
ein Kinase","Cytochrome P450 family 3","Cytochrome P450 family 2","Metallo protease","Potassium channels",Bromodomain,"Methyl-lysine/arginine binding protein","Peptide receptor (family A GPCR)","AGC p
rotein kinase group","CMGC protein kinase group","Other protein kinase group","Cytochrome P450 family 3A","Cytochrome P450 family 2D","CAMK protein kinase group","STE protein kinase group","TKL protei
n kinase group","Metallo protease MAE clan","Voltage-gated potassium channel","Tudor domain","Chemokine receptor","AGC protein kinase DMPK family","AGC protein kinase PKC family","CMGC protein kinase 
CDK family","AGC protein kinase PKA family","AGC protein kinase RSK family","Other protein kinase AUR family","Cytochrome P450 3A4","Cytochrome P450 2D6","CAMK protein kinase PKD family","STE protein 
kinase STE20 family","TKL protein kinase LRRK family","CAMK protein kinase DAPK family","AGC protein kinase PKG family","AGC protein kinase PKN family","Metallo protease M34 family","CAMK protein kina
se MLCK family","AGC protein kinase SGK family","CMGC protein kinase CLK family","AGC protein kinase AKT family","CAMK protein kinase RAD53 family","CAMK protein kinase unique family","CC chemokine re
ceptor","AGC protein kinase ROCK subfamily","AGC protein kinase PKC delta subfamily","CMGC protein kinase CDK8 subfamily","AGC protein kinase RSK subfamily","AGC protein kinase PKC alpha subfamily","A
GC protein kinase PKC eta subfamily","STE protein kinase MSN subfamily","CMGC protein kinase CDK5 subfamily","CMGC protein kinase CDK7 subfamily","AGC protein kinase p70 subfamily","AGC protein kinase
 MSK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Kinases (EC 2.7.x.x)","Catalytic receptors","Cytochrome P450","Voltage-gated ion channels","G protein-coupled receptors","AGC: Containing PKA",PKG,"PKC families","CM
GC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","CYP3 family","CYP2 family: drug metabolising subset","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Steri
le 7","Sterile 11","Sterile 20 kinases","Potassium channels","Chemokine receptors","DMPK family","Protein kinase C (PKC) family","Cyclin-dependent kinase (CDK) family","Protein kinase A (PKA) family",
"RSK family","Other protein kinases","Protein kinase D (PKD) family","STE20 family","TKL: Tyrosine kinase-like","Death-associated kinase (DAPK) family","Protein kinase G (PKG) family","Protein kinase 
N (PKN) family","Myosin Light Chain Kinase (MLCK) family","Voltage-gated potassium channels","SGK family","CLK family","Akt (Protein kinase B","PKB) family","CAMK-like (CAMKL) family","CAMK-unique fam
ily","Rho kinase","Delta subfamily","CDK8 subfamily","RSK subfamily","Aurora kinase (Aur) family","Alpha subfamily","Eta subfamily","MSN subfamily","Leucine-rich repeat kinase (LRRK) family","CDK5 sub
family","CDK7 subfamily","p70 subfamily","CHK1 subfamily","MSK subfamily"}

> <pathway_reactome>
{"Developmental Biology","Gene expression (Transcription)","Signal Transduction",Disease,"Cell Cycle","Immune System","Neuronal System",Metabolism,"Cellular responses to external stimuli","Programmed 
Cell Death",Hemostasis,"Muscle contraction","Transport of small molecules","Metabolism of RNA","Nervous system development","RNA Polymerase II Transcription","Intracellular signaling by second messeng
ers","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"Innate Immune System","Infectious disease","Transmission across Chemical Synapses","Metabolism of lipid
s","Biological oxidations","Signaling by GPCR","Cellular responses to stress","Signaling by Non-Receptor Tyrosine Kinases",Apoptosis,"Platelet homeostasis","Signaling by Rho GTPases","Cardiac conducti
on","Ion channel transport","MTOR signalling","Metabolism of non-coding RNA","Axon guidance","Generic Transcription Pathway","DAG and IP3 signaling","Signaling by NOTCH1 in Cancer","Mitotic G2-G2/M ph
ases","Toll-like Receptor Cascades","M Phase","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Fcgamma receptor (FCGR) dependent phagocytosis","Biosynthesis of
 specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","GPCR downstream signalling","Sphingolipid metabolism","Cellular Senescence","Signaling by PTK6","Caspase activat
ion via extrinsic apoptotic signalling pathway","Nitric oxide stimulates guanylate cyclase","RHO GTPase Effectors","Uptake and actions of bacterial toxins","Phase 3 - rapid repolarisation","Stimuli-se
nsing channels","HIV Infection","mTORC1-mediated signalling","snRNP Assembly","GPCR ligand binding","Semaphorin interactions","Transcriptional Regulation by MECP2","CaM pathway","Signaling by NOTCH1 H
D+PEST Domain Mutants in Cancer","G2/M Transition","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Glutamate binding","activation of A
MPA receptors and synaptic plasticity","Role of phospholipids in phagocytosis","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","G alpha (i) signalling events","Sphing
olipid de novo biosynthesis","Oxidative Stress Induced Senescence","PTK6 promotes HIF1A stabilization","Caspase activation via Dependence Receptors in the absence of ligand","cGMP effects","RHO GTPase
s activate PKNs","Uptake and function of anthrax toxins","RHO GTPases activate PAKs","Transcriptional Regulation by TP53","HIV Life Cycle","Class A/1 (Rhodopsin-like receptors)","Sema4D in semaphorin 
signaling","Regulation of MECP2 expression and activity","Calmodulin induced events","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Centrosome maturation","MyD88 cascade initiated on plasm
a membrane","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Trafficking of AMPA receptors","Biosynthesis of maresins",Xenobiotics,"Visual phototransduction","R
egulation of TP53 Activity","Late Phase of HIV Life Cycle","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Peptide ligand-binding receptors","Sema4D 
induced cell migration and growth-cone collapse","Loss of proteins required for interphase microtubule organization from the centrosome","MAP kinase activation","Separation of Sister Chromatids","ADOR
A2B mediated anti-inflammatory cytokines production","Trafficking of GluR2-containing AMPA receptors","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","The phototransduction cascade","Regulation
 of TP53 Activity through Phosphorylation","Transcription of the HIV genome","Regulation of TP53 Expression and Degradation","PKA-mediated phosphorylation of CREB","Chemokine receptors bind chemokines
","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases",Inactivation,"recovery and regulation of the phototransduction cascade","HIV Transcription Elongation","
Regulation of TP53 Degradation","PKA activation","CREB phosphorylation","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{PKIA,PRKACA,ROCK1,ROCK2}

> <broad_moa>
{"rho associated kinase inhibitor"}

> <synonyms>
{"ASUDIL (HA1077) HC","ASUDIL (HA 1077) HC","1H-1,4-Diazepine, hexahydro-1-(5-isoquinolinylsulfonyl)-,monohydrochloride","1H1,4Diazepine, hexahydro1(5isoquinolinylsulfonyl),monohydrochloride","1H 1","
4 Diazepine","hexahydro 1 (5 isoqui",541,S1573,"Fasudil hydrochloride","Fasudil (HA-1077) HCl"}

> <pdid>
PD001304

> <targets>
{Rho-kinases,ROCK,Autophagy}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{657249,163751}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 F   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 F   0  0
    3.8975   -2.2510    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.3786   -3.8595    0.0000 S   0  0
   -1.8371   -5.2877    0.0000 C   0  0
   -0.9513   -6.4982    0.0000 O   0  0
   -3.3371   -5.2929    0.0000 N   0  0
   -3.8056   -3.8680    0.0000 C   0  0
   -5.2311   -3.4009    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
  9 18  2  0
 18  5  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15584

> <plate>
PLATE 004

> <well>
E10

> <supplier_cmpd_name>
SMI-4a

> <ctcr_id>
7363

> <supplier_cmpd_id>
T3058

> <smiles>
FC(F)(F)c1cccc(/C=C/2SC(=O)NC2=O)c1

> <pd_targets>
{PIM1,PIM2,TTR,CISD1}

> <pathway_gtopdb>
{Enzyme,"Secreted protein","Unclassified protein",Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase PIM family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Kinases (EC 2.7.x.x)",Transthyretin,"CAMK: Calcium/calmodulin-dependent protein kinases","PIM family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by GPCR","FLT3 signaling in disease","GPCR downstream signalling","Signalin
g by FLT3 ITD and TKD mutants","G alpha (i) signalling events","STAT5 activation downstream of FLT3 ITD mutants","Visual phototransduction","The canonical retinoid cycle in rods (twilight vision)"}

> <broad_targets>
{PIM1}

> <broad_moa>
{"Pim kinase inhibitor"}

> <synonyms>
{"CS PIM1 4",438190-29-5,438190295,SMI-4a,SMI4a,"SMI 4a","TCS PIM-1 4a","TCS PIM1 4a",(Z)-SMI-4a,(Z)SMI4a,"(Z)-5-(3-(trifluoromethyl)benzylidene)thiazolidine-2,4-dione","(Z)5(3(trifluoromethyl)benzyli
dene)thiazolidine2,4dione","(5Z)-5-(3-(trifluoromethyl)benzylidene)-1,3-thiazolidine-2,4-dione","(5Z)5(3(trifluoromethyl)benzylidene)1,3thiazolidine2,4dione",CHEMBL183906,(5Z)-5-((3-(TRIFLUOROMETHYL)P
HENYL)METHY,(5Z)5((3(TRIFLUOROMETHYL)PHENYL)METHY,SY-SMI-4a,"EMD 526523",nan,S8005,526523}

> <pdid>
PD010270

> <targets>
{PIM,Pim}

> <classes>
{}

> <pubchem_cids>
{1361334}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 N   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 C   0  0
   -1.2942   -8.2509    0.0000 O   0  0
    0.0036   -7.4988    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  2 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 10  1  0
 20 14  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 12 27  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15585

> <plate>
PLATE 004

> <well>
E11

> <supplier_cmpd_name>
TGX-221

> <ctcr_id>
2097

> <supplier_cmpd_id>
T2661

> <smiles>
CC(Nc1ccccc1)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C

> <pd_targets>
{PIK3CB,CLK4,PIK3CA,PIK3CD,CSNK1A1,PTK2,PIK3CG}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","CMGC protein kinase group","CK1 protein kinase group","TK protein kinase group","CMGC protein kinase CLK family","CK1 protein kinase CK1 family","Tyrosine 
protein kinase Fak family"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Lipid modifying kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","Receptor kinases",Phosphatidylinositol
-4,"5-bisphosphate 3-kinase family","CLK family","Casein kinase 1 (CK1) family","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Fak family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Immune System",Metabolism,"Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signalin
g in Immune system","Infectious disease","Metabolism of lipids","Signaling by Insulin receptor","Signaling by FGFR in disease","Signaling by Interleukins","Signaling by WNT in cancer","Leishmania infe
ction","Phospholipid metabolism","Insulin receptor signalling cascade","Signaling by FGFR1 in disease",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Signaling by AMER1 mutants","Parasite infecti
on","PI Metabolism","IRS-mediated signalling","FGFR1 mutant receptor activation","Interleukin receptor SHC signaling","Truncations of AMER1 destabilize the destruction complex","Leishmania phagocytosi
s","Synthesis of PIPs at the plasma membrane","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{PIK3CB,PIK3CD}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{GX22,TGX-221,TGX221,663619-89-4,663619894,"Tgx 221",CHEMBL1972466,"9-(1-Anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido(1,2-a)pyrimidin-4-one","9(1Anilinoethyl)7methyl2morpholin4ylpyrido(1,2a)pyrimidin
4one",Kinome_3610,Kinome3610,Kinome-3610,"Kinome 3610",PubChem22489,cc-494,cc494,MLS006010987,SCHEMBL902952,GTPL8244,CHEBI:91428,AOB3924,QCR-207,QCR207,SYN1089,BCPP000046,HMS322,T2661,S1169,"EMD 52811
3",528113,"TGX 221"}

> <pdid>
PD003688

> <targets>
{TGX221,TGX-221,"PI3K BETA","PI 3-K? Inhibitor VI"}

> <classes>
{}

> <pubchem_cids>
{9907093}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 42 46  0  0  0  0            999 V2000
    9.1208   -5.2312    0.0000 C   0  0
    9.1125   -3.7312    0.0000 C   0  0
    7.8090   -2.9872    0.0000 C   0  0
    7.8007   -1.4864    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -3.8794   -1.4442    0.0000 C   0  0
   -4.8817   -2.5602    0.0000 C   0  0
   -4.3452   -0.0184    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 N   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -0.0072    7.5016    0.0000 N   0  0
    1.2895    8.2559    0.0000 C   0  0
    1.2847    9.7558    0.0000 C   0  0
   -0.0167   10.5017    0.0000 N   0  0
   -1.3134    9.7476    0.0000 C   0  0
   -1.3086    8.2476    0.0000 C   0  0
   -0.0246   12.0025    0.0000 C   0  0
   -1.3271   12.7465    0.0000 C   0  0
    1.2708   12.7589    0.0000 C   0  0
    6.4939    0.7591    0.0000 C   0  0
    5.1923    1.5046    0.0000 O   0  0
    7.7903    1.5136    0.0000 N   0  0
    9.0919    0.7681    0.0000 C   0  0
    9.0971   -0.7319    0.0000 C   0  0
   10.3884    1.5226    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 14  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 12 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 25 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 31 34  1  0
 34 35  1  0
 34 36  1  0
  5 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
 40 41  2  3
 41  4  1  0
 40 42  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15586

> <plate>
PLATE 004

> <well>
F2

> <supplier_cmpd_name>
UNC1999

> <ctcr_id>
6195

> <supplier_cmpd_id>
T3057

> <smiles>
CCCC1=C(CNC(=O)c2cc(cc3c2cnn3C(C)C)c4ccc(nc4)N5CCN(CC5)C(C)C)C(=O)NC(=C1)C

> <pd_targets>
{EZH1,EZH2}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Signal Transduction","Intracellular signaling by second messengers","PIP3 activates AKT signaling","PTEN Regulation","Regulation of PTEN gene transcription"}

> <broad_targets>
{EZH2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{UNC1999,1431612-23-5,1431612235,UNC-1999,"UNC 1999",GTPL8237,SCHEMBL16767552,AOB4219,EX-A252,EXA252,HMS3653O13,BCP08257,ABP001104,MFCD26960958,ZINC98043801,AKOS025142028,CCG-270094,CCG270094,CS-1658,
CS1658,SB19347,NCGC00351477-01,NCGC0035147701,NCGC00351477-09,NCGC0035147709,AC-31433,AC31433,AK474027,AS-55989,AS55989,DA-44779,DA44779,T3057,S7165}

> <pdid>
PD000019

> <targets>
{"Histone Methyltransferase"}

> <classes>
{Epigenetics}

> <pubchem_cids>
{72551585}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 35 37  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  5
    2.6003   -1.4977    0.0000 N   0  3
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6017    2.9971    0.0000 S   0  0
   -1.3070    5.2502    0.0000 N   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6109    7.4996    0.0000 N   0  0
   -3.9118    8.2481    0.0000 C   0  0
   -5.2095    7.4959    0.0000 O   0  0
   -3.9149    9.7490    0.0000 C   0  0
   -5.2157   10.4975    0.0000 C   0  0
   -5.2210   11.9975    0.0000 C   0  0
   -6.5226   12.7430    0.0000 C   0  0
   -7.8190   11.9885    0.0000 C   0  0
   -7.8138   10.4885    0.0000 C   0  0
   -6.5122    9.7430    0.0000 C   0  0
   -2.6165   10.5016    0.0000 C   0  0
   -2.6170   12.0017    0.0000 C   0  0
   -1.3182   12.7522    0.0000 C   0  0
   -0.0189   12.0027    0.0000 C   0  0
   -0.0183   10.5027    0.0000 C   0  0
   -1.3171    9.7522    0.0000 C   0  0
   -3.9078    5.2487    0.0000 C   0  0
   -5.2071    5.9983    0.0000 Cl  0  0
   -5.2068    4.4985    0.0000 Cl  0  0
   -3.9078    3.7487    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 15 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 11 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
  6 32  2  0
 32 33  1  0
 33 34  2  0
 34  4  1  0
 34 35  1  0
M  CHG  2   1  -1   2   1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15587

> <plate>
PLATE 004

> <well>
F3

> <supplier_cmpd_name>
CGK 733

> <ctcr_id>
6787

> <supplier_cmpd_id>
T1821

> <smiles>
[O-][N+](=O)c1cc(NC(=S)NC(NC(=O)C(c2ccccc2)c3ccccc3)C(Cl)(Cl)Cl)ccc1F

> <pd_targets>
{ATM,KMT2A,MEN1,RORC,ATR}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor",Kinase,Reader,"Nuclear receptor","Protein Kinase",Bromodomain,"Nuclear hormone receptor subfamily 1","Atypical protein kinase group","Nuclear horm
one receptor subfamily 1 group F","Atypical protein kinase PIKK family","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors",Atypical,"1F. Retinoic acid-related orphans","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK family ki
nases","ATR subfamily"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)","DNA Repair","Cell Cycle Checkpoints","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","G1/S DNA Damage Checkpoints","Generic Transcri
ption Pathway","Homology Directed Repair","p53-Dependent G1/S DNA damage checkpoint","Transcriptional regulation by RUNX3","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)"
,"p53-Dependent G1 DNA Damage Response","RUNX3 Regulates Immune Response and Cell Migration","HDR through Homologous Recombination (HRR)","Stabilization of p53","Homologous DNA Pairing and Strand Exch
ange","Autodegradation of the E3 ubiquitin ligase COP1","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{ATM,ATR}

> <broad_moa>
{"ATM kinase inhibitor","ATR kinase inhibitor"}

> <synonyms>
{CGK733,905973-89-9,905973899,"CGK 733",CGK-733,"ATM/ATR Kinase Inhibitor","Diphenyl acetamidotrichloroethyl fluoronitrophenyl thiourea",CHEMBL1221601,UNII-L3DGZ99QYM,UNIIL3DGZ99QYM,L3DGZ99QYM,EC-000.
1970,EC000.1970,GTPL5929,SCHEMBL1980806,CHEBI:91739,AOB6206,DTXSID30424997,EX-A177,EXA177,T1821,"EMD 118501",2639,118501}

> <pdid>
PD010604

> <targets>
{"Other Apoptosis",ATR/ATM}

> <classes>
{}

> <pubchem_cids>
{6605258}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -2.6044    2.9986    0.0000 C   0  0
   -3.9039    3.7478    0.0000 C   0  0
   -3.9049    5.2478    0.0000 C   0  0
   -2.6064    5.9986    0.0000 C   0  0
   -2.6043    7.4995    0.0000 O   0  0
   -1.3039    8.2489    0.0000 C   0  0
   -1.3018    9.7497    0.0000 C   0  0
   -0.0015   10.4991    0.0000 N   0  0
    0.1405   11.9796    0.0000 C   0  0
    1.6086   12.2873    0.0000 C   0  0
    2.3550   10.9862    0.0000 C   0  0
    1.3481    9.8743    0.0000 C   0  0
   -1.3068    5.2495    0.0000 C   0  0
   -1.3058    3.7495    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -5.1992   -2.9856    0.0000 S   0  0
   -5.1935   -1.4856    0.0000 O   0  0
   -6.4953   -2.2305    0.0000 O   0  0
   -6.5020   -3.7306    0.0000 N   0  0
   -7.7992   -2.9757    0.0000 C   0  0
   -9.1013   -3.7204    0.0000 C   0  0
   -7.7935   -1.4758    0.0000 C   0  0
   -9.0952   -2.2206    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  1  0
 10 19  1  0
 19 20  2  0
 20  7  1  0
  5 21  1  0
 21 22  2  0
 22  2  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 28 30  1  0
 30 31  2  0
 30 32  2  0
 30 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 34 37  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15588

> <plate>
PLATE 004

> <well>
F4

> <supplier_cmpd_name>
Fedratinib

> <ctcr_id>
2863

> <supplier_cmpd_id>
T1995

> <smiles>
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc4cccc(c4)[S](=O)(=O)NC(C)(C)C

> <pd_targets>
{DCLK1,ABL1,CSF1R,EGFR,EPHA3,MAP3K2,CIT,STK38,NEK6,RPS6KA6,ULK2,TAOK2,CDK4,FLT3,ROCK2,KIT,RET,IRAK3,CAMK2B,JAK1,TLK2,INSR,STK11,MYLK4,SBK1,DCLK2,ERBB4,BMPR2,ERN1,EPHB2,CAMK1D,FGFR2,CAMKK1,NEK9,CAMK2G,
LRRK2,WEE2,BRD4,BRDT,IRAK1,BLK,PAK2,MAPK8,RPS6KA1,NEK4,TTK,CLK2,PLK3,BRAF,EPHB1,EPHB6,JAK2,TLK1,LATS2,STK36,IRAK4,TAOK3,MAP3K9,TBK1,SRPK3,COQ8B,MAP3K19,MAP2K2,STK33,MUSK,SIK1,PRKG2,GAK,DAPK3,CDK7,MKNK
1,DDR1,FES,RIPK1,EPHB4,MAP3K13,MAP2K4,JAK3,AURKC,AURKB,STK16,ACVRL1,FGFR3,PHKG2,EIF2AK4,PAK4,STK26,BMP2K,PAK6,CAMK1G,RIOK1,TSSK1B,MYLK2,ZAP70,NTRK1,NEK3,PDGFRB,MAPK6,PIP4K2B,ULK1,PRPF4B,ALK,AURKA,YES1
,PLK4,CHEK1,PIK3CA,DMPK,MYLK,DYRK1B,STK17A,PLK1,SRC,CDK16,PHKG1,STK25,STK39,SIK2,CAMK2A,TNNI3K,MET,TYK2,HCK,LYN,MARK3,MAP3K3,CDK18,MAP4K2,INSRR,COQ8A,FGFR4,FGFR1,MAP3K20,ROCK1,NTRK2,MAPK9,HIPK4,NEK11,
HIPK1,ANKK1,NEK5,PRKAA2,NEK2,CDKL5,RPS6KB1,MAP4K3,TNK1,EPHA4,TAOK1,ITK,HIPK3,CDK15,MAP3K12,CDK17,CLK1,PRKAA1,TEK,IGF1R,MINK1,MAP4K1,ACVR1,BMPR1B,MARK1,MYLK3,CSNK2A1,TNK2,AXL,MAP3K11,ABL2,PI4KB,PIK3CG,
ACVR1B,CAMK1,TGFBR2,EPHA6,PAK5,EPHA8,RIPK4,HIPK2,MARK4,FYN,PKN1,SBK3,IKBKB,FLT1,LIMK1,FGR,SRPK1,WEE1,CASK,STK17B,RPS6KA3,ROS1,EIF2AK1,FLT4,RPS6KA4,EPHA1,RPS6KA5,TIE1,LIMK2,PTK6,STK10,CAMKK2,PLK2,CDK14
,BMX,MATK,MAPK10,CDKL2,NEK1,SLK,NUAK1,NEK7,GRK7,NIM1K,PTK2,CDPK1,ULK3,KDR,EPHA7,NTRK3,CAMK2D,BTK,RPS6KA2,CDK9,CLK4,PIP4K2C,NUAK2,MAP3K7,LTK,PAK1,FER,MAPK7,MAP2K1,RIPK2,PRKD3,PDGFRA,PTK2B,MERTK,DAPK2,A
AK1,PRKG1,SRPK2,DDR2,PIP5K1A,MARK2,MKNK2,PKNB,SRMS,MAP2K3,CSK,SYK,CSNK2A2,FRK,RIOK3,EPHA2,DCLK3,IKBKE,MELK,CILK1,MAP2K5,GRK4,PRKCE,MAP3K4,SGK3,DAPK1,MAPK15,DSTYK,TXK,LCK,TESK1,CHUK,EIF2AK2,SNRK,RIOK2,
MAP3K10,SIK3}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein",Kinase,Transferase,Reader,"Protein Kinase",Bromodomain,"CAMK protein kinase group","TK protein kinase group","STE protein kinase group","AGC prote
in kinase group","Other protein kinase group","CMGC protein kinase group","TKL protein kinase group","Atypical protein kinase group","CAMK protein kinase DCAMK1 family","Tyrosine protein kinase Abl fa
mily","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Eph family","STE protein kinase STE11 family","AGC protein kinase DMPK family","AGC protein 
kinase NDR family","Other protein kinase NEK family","AGC protein kinase RSK family","Other protein kinase ULK family","STE protein kinase STE20 family","Tyrosine protein kinase Ret family","TKL prote
in kinase IRAK family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase JakA family","Other protein kinase TLK family","Tyrosine protein kinase InsR family","CAMK protein kinase CAMK1 famil
y","CAMK protein kinase MLCK family","Other protein kinase NKF1 family","TKL protein kinase STKR family","Tyrosine protein kinase FGFR family","Other protein kinase CAMKK family","TKL protein kinase L
RRK family","Other protein kinase WEE family","Tyrosine protein kinase Src family","CMGC protein kinase MAPK family","Other protein kinase TTK family","CMGC protein kinase CLK family","Other protein k
inase PLK family","TKL protein kinase RAF family","TKL protein kinase MLK family","Other protein kinase IKK family","CMGC protein kinase SRPK family","Atypical protein kinase ABC1 family","STE protein
 kinase STE7 family","CAMK protein kinase unique family","Tyrosine protein kinase Musk family","AGC protein kinase PKG family","Other protein kinase NAK family","CAMK protein kinase DAPK family","CMGC
 protein kinase CDK family","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Fer family","TKL protein kinase RIPK family","Other protein kinase AUR fa
mily","CAMK protein kinase PHk family","Other protein kinase PEK family","Atypical protein kinase RIO family","CAMK protein kinase TSSK family","Tyrosine protein kinase Syk family","Tyrosine protein k
inase Trk family","CMGC protein kinase DYRK family","Tyrosine protein kinase Met family","CMGC protein kinase CDKL family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Tec family","Ty
rosine protein kinase Tie family","Other protein kinase CK2 family","Tyrosine protein kinase Axl family","AGC protein kinase PKN family","Tyrosine protein kinase VEGFR family","TKL protein kinase LISK
 family","Tyrosine protein kinase Sev family","Tyrosine protein kinase Csk family","AGC protein kinase GRK family","Tyrosine protein kinase Fak family","Tyrosine protein kinase Alk family","CAMK prote
in kinase PKD family","CMGC protein kinase RCK family","AGC protein kinase PKC family","AGC protein kinase SGK family","STE protein kinase MEKK2","AGC protein kinase CRIK subfamily","AGC protein kinas
e RSK subfamily","STE protein kinase TAO subfamily","AGC protein kinase ROCK subfamily","CAMK protein kinase LKB subfamily","TKL protein kinase STKR Type 2 subfamily","Other protein kinase Meta subfam
ily","Other protein kinase WEE1","STE protein kinase PAKA subfamily","CMGC protein kinase JNK subfamily","TKL protein kinase MLK subfamily","Atypical protein kinase ABC1-A subfamily","CAMK protein kin
ase QIK subfamily","CMGC protein kinase CDK7 subfamily","CAMK protein kinase MNK subfamily","TKL protein kinase LZK subfamily","TKL protein kinase STKR Type 1 subfamily","Other protein kinase GCN2 sub
family","STE protein kinase PAKB subfamily","STE protein kinase YSK subfamily","Atypical protein kinase RIO1 subfamily","Other protein kinase Nek1","CMGC protein kinase ERK3","CAMK protein kinase CHK1
 subfamily","AGC protein kinase GEK subfamily","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase TAIRE subfamily","STE protein kinase FRAY subfamily","TKL protein kinase HH498 subfamily","CAM
K protein kinase MARK subfamily","CMGC protein kinase PCTAIRE","STE protein kinase KHS subfamily","CMGC protein kinase HIPK subfamily","Other protein kinase Nek11","CAMK protein kinase AMPK subfamily"
,"AGC protein kinase p70 subfamily","CMGC protein kinase PFTAIRE","STE protein kinase MSN subfamily","TKL protein kinase STKR1","Tyrosine protein kinase SrcA","TKL protein kinase LIMK subfamily","Othe
r protein kinase HRI","AGC protein kinase MSK subfamily","STE protein kinase SLK subfamily","Other protein kinase PLK2","CAMK protein kinase NuaK subfamily","AGC protein kinase GRK subfamily","CAMK pr
otein kinase NIM1 subfamily","CMGC protein kinase CDK9 subfamily","TKL protein kinase TAK1 subfamily","CMGC protein kinase ERK5","Tyrosine protein kinase Srm","Atypical protein kinase RIO3 subfamily",
"CAMK protein kinase MELK subfamily","CMGC protein kinase MAK","AGC protein kinase PKC eta subfamily","TKL protein kinase TESK subfamily","Other protein kinase PKR","Atypical protein kinase RIO2 subfa
mily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Kinases (EC 2.7.x.x)","Catalytic receptors","Chromatin modifying enzymes","Bromodomain-containing proteins","CAMK: Calcium/calmodulin-dependent protein kina
ses","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Enzymatic bromodo
main-containing proteins","Non-enzymatic BRD containing proteins",Atypical,"Lipid modifying kinases","DCAMKL family","TK: Tyrosine kinase","STE11 family","DMPK family","NDR family","Other protein kina
ses","RSK family","STE20 family","Cyclin-dependent kinase (CDK) family","TKL: Tyrosine kinase-like","CAMK2 family","CAMK-like (CAMKL) family","Myosin Light Chain Kinase (MLCK) family","CAMK1 family","
Bromodomain kinase (BRDK) family","Mitogen-activated protein kinases (MAP kinases)","CLK family","SRPK family","ABC1 family","STE7 family","CAMK-unique family","Protein kinase G (PKG) family","Death-a
ssociated kinase (DAPK) family","MAPK-Activated Protein Kinase (MAPKAPK) family","Phosphorylase kinase (PHK) family","RIO family","Testis specific kinase (TSSK) family","Type II PIP kinases (1-phospha
tidylinositol-5-phosphate 4-kinase family)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Cyclin-dependent kin
ase-like (CDKL) family","1-phosphatidylinositol 4-kinase family","Protein kinase N (PKN) family","CASK family","G protein-coupled receptor kinases (GRKs)","Protein kinase D (PKD) family","Type I PIP k
inases (1-phosphatidylinositol-4-phosphate 5-kinase family)","RCK family","Protein kinase C (PKC) family","SGK family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Other
 DMPK family kinases","NIMA (never in mitosis gene a)- related kinase (NEK) family","RSK subfamily","Unc-51-like kinase (ULK) family","TAO subfamily","CDK4 subfamily","Rho kinase","Interleukin-1 recep
tor-associated kinase (IRAK) family","Tousled-like kinase (TLK) family","LKB subfamily","NKF1 family","Receptor serine/threonine kinase (RSTK) family","IRE family","CAMKK family","Leucine-rich repeat 
kinase (LRRK) family","WEE family","PAKA subfamily","JNK subfamily","TTK family","Polo-like kinase (PLK) family","RAF family","Mixed Lineage Kinase (MLK) family","IKK family","ABC1-B subfamily","STE20
 subfamily","QIK subfamily","Numb-associated kinase (NAK) family","CDK7 subfamily","MKN subfamily","Receptor interacting protein kinase (RIPK) family","Aurora kinase (Aur) family","NAK family","PEK fa
mily","PAKB subfamily","YSK subfamily","RIO1 subfamily","ERK subfamily","PRP4 subfamily","CHK1 subfamily","GEK subfamily","Dyrk1 subfamily","TAIRE subfamily","FRAY subfamily","MARK subfamily","KHS sub
family","HIPK subfamily","AMPK subfamily","p70 subfamily","MSN subfamily","Casein kinase 2 (CK2) family","LIM domain kinase (LISK) family","MSK subfamily","SLK subfamily","NuaK subfamily","Opsin/rhodo
psin kinases","NIM1 subfamily","CDK9 subfamily","RIO3 subfamily","MELK subfamily","GRK4 subfamily","Eta subfamily","Erk7 subfamily","Other-unique family","SNRK subfamily","RIO2 subfamily","Abl family"
,"Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XIII RTKs: Ephrin receptor family","Type XIV RTKs: RET","Janus kinase (JakA)
 family","Type II RTKs: Insulin receptor family","Type II receptor serine/threonine kinases","Type V RTKs: FGF (fibroblast growth factor) receptor family","Meta subfamily","Src family","MLK subfamily"
,"Type IX RTKs: MuSK","Type XVI RTKs: DDR (collagen receptor) family","Fer family","LZK subfamily","Type I receptor serine/threonine kinases","GCN2 subfamily","Syk family","Type VII RTKs: Neurotrophin
 receptor/Trk family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","HH498 subfamily","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Ack family","Tec family","Type X
II RTKs: TIE family of angiopoietin receptors","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","LIMK subfamily"
,"Type XVII RTKs: ROS receptors","Other PEK family kinases","Csk family","Fak family","TAK1 subfamily","TESK subfamily"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Signal Transduction","Developmental Biology","Cell Cycle","Neuronal System","Immune System","Metabolism of proteins","Extracellular matrix organization","Ci
rcadian Clock","Vesicle-mediated transport","Programmed Cell Death",Metabolism,"Cellular responses to external stimuli","Metabolism of RNA",Autophagy,"DNA Repair","Muscle contraction","Organelle bioge
nesis and maintenance",Hemostasis,"Transport of small molecules","Cell-Cell communication","Infectious disease","RNA Polymerase II Transcription","Signaling by GPCR","Nervous system development","Sign
aling by Rho GTPases",Mitotic,"Transmission across Chemical Synapses","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Innat
e Immune System","Cytokine Signaling in Immune system","Intracellular signaling by second messengers","Signaling by TGFB family members","Unfolded Protein Response (UPR)","Signaling by Non-Receptor Ty
rosine Kinases","Signaling by Hippo","ECM proteoglycans","MAPK family signaling cascades","Membrane Trafficking",Apoptosis,"Non-integrin membrane-ECM interactions","Metabolism of carbohydrates","Cellu
lar responses to stress","rRNA processing","Adaptive Immune System",Macroautophagy,"DNA Double-Strand Break Repair","Cardiac conduction","MTOR signalling","Metabolism of lipids","Signaling by NODAL","
Cilium Assembly","Cell Cycle Checkpoints","Signaling by Hedgehog","Cell surface interactions at the vascular wall","Platelet homeostasis","Ion channel transport","Cell junction organization","Leishman
ia infection","Generic Transcription Pathway","GPCR downstream signalling","Axon guidance","RHO GTPase Effectors","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic G
1 phase and G1/S transition","Signaling by Insulin receptor","Signaling by KIT in disease","Toll-like Receptor Cascades","Interferon Signaling","PIP3 activates AKT signaling","Signaling by BMP","IRE1a
lpha activates chaperones","Signaling by FGFR in disease","Signaling by PTK6","SARS-CoV Infections","HIV Infection","Signaling by NTRKs","MAPK1/MAPK3 signaling","trans-Golgi Network Vesicle Budding","
Caspase activation via extrinsic apoptotic signalling pathway","Signaling by FGFR","Signaling by Interleukins","Glycogen metabolism","Response of EIF2AK4 (GCN2) to amino acid deficiency","Apoptotic ex
ecution phase","rRNA processing in the nucleus and cytosol","TCR signaling","MAPK6/MAPK4 signaling","Selective autophagy","Mitotic G2-G2/M phases","Homology Directed Repair","Ion homeostasis","Oncogen
ic MAPK signaling","Regulation of mitotic cell cycle","mTORC1-mediated signalling","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Cellular Senescence","Signaling by VEGF","Phosph
olipid metabolism","Regulation of signaling by NODAL","Signaling by TGF-beta Receptor Complex in Cancer","Anchoring of the basal body to the plasma membrane","G2/M Checkpoints","Response of EIF2AK1 (H
RI) to heme deficiency","Neutrophil degranulation","Signaling by ERBB2","Hedgehog 'on' state","Signaling by SCF-KIT","Sphingolipid metabolism","Signaling by PDGFR in disease","Clathrin-mediated endocy
tosis","Nitric oxide stimulates guanylate cyclase","Fcgamma receptor (FCGR) dependent phagocytosis","Stimuli-sensing channels","Fc epsilon receptor (FCERI) signaling","Cell-extracellular matrix intera
ctions","Influenza Infection","Parasite infection","Transcriptional Regulation by VENTX","G alpha (q) signalling events","EPH-Ephrin signaling","RHO GTPases activate CIT","Mitotic Prophase","Activatio
n of NMDA receptors and postsynaptic events","G1 Phase","Insulin receptor signalling cascade","Semaphorin interactions","Drug resistance of KIT mutants","RET signaling","Toll Like Receptor 2 (TLR2) Ca
scade","Antiviral mechanism by IFN-stimulated genes","Negative regulation of the PI3K/AKT network","Transcriptional Regulation by TP53","Signaling by FGFR2 in disease","PTK6 promotes HIF1A stabilizati
on","Potential therapeutics for SARS","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX1","Host Interactions of HIV factors","Signaling by NTRK1 (TRKA)","Toll Like Receptor 4 (
TLR4) Cascade","RAF/MAP kinase cascade","Golgi Associated Vesicle Biogenesis","Caspase activation via Dependence Receptors in the absence of ligand","HIV Life Cycle","Signaling by FGFR4","Interleukin-
2 family signaling","Mitotic Metaphase and Anaphase","Signaling by FGFR3 in disease","Glycogen breakdown (glycogenolysis)","Signaling by ROBO receptors","Apoptotic cleavage of cellular proteins","Majo
r pathway of rRNA processing in the nucleolus and cytosol","Generation of second messenger molecules",Mitophagy,"Leishmania parasite growth and survival","G2/M Transition","HDR through Homologous Reco
mbination (HRR) or Single Strand Annealing (SSA)","Signaling by FGFR1 in disease","RHO GTPases activate PAKs","Interferon alpha/beta signaling","Signaling by RAS mutants","Interleukin-1 family signali
ng","APC/C-mediated degradation of cell cycle proteins","IGF1R signaling cascade","Oxidative Stress Induced Senescence","VEGFA-VEGFR2 Pathway","PI Metabolism","Loss of Function of SMAD2/3 in Cancer","
RHO GTPases activate PKNs","VEGF ligand-receptor interactions","G2/M DNA damage checkpoint","L1CAM interactions","Downregulation of ERBB2 signaling","G alpha (i) signalling events","Signaling by NTRK3
 (TRKC)","Sphingolipid de novo biosynthesis","Drug resistance of PDGFR mutants","Cargo recognition for clathrin-mediated endocytosis","cGMP effects","PTK6 Down-Regulation","PTEN Regulation","Role of p
hospholipids in phagocytosis","FCERI mediated Ca+2 mobilization","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","NS1 Mediated Effects on Host Pathways","Leishmani
a phagocytosis","Gastrin-CREB signalling pathway via PKC and MAPK","EPHA-mediated growth cone collapse","Nuclear Envelope Breakdown","Post NMDA receptor activation events","Cyclin D associated events 
in G1","IRS-mediated signalling","Sema4D in semaphorin signaling","Dasatinib-resistant KIT mutants","Toll Like Receptor TLR6:TLR2 Cascade","ISG15 antiviral mechanism",PI5P,"PP2A and IER3 Regulate PI3K
/AKT Signaling","Regulation of TP53 Activity","EPHB-mediated forward signaling","FGFR2 mutant receptor activation","MyD88 cascade initiated on plasma membrane","RUNX1 regulates transcription of genes 
involved in BCR signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Signalling to ERKs","MyD88-independent TLR4 cascade","RAS processing","Late Phase of HIV Life Cycle","Negati
ve regulation of FGFR4 signaling","CRMPs in Sema3A signaling","Interleukin-15 signaling","Mitotic Anaphase","Signaling by FGFR3 point mutants in cancer","Activation of RAC1","Receptor Mediated Mitopha
gy","Anti-inflammatory response favouring Leishmania parasite infection","Centrosome maturation","HDR through Homologous Recombination (HRR)","FGFR1 mutant receptor activation","Regulation of IFNA sig
naling","Signaling downstream of RAS mutants","Interleukin-1 signaling","Downstream signaling of activated FGFR4","Activation of TRKA receptors","Activation of APC/C and APC/C:Cdc20 mediated degradati
on of mitotic proteins","IRS-related events triggered by IGF1R","Role of ABL in ROBO-SLIT signaling","Synthesis of PIPs at the Golgi membrane","Synthesis of PIPs at the plasma membrane","SMAD2/3 Phosp
horylation Motif Mutants in Cancer","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","VEGF binds to VEGFR leading to receptor dimerization","Chk1/Chk2(
Cds1) mediated inactivation of Cyclin B:Cdk1 complex","Assembly and cell surface presentation of NMDA receptors","Recycling pathway of L1","Visual phototransduction","VEGFR2 mediated cell proliferatio
n","Activated NTRK3 signals through PI3K","Imatinib-resistant PDGFR mutants","Interleukin-2 signaling","Regulation of PTEN stability and activity","Signalling to ERK5","Inhibition of PKR","FCGR3A-medi
ated phagocytosis","EGFR Transactivation by Gastrin","Activation of NIMA Kinases NEK9",NEK6,NEK7,"CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","PI3K Cascade","Sema
4D induced cell migration and growth-cone collapse","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Regulation of TP53 Activity through Phosphorylation","Long-term potentiation","Activated po
int mutants of FGFR2","Activation of RAC1 downstream of NMDARs","MAP kinase activation","Nef and signal transduction","Prolonged ERK activation events","TRIF(TICAM1)-mediated TLR4 signaling","Transcri
ption of the HIV genome","Spry regulation of FGF signaling","Separation of Sister Chromatids","FGFR3 mutant receptor activation","Regulation of TP53 Activity through Acetylation","FCGR3A-mediated IL10
 synthesis","Loss of proteins required for interphase microtubule organization from the centrosome","Homologous DNA Pairing and Strand Exchange","Signaling by cytosolic FGFR1 fusion mutants","Signalli
ng to RAS","Sema4D mediated inhibition of cell attachment and migration","FRS-mediated FGFR4 signaling","Signaling by activated point mutants of FGFR1","NGF-independant TRKA activation","APC/C:Cdc20 m
ediated degradation of mitotic proteins","Activation of AMPK downstream of NMDARs","CD163 mediating an anti-inflammatory response","The phototransduction cascade","Nef-mediates down modulation of cell
 surface receptors by recruiting them to clathrin adapters","RSK activation","Ras activation upon Ca2+ influx through NMDA receptor","activated TAK1 mediates p38 MAPK activation","MAPK targets/ Nuclea
r events mediated by MAP kinases","ARMS-mediated activation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Frs2-mediated activation","HIV Transcription Elongation","IKK complex recruitment m
ediated by RIP1","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Signaling by activated point mutants of FGFR3","PI5P Regulates TP53 Acetylation","Loss of Nlp f
rom mitotic centrosomes","Presynaptic phase of homologous DNA pairing and strand exchange","p38MAPK events","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycl
e checkpoint",Inactivation,"recovery and regulation of the phototransduction cascade","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Nef Mediated CD4 Down-regulation","Activation of t
he AP-1 family of transcription factors","CREB phosphorylation","Tat-mediated elongation of the HIV-1 transcript","APC-Cdc20 mediated degradation of Nek2A","ERK/MAPK targets","Formation of HIV-1 elong
ation complex containing HIV-1 Tat","ERKs are inactivated"}

> <broad_targets>
{BRD4,JAK1,JAK2,JAK3,TYK2}

> <broad_moa>
{"FLT3 inhibitor","JAK inhibitor"}

> <synonyms>
{Fedratinib,936091-26-8,936091268,Tg-101348,Tg101348,TG101348,SAR302503,"TG 101348",SAR-302503,"Fedratinib (SAR302503, TG101348)",UNII-6L1XP550I6,UNII6L1XP550I6,"TG101348 (SAR302503)","SAR 302503",CHE
MBL1287853,C27H36N6O3S,6L1XP550I6,"936091-26-8 (free base)","936091268 (free base)",Inrebic,T1995,S2736,SY-TG101348,TG-101348}

> <pdid>
PD003532

> <targets>
{JAK,JAK2,Apoptosis}

> <classes>
{JAK/STAT,Apoptosis,Epigenetics,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{16722836}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    6.4924   -3.7566    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  3
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 13  1  0
 20 21  1  0
 21  8  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15589

> <plate>
PLATE 004

> <well>
F5

> <supplier_cmpd_name>
Kaempferol

> <ctcr_id>
4038

> <supplier_cmpd_id>
T2177

> <smiles>
Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2

> <pd_targets>
{HIF1A,APP,HPGD,LEF,CYP3A4,CYP1A2,CISD1,CSNK2A1,CSNK2A2,CSNK2A3,CSNK2B,GSK3B,EGFR,CYP2C9,AHR,HSD17B2,CYP2D6,ABCB1,DYRK1A,CTDSP1,DPP4,NA,LMNA,CYP1A1,KDM4E,CYP2C19,POL,FABG,CYP1B1,KMT2A,MEN1,MAPT,MAPK10
,DAPK1,ACHE,BCHE,MAPK14,GLO1,XDH,CA7,FLT3,TYR,ALDH1A1,ABCB1A,CDK5,NANH,PIM1,ALOX5,MPO,CYP2A13,CDK5R1,CCNB1,CCNB2,CCNB3,CDK1,FABI,AKR1B1,ALOX15,GAA,CA12,CDK6,HSD17B10,BACE1,CA2,IP6K2,IPMK,GSK3A,AURKB,D
PP3,PSMB5,TRPC5,HSD17B1,ABCG2,ABCC1,NOX4,ESRRA,SLC2A1,AR}

> <pathway_gtopdb>
{"Transcription factor","Membrane receptor",Enzyme,"Unclassified protein",Transporter,"Other nuclear protein","Epigenetic regulator","Other cytosolic protein","Ion channel",Protease,"Cytochrome P450",
Kinase,Oxidoreductase,"Primary active transporter",Phosphatase,Hydrolase,Eraser,Reader,Lyase,Transferase,"Voltage-gated ion channel","Nuclear receptor","Electrochemical transporter","Metallo protease"
,"Cytochrome P450 family 3","Cytochrome P450 family 1","Protein Kinase","Cytochrome P450 family 2","ATP-binding cassette","Protein Phosphatase","Serine protease","Lysine demethylase",Bromodomain,"Cyst
eine protease","Aspartic protease","Threonine protease","Transient receptor potential channel","Nuclear hormone receptor subfamily 3","SLC superfamily of solute carriers","Metallo protease MAE clan","
Cytochrome P450 family 3A","Cytochrome P450 family 1A","Other protein kinase group","CMGC protein kinase group","TK protein kinase group","Cytochrome P450 family 2C","Cytochrome P450 family 2D","ABCB 
subfamily","Serine/threonine protein phosphatase","Serine protease SC clan","Jumonji domain-containing","Cytochrome P450 family 1B","Cysteine protease CA clan","CAMK protein kinase group","Cytochrome 
P450 family 2A","Aspartic protease AA clan","Threonine protease PBT clan","ABCG subfamily","ABCC subfamily","Nuclear hormone receptor subfamily 3 group B","SLC02 family of hexose and sugar alcohol tra
nsporters","Nuclear hormone receptor subfamily 3 group C","Metallo protease M34 family","Cytochrome P450 3A4","Cytochrome P450 1A1","Other protein kinase CK2 family","CMGC protein kinase GSK family","
Tyrosine protein kinase EGFR family","Cytochrome P450 2C9","Cytochrome P450 2D6","CMGC protein kinase DYRK family","Serine protease S9B subfamily","Cytochrome P450 2C19","Cytochrome P450 1B1","Cystein
e protease C1A family","CMGC protein kinase MAPK family","CAMK protein kinase DAPK family","Tyrosine protein kinase PDGFR family","CMGC protein kinase CDK family","CAMK protein kinase PIM family","Asp
artic protease A1A subfamily","Other protein kinase AUR family","Metallo protease M49 family","Threonine protease T1A subfamily","Nuclear hormone receptor subfamily 3 group B member 1","Nuclear hormon
e receptor subfamily 3 group C member 4","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase JNK subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase CDK5 subfamily","CMGC protei
n kinase CDC2 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Ion channels","Eicosanoid turnover","Cytochrome P450","Kinases (EC 2.7.x.x)","Catalytic receptors","Aryl hydrocarbon receptor","1.-.-.- Oxidore
ductases","ATP-binding cassette transporter family","Peptidases and proteinases","Chromatin modifying enzymes","Acetylcholine turnover","Carbonic anhydrases","3.2.1.- Glycosidases","Voltage-gated ion 
channels","NADPH oxidases","Nuclear hormone receptors","SLC superfamily of solute carriers","Prostaglandin synthases","CYP3 family","CYP1 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Recep
tor kinases","CYP2 family: drug metabolising subset","ABCB subfamily","SC: Serine (S) Peptidases","1.14.11.- Histone demethylases","CAMK: Calcium/calmodulin-dependent protein kinases",Lipoxygenases,"A
A: Aspartic (A) Peptidases","MA: Metallo (M) Peptidases","PB: Threonine (T) Peptidases","Transient Receptor Potential channels","ABCG subfamily","ABCC subfamily","3B. Estrogen-related receptors","SLC2
 family of hexose and sugar alcohol transporters","Steroid hormone receptors","Glycogen synthase kinase (GSK) family","TK: Tyrosine kinase","Dual-specificity tyrosine-(Y)-phosphorylation regulated kin
ase (DYRK) family","S9: Prolyl oligopeptidase","Mitogen-activated protein kinases (MAP kinases)","Death-associated kinase (DAPK) family","Cyclin-dependent kinase (CDK) family","PIM family","A1: Pepsin
","Other protein kinases","M49: Dipeptidyl-peptidase III","T1: Proteasome","Class I transporters","3C. 3-Ketosteroid receptors","GSK subfamily","Receptor tyrosine kinases (RTKs)","Dyrk1 subfamily","JN
K subfamily","p38 subfamily","CDK5 subfamily","CDK4 subfamily","Aurora kinase (Aur) family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor
 family"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Immune System",Metabolism,Disease,"Signal Transduction","Cell Cycle","Metabolism of proteins","Neuronal System","Programmed Cell Death","Gene expression (Tra
nscription)","Transport of small molecules","Developmental Biology","Cellular responses to stress","Innate Immune System","Metabolism of lipids","Infectious disease","Biological oxidations","Signaling
 by GPCR","Abacavir transport and metabolism",Mitotic,"Peptide hormone metabolism","Transmission across Chemical Synapses",Apoptosis,"The citric acid (TCA) cycle and respiratory electron transport","M
etabolism of nucleotides","Reversible hydration of carbon dioxide","Signaling by Receptor Tyrosine Kinases","Metabolism of amino acids and derivatives","RNA Polymerase II Transcription","Diseases of s
ignal transduction by growth factor receptors and second messengers","Diseases of metabolism","Amyloid fiber formation","O2/CO2 exchange in erythrocytes","Cytokine Signaling in Immune system","Inosito
l phosphate metabolism","Nervous system development","Disorders of transmembrane transporters","Cellular response to hypoxia","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving me
diators (SPMs)","Uptake and actions of bacterial toxins","Phase I - Functionalization of compounds","SARS-CoV Infections","GPCR downstream signalling","Metabolism of steroids","Abacavir transmembrane 
transport","Mitotic G1 phase and G1/S transition","Incretin synthesis",secretion,"and inactivation","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Caspase activation via 
extrinsic apoptotic signalling pathway","Phospholipid metabolism","Pyruvate metabolism and Citric Acid (TCA) cycle","Nucleobase catabolism","Signaling by Insulin receptor","Melanin biosynthesis","Gene
ric Transcription Pathway","FLT3 signaling in disease","ROS and RNS production in phagocytes","Diseases of carbohydrate metabolism","Influenza Infection","Branched-chain amino acid catabolism","Erythr
ocytes take up carbon dioxide and release oxygen","Interferon Signaling","Synthesis of IPs in the nucleus","Regulation of mitotic cell cycle","Axon guidance","Fatty acid metabolism","SLC transporter d
isorders","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Uptake and function of anthrax toxins","C
ytochrome P450 - arranged by substrate type","SARS-CoV-1 Infection","G alpha (q) signalling events","Metabolism of steroid hormones","G0 and Early G1",Synthesis,"and inactivation of Glucagon-like Pept
ide-1 (GLP-1)","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Caspase activation via Dependence Receptors in the absence of ligand","Glycerophospholipid biosy
nthesis","Pyruvate metabolism","Purine catabolism","Insulin receptor signalling cascade","Ethanol oxidation","Transcriptional Regulation by TP53","Signaling by FLT3 ITD and TKD mutants","Biosynthesis 
of DPA-derived SPMs","Events associated with phagocytolytic activity of PMN cells","Glycogen storage diseases","Virus Assembly and Release","G1 Phase","Interferon alpha/beta signaling","APC/C-mediated
 degradation of cell cycle proteins","Netrin-1 signaling","G alpha (i) signalling events","Arachidonic acid metabolism","Transcriptional regulation by RUNX2","Defective SLC2A1 causes GLUT1 deficiency 
syndrome 1 (GLUT1DS1)","MyD88 cascade initiated on plasma membrane","Biosynthesis of D-series resolvins","Biosynthesis of maresins",Xenobiotics,"SARS-CoV-1 Genome Replication and Transcription","Gastr
in-CREB signalling pathway via PKC and MAPK","Endogenous sterols","Estrogen biosynthesis","Mitotic Anaphase","Post NMDA receptor activation events","Synthesis of PC","IRS-mediated signalling","Regulat
ion of TP53 Activity","STAT5 activation downstream of FLT3 ITD mutants","Biosynthesis of DPAn-3 SPMs","Pregnenolone biosynthesis","Glycogen storage disease type II (GAA)","Assembly of Viral Components
 at the Budding Site","Cyclin D associated events in G1","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Role of second messengers in netrin-1 signaling","Visual photot
ransduction","Synthesis of Leukotrienes (LT) and Eoxins (EX)","Regulation of RUNX2 expression and activity","RUNX2 regulates bone development","TAK1 activates NFkB by phosphorylation and activation of
 IKKs complex","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Replication of the SARS-CoV-1 genome","EGFR Transactivation by Gastrin","CYP2E1 r
eactions","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","MAP kinase activation","PI3K Cascade","Regulation of TP53 Activity through Phosphorylation","Biosynthesis of DPA
n-3-derived 13-series resolvins","Biosynthesis of DPAn-3-derived protectins and resolvins","Transport of HA trimer","NA tetramer and M2 tetramer from the endoplasmic reticulum to the Golgi Apparatus",
"Separation of Sister Chromatids","APC/C:Cdc20 mediated degradation of mitotic proteins","The canonical retinoid cycle in rods (twilight vision)","RUNX2 regulates osteoblast differentiation","Initiati
on of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint
","Activation of the AP-1 family of transcription factors","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{AKR1B1,ALOX15B,ALOX5,AR,CYP1B1,GLO1,HSD17B1,UGT3A1}

> <broad_moa>
{"bone resorption inhibitor","estrogen-related receptor inverse agonist"}

> <synonyms>
{"Indigo Yellow",kaempferol,520-18-3,520183,Kempferol,Robigenin,Kaempherol,Rhamnolutein,Populnetin,Trifolitin,"3,4',5,7-Tetrahydroxyflavone","3,4',5,7Tetrahydroxyflavone",Pelargidenolon,Rhamnolutin,Sw
artziol,Kampherol,Campherol,Kampferol,Kaemferol,Nimbecetin,3,5,7-Trihydroxy-2-(4-,7Trihydroxy2(4,T2177,S2314,Kaempferol}

> <pdid>
PD000231

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{5280863}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    1.0161   -3.6157    0.0000 O   0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
    0.0000    2.7767    0.0000 C   0  0
    1.1393    3.7252    0.0000 O   0  0
    0.5656    5.1112    0.0000 C   0  0
   -0.9298    4.9939    0.0000 C   0  0
   -1.2803    3.5354    0.0000 C   0  0
    1.3500    6.3906    0.0000 C   0  0
    2.8171    6.6037    0.0000 S   0  0
    3.0525    8.0851    0.0000 C   0  0
    4.3863    8.7675    0.0000 C   0  0
    4.4634   10.2655    0.0000 O   0  0
    1.7163    8.7668    0.0000 C   0  0
    0.6551    7.7066    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  3  2  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  8  2  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  2  0
 18 19  1  0
 19 13  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15590

> <plate>
PLATE 004

> <well>
F6

> <supplier_cmpd_name>
RITA

> <ctcr_id>
5350

> <supplier_cmpd_id>
T1798

> <smiles>
OCc1sc(cc1)c2oc(cc2)c3sc(CO)cc3

> <pd_targets>
{HPGD,ALDH1A1,KMT2A,MEN1,RORC,GLA,MAPT}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor","Other cytosolic protein",Oxidoreductase,Reader,"Nuclear receptor",Hydrolase,Protease,Bromodomain,"Nuclear hormone receptor subfamily 1","Cysteine
 protease","Nuclear hormone receptor subfamily 1 group F","Cysteine protease CA clan","Nuclear hormone receptor subfamily 1 group F member 3","Cysteine protease C1A family"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","Nuclear hormone receptors","Prostaglandin synthases","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Neuronal System","Metabolism of lipids","Biological oxidations","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Biosynthesis o
f specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Generic Transcription Pathway","Sphingolipid metabolism","Neurotransmitter receptors and postsynaptic signal tr
ansmission","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Transcriptional regulation by RUNX3","Glycosphingolipid metabolism","Activation of NMDA receptors and postsynaptic events","Biosynth
esis of D-series resolvins","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA receptor activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{MDM2}

> <broad_moa>
{"MDM inhibitor"}

> <synonyms>
{RITA,213261-59-7,213261597,"NSC 652287","RITA (NSC 652287)","p53 Activator III, RITA","5,5'-(2,5-Furandiyl)bis-2-thiophenemethanol","5,5'(2,5Furandiyl)bis2thiophenemethanol","SOS BISMETHANOL","(5,5'-
(furan-2,5-diyl)bis(thiophene-5,2-diyl))dimethanol","(5,5'(furan2,5diyl)bis(thiophene5,2diyl))dimethanol",(5-(5-(5-(hydroxymethyl)thiophen-2-yl)furan,(5(5(5(hydroxymethyl)thiophen2yl)furan,T1798,2443,
NSC652287}

> <pdid>
PD003583

> <targets>
{Autophagy,DNA Alkylator/Crosslinker,MDM-2/p53}

> <classes>
{Apoptosis,Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{374536}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
   11.6164    2.7035    0.0000 C   0  0
   11.1693    4.1353    0.0000 C   0  0
   12.1858    5.2384    0.0000 C   0  0
   11.7388    6.6702    0.0000 C   0  0
   10.2753    6.9990    0.0000 C   0  0
    9.2588    5.8959    0.0000 C   0  0
    9.7057    4.4640    0.0000 C   0  0
    8.6864    3.3624    0.0000 C   0  0
    9.1310    1.9298    0.0000 O   0  0
    7.2226    3.6934    0.0000 N   0  0
    6.2033    2.5918    0.0000 C   0  0
    4.7397    2.9206    0.0000 C   0  0
    3.7233    1.8175    0.0000 C   0  0
    4.1703    0.3856    0.0000 C   0  0
    5.6339    0.0569    0.0000 C   0  0
    6.0810   -1.3749    0.0000 C   0  0
    6.6503    1.1600    0.0000 C   0  0
    3.1510   -0.7161    0.0000 C   0  0
    3.5956   -2.1486    0.0000 O   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1476   -0.7184    0.0000 O   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
   -1.5000   -5.4558    0.0000 Cl  0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 11  1  0
 14 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 31  1  0
 31 32  2  0
 32 20  1  0
 32 26  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15591

> <plate>
PLATE 004

> <well>
F7

> <supplier_cmpd_name>
Tolvaptan

> <ctcr_id>
975

> <supplier_cmpd_id>
T2326

> <smiles>
Cc1ccccc1C(=O)Nc2ccc(c(C)c2)C(=O)N3CCCC(O)c4cc(Cl)ccc34

> <pd_targets>
{AVPR2,AVPR1A,ABCB11}

> <pathway_gtopdb>
{"Membrane receptor",Transporter,"Family A G protein-coupled receptor","Primary active transporter","Peptide receptor (family A GPCR)","ATP-binding cassette","Short peptide receptor (family A GPCR)","
ABCB subfamily","Vasopressin and oxytocin receptor"}

> <pathway_chembl>
{Receptors,Transporters,"G protein-coupled receptors","ATP-binding cassette transporter family","Vasopressin and oxytocin receptors","ABCB subfamily"}

> <pathway_reactome>
{Disease,"Signal Transduction",Metabolism,"Infectious disease","Signaling by GPCR","Metabolism of lipids","Leishmania infection","GPCR ligand binding","Metabolism of steroids","Leishmania parasite gro
wth and survival","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism","Anti-inflammatory response favouring Leishmania parasite infection","Peptide ligand-binding receptors","S
ynthesis of bile acids and bile salts","ADORA2B mediated anti-inflammatory cytokines production","Vasopressin-like receptors","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{AVPR1A,AVPR2}

> <broad_moa>
{"vasopressin receptor antagonist"}

> <synonyms>
{Tolvaptan,150683-30-0,150683300,Samsca,OPC-41061,OPC41061,"OPC 41061",Tolvaptan-d7,Tolvaptand7,"Tolvaptan (OPC-41061)","Tolvaptan (OPC41061)",CHEMBL344159,NCGC00183001-01,NCGC0018300101,C26H25ClN2O3,
"benzazepine derivative, 32","Tolvaptan (USAN:INN:BAN)","HSDB 8196",1246818-18-7,1246818187,DSSTox_CID_28706,DSSToxCID28706,DSSTox-CID-28706,"DSSTox CID 28706",DSSTox_RID_82975,DSSToxRID82975,DSSTox-R
ID-82975,"DSSTox RID 82975",T2326,S2593}

> <pdid>
PD009317

> <targets>
{"Estrogen/progestogen Receptor","Vasopressin Receptor"}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{216237}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 45 51  0  0  0  0            999 V2000
    7.7042   -1.3402    0.0000 C   0  0
    6.4217   -0.5622    0.0000 O   0  0
    5.1039   -1.2848    0.0000 C   0  0
    5.1305   -2.5962    0.0000 C   0  0
    3.8811   -3.3228    0.0000 C   0  0
    3.8988   -4.6077    0.0000 C   0  0
    2.6671   -5.2545    0.0000 C   0  0
    1.5418   -4.5368    0.0000 N   0  0
    0.2216   -5.2488    0.0000 C   0  0
    1.5595   -3.2520    0.0000 C   0  0
    0.4342   -2.5254    0.0000 C   0  0
   -0.7266   -3.1722    0.0000 C   0  0
   -0.7266   -4.5368    0.0000 C   0  0
   -1.9760   -5.1836    0.0000 C   0  0
   -3.1190   -4.5368    0.0000 C   0  0
   -4.4148   -5.2924    0.0000 O   0  0
   -3.1190   -3.1722    0.0000 C   0  0
   -6.8583   -2.2152    0.0000 O   0  0
   -5.4495   -0.5405    0.0000 C   0  0
   -4.2710   -1.1696    0.0000 C   0  0
   -3.1013   -0.3722    0.0000 C   0  0
   -3.1190    0.9038    0.0000 C   0  0
   -1.9937    1.5772    0.0000 C   0  0
   -1.9937    2.9241    0.0000 C   0  0
   -3.1456    3.6153    0.0000 N   0  0
   -4.4509    2.8762    0.0000 C   0  0
   -3.1456    5.0064    0.0000 C   0  0
   -1.9937    5.6976    0.0000 C   0  0
   -0.8241    5.0064    0.0000 C   0  0
    0.3633    5.6444    0.0000 C   0  0
    1.5418    4.9533    0.0000 C   0  0
    2.8481    5.6952    0.0000 O   0  0
    2.8598    7.1952    0.0000 C   0  0
    1.5418    3.6153    0.0000 C   0  0
    2.8512    2.8786    0.0000 O   0  0
    4.1422    3.6424    0.0000 C   0  0
    0.3633    2.9241    0.0000 C   0  0
    3.1368    1.6481    0.0000 O   0  0
    3.9342   -0.5582    0.0000 C   0  0
    2.7026   -1.2405    0.0000 C   0  0
    2.7026   -2.5962    0.0000 C   0  0
   -0.8241    3.6153    0.0000 C   0  0
   -4.2887    1.5772    0.0000 C   0  0
   -5.4760    0.8595    0.0000 C   0  0
   -1.9760   -2.5076    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 31 34  2  0
 34 35  1  0
 35 36  1  0
 34 37  1  0
 37 38  1  0
 38 39  1  0
 39  3  1  0
 39 40  2  0
 40 41  1  0
 41  5  2  0
 41 10  1  0
 37 42  2  0
 42 24  1  0
 42 29  1  0
 22 43  1  0
 43 44  2  0
 44 19  1  0
 17 45  2  0
 45 12  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15592

> <plate>
PLATE 004

> <well>
F8

> <supplier_cmpd_name>
Berbamine dihydrochloride

> <ctcr_id>
5110

> <supplier_cmpd_id>
T2920

> <smiles>
COc1cc2CCN(C)C3Cc4ccc(O)c(Oc5ccc(CC6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)cc5)c4

> <pd_targets>
{LEF,CYP3A4,PDE1A,CHRM1,CHRM2,CHRM3,CHRM4,CHRM5,HSD17B10,REP}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Protease,"Cytochrome P450",Phosphodiesterase,"Family A G protein-coupled receptor",Oxidoreductase,Transferase,"Metallo protease","Cytochrome P450 family 3","Phosphodiestera
se 1","Small molecule receptor (family A GPCR)","Metallo protease MAE clan","Cytochrome P450 family 3A","Phosphodiesterase 1A","Monoamine receptor","Metallo protease M34 family","Cytochrome P450 3A4",
"Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Cytochrome P450","Cyclic nucleotide turnover/signalling","Anti-infective targets","CYP3 family",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","Viral protein tar
gets","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{Disease,Metabolism,"Signal Transduction","Infectious disease","Metabolism of lipids","Intracellular signaling by second messengers","Metabolism of amino acids and derivatives","Uptake and actions of 
bacterial toxins","Biosynthesis of specialized proresolving mediators (SPMs)","DAG and IP3 signaling","Branched-chain amino acid catabolism","SARS-CoV Infections","Uptake and function of anthrax toxin
s","Biosynthesis of DHA-derived SPMs","CaM pathway","SARS-CoV-2 Infection","Biosynthesis of maresins","Calmodulin induced events","SARS-CoV-2 Genome Replication and Transcription","Biosynthesis of mar
esin-like SPMs","Cam-PDE 1 activation","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{N-Methylsepeerine,NMethylsepeerine,Oxycanthine,"6,6',7-Trimethoxy-2,2'-dimethyloxyacanthan-12'-ol","6,6',7Trimethoxy2,2'dimethyloxyacanthan12'ol",NSC645315,NSC93135,NSC-645315,"Vovkin 9",HMS3347D01,N
SC-93135,STL565384,AKOS000277740,MCULE-6327057075,MCULE6327057075,NCI60_015453,NCI60015453,NCI60-015453,"NCI60 015453",ST023295,6,6'7-Trimethoxy-2,6'7Trimethoxy2,2'-dimethyl-Oxya,2'dimethylOxya,T3S080
7,T2920,"NSC 93135",Berbamine,"Berbamine dihydrochloride"}

> <pdid>
PD011264

> <targets>
{Bcr-Abl}

> <classes>
{}

> <pubchem_cids>
{371257}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 36  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0  1  0  0  0
   -5.1953    1.5031    0.0000 O   0  0
   -5.1932    3.0039    0.0000 C   0  0
   -3.8929    3.7516    0.0000 O   0  0
   -6.4914    3.7570    0.0000 C   0  0
   -6.4915    5.2570    0.0000 C   0  0
   -7.7905    6.0070    0.0000 C   0  0
   -7.7905    7.5070    0.0000 O   0  0
   -9.0896    5.2570    0.0000 C   0  0
  -10.3886    6.0071    0.0000 O   0  0
   -9.0896    3.7570    0.0000 C   0  0
  -10.3886    3.0071    0.0000 O   0  0
   -7.7906    3.0070    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -5.1993   -3.0005    0.0000 C   0  0
   -6.4995   -3.7484    0.0000 C   0  0
   -6.5019   -5.2484    0.0000 O   0  0
   -7.7973   -2.9964    0.0000 C   0  0
   -9.0976   -3.7443    0.0000 O   0  0
   -7.7950   -1.4964    0.0000 C   0  0
   -9.0928   -0.7443    0.0000 O   0  0
   -6.4947   -0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  6
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 20 12  1  0
  8 21  1  0
 21 22  1  0
 22 23  1  0
 23  6  1  0
 23 24  2  0
 24  2  1  0
 21 25  1  6
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 33 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15593

> <plate>
PLATE 004

> <well>
F9

> <supplier_cmpd_name>
(-)-Epigallocatechin Gallate

> <ctcr_id>
1029

> <supplier_cmpd_id>
T2988

> <smiles>
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4cc(O)c(O)c(O)c4

> <pd_targets>
{PGD,CREBBP,HSPD1,HSPE1,RAD52,FABG,MET,MAPT,POS-1,DYRK1A,APP,KAT2B,REP,POL,FABI,BCL2,MMP14,POLB,ZWF1,RECQL,GAA,BACE1,TERT,PIN1,KAT5,TTR,GROES,GROL,STAT1,SQLE,MMP2,ELANE,TDP1,PKM,FASN,PTGES,CNR1,PSMB5,
FABZ,MEX-5,KMT2A,MEN1,EP300,TST,ATP2A1,CNR2,KDM4E,TGR,FFP,MAPK14,MMP7,ALD,DPP4,MAPKAPK5,ABCB1,NS3,DNMT1,PGAM1,HSP90AB1,APEX1,CYP3A4,HSD17B10,KCNH2,MAPK1,BLM,GALK1,ALDH1A1,ALOX15,USP2,HPGD}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein","Other nuclear protein","Transcription factor","Membrane receptor","Ion channel","Secreted protein","Unclassified protein",Transporter,Oxidored
uctase,Writer,Kinase,Transferase,Hydrolase,"Other ion channel",Protease,Isomerase,Reader,"Family A G protein-coupled receptor","Primary active transporter",Eraser,"Histone acetyltransferase","Protein 
Kinase","Miscellaneous ion channel","Metallo protease","Aspartic protease","Methyl-lysine/arginine binding protein","Serine protease","Small molecule receptor (family A GPCR)","Threonine protease",Bro
modomain,"P-type ATPase","Lysine demethylase","ATP-binding cassette","DNA methyltransferase","p300/CBP family","TK protein kinase group","CMGC protein kinase group","GNAT family","Bcl-2 family","Metal
lo protease MAM clan","Aspartic protease AA clan",Chromodomain,"Serine protease PA clan","Lipid-like ligand receptor (family A GPCR)","Threonine protease PBT clan","Calcium ATPase","Jumonji domain-con
taining","Serine protease SC clan","CAMK protein kinase group","ABCB subfamily","Tyrosine protein kinase Met family","CMGC protein kinase DYRK family","Metallo protease M10A subfamily","Aspartic prote
ase A1A subfamily","Serine protease S1A subfamily","Cannabinoid receptor","Threonine protease T1A subfamily","CMGC protein kinase MAPK family","Serine protease S9B subfamily","CAMK protein kinase MAPK
APK family","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase p38 subfamily","CAMK protein kinase MAPKAPK subfamily","Cytochrome P450","Voltage-gated ion channel","Cytochrome P450 family 3","
Potassium channels","Cysteine protease","Cytochrome P450 family 3A","Voltage-gated potassium channel","Cysteine protease CA clan","Cytochrome P450 3A4","Cysteine protease C19 family","CMGC protein kin
ase ERK1"}

> <pathway_chembl>
{"Other protein targets",Receptors,Enzymes,Transporters,"Bromodomain-containing proteins","Catalytic receptors","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Anti-infective targets","B-cell ly
mphoma 2 (Bcl-2) protein family","Peptidases and proteinases","3.2.1.- Glycosidases","Peptidyl-prolyl cis/trans isomerases",Transthyretin,"Lanosterol biosynthesis pathway","2.7.1.40 Pyruvate kinases",
"2.3.1.-  Acyltransferases","Eicosanoid turnover","G protein-coupled receptors","P-type ATPases","ATP-binding cassette transporter family","2.1.1.- Methyltransferases","Non-enzymatic BRD containing pr
oteins","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","2.3.1.48 Histone acetyltransferases (HATs)","Viral protein targets","MA: Metallo (M) Peptidases","AA: Aspartic (A) Peptidase
s","PA: Serine (S) Peptidases","Prostaglandin synthases","Cannabinoid receptors","PB: Threonine (T) Peptidases","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","1.14.11.- Histone demethylases","SC: Seri
ne (S) Peptidases","CAMK: Calcium/calmodulin-dependent protein kinases","ABCB subfamily","TK: Tyrosine kinase","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Coronavir
us (CoV) proteins","M10: Matrix metallopeptidase","A1: Pepsin","S1: Chymotrypsin","T1: Proteasome","Mitogen-activated protein kinases (MAP kinases)","S9: Prolyl oligopeptidase","MAPK-Activated Protein
 Kinase (MAPKAPK) family","Receptor tyrosine kinases (RTKs)","Dyrk1 subfamily","p38 subfamily","MAPKAPK subfamily","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Heat shock proteins","
Ion channels","Cytochrome P450","Voltage-gated ion channels","CYP3 family","Potassium channels",Lipoxygenases,"CA: Cysteine (C) Peptidases","Voltage-gated potassium channels","C19: Ubiquitin-specific 
protease","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","DNA Repair","Developmental Biology","Neuronal System","Cell Cycle","Immune System",Disease,"Extracellular matrix organization","Metabolism of proteins","
Signal Transduction",Hemostasis,"Metabolism of carbohydrates","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Nervous system development","Transmission across Chemical Synapses",Mi
totic,"Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Infectious disease","Degradation of the extracellular matrix","Base Excision Repair","D
iseases of metabolism","Amyloid fiber formation","Chromosome Maintenance","Signaling by GPCR","Metabolism of lipids","Metabolism of amino acids and derivatives","Platelet homeostasis","Signaling by Nu
clear Receptors","Peptide hormone metabolism","Abacavir transport and metabolism","Post-translational protein modification","Pentose phosphate pathway","Generic Transcription Pathway","Homology Direct
ed Repair","Axon guidance","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic G1 phase and G1/S transition","Toll-like Receptor Cascades","Signaling by NOTCH1 in Cancer","SARS-
CoV Infections","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling pathways","Activation of Matrix Metalloproteinases","Resolution of Abasic Sites (AP sites)","Diseas
es of carbohydrate metabolism","Telomere Maintenance","GPCR downstream signalling","Signaling by FGFR in disease","Metabolism of steroids","Complement cascade","Nonhomologous End-Joining (NHEJ)","Gluc
ose metabolism","Fatty acid metabolism","Regulation of mitotic cell cycle","Sulfur amino acid metabolism","Platelet calcium homeostasis","ESR-mediated signaling","Incretin synthesis",secretion,"and in
activation","Abacavir transmembrane transport",SUMOylation,"Transcriptional Regulation by TP53","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Semaphorin interactions",
"Activation of NMDA receptors and postsynaptic events","G0 and Early G1","Toll Like Receptor 5 (TLR5) Cascade","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","SARS-CoV-2 Infection",Inflammasom
es,"Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Glycogen storage diseases","Extension of Telomeres","G alpha (i) signalling events","Signaling by FGFR1 in disease","
Regulation of cholesterol biosynthesis by SREBP (SREBF)","EPH-Ephrin signaling","Regulation of Complement cascade",Glycolysis,"Arachidonic acid metabolism","APC/C-mediated degradation of cell cycle pr
oteins","Degradation of cysteine and homocysteine","Reduction of cytosolic Ca++ levels","Extra-nuclear estrogen signaling",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","SUMO E3 liga
ses SUMOylate target proteins",Gluconeogenesis,"TP53 Regulates Transcription of Cell Death Genes","HDR through Single Strand Annealing (SSA)","Sema4D in semaphorin signaling","Post NMDA receptor activ
ation events","MyD88 cascade initiated on plasma membrane","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","SARS-CoV-2 Genome Replication and Transcription","The NLRP1 inflammasome","PCNA-De
pendent Long Patch Base Excision Repair","Glycogen storage disease type II (GAA)","Telomere Extension By Telomerase","Regulation of TP53 Activity","HDR through Homologous Recombination (HRR)","Visual 
phototransduction","FGFR1 mutant receptor activation","Activation of gene expression by SREBF (SREBP)","EPH-ephrin mediated repulsion of cells","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)"
,"Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Sulfide oxidation to sulfate","SUMOylation of DNA methylation proteins","TP53 Regulates Transcription of Genes Involved
 in Cytochrome C Release","Sema4D mediated inhibition of cell attachment and migration","Activation of AMPK downstream of NMDARs","TAK1 activates NFkB by phosphorylation and activation of IKKs complex
","Replication of the SARS-CoV-2 genome","Regulation of TP53 Activity through Acetylation","Homologous DNA Pairing and Strand Exchange","The canonical retinoid cycle in rods (twilight vision)","Signal
ing by cytosolic FGFR1 fusion mutants","APC/C:Cdc20 mediated degradation of mitotic proteins","MAP kinase activation","Regulation of TP53 Activity through Phosphorylation","PI5P Regulates TP53 Acetyla
tion","Presynaptic phase of homologous DNA pairing and strand exchange","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","MAPK targets/ Nuclear
 events mediated by MAP kinases","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Activation of the AP-1 family of transcription factors","Mitotic G2-G2/M phases","G2/M Transition","The role of
 GTSE1 in G2/M progression after G2 checkpoint","Muscle contraction","Cardiac conduction","Biological oxidations","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid
 catabolism","Phase 3 - rapid repolarisation","Diseases of glycosylation","Phase I - Functionalization of compounds","Biosynthesis of DHA-derived SPMs","Diseases associated with glycosylation precurso
r biosynthesis","Ethanol oxidation","Biosynthesis of DPA-derived SPMs","Biosynthesis of maresins","Defective GALK1 can cause Galactosemia II (GALCT2)","Biosynthesis of DPAn-3 SPMs","Biosynthesis of D-
series resolvins","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation","ERK/MA
PK targets","ERKs are inactivated"}

> <broad_targets>
{ELANE,EP300,FASN,KAT2B,MMP14,MMP2}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{"(-)-Epigallocatechin gallate","()Epigallocatechin gallate",EGCG,"Epigallocatechin gallate",989-51-5,989515,"Epigallocatechin 3-gallate","Epigallocatechin 3gallate",Epigallocatechin-3-gallate,Epigall
ocatechin3gallate,"Tea catechin",(-)-Epigallocatechin-3-o-gallate,()Epigallocatechin3ogallate,Epigallocatechin-3-monogallate,Epigallocatechin3monogallate,Teavigo,"(-)-Epigallocatechol galla","()Epigal
locatechol galla",T3807,T2988,S2250,SAM001247031,210239,"(-)-Gallocatechin gallate","(-)-Epigallocatechin Gallate","epigallocatechin-3-monogallate
((-)-Epigallocatechin Gallate)",CPD000449288,EPIGALLOCATECHIN-3-MONOGALLATE}

> <pdid>
PD002148

> <targets>
{"DNA Methyltransferase",HER2,Telomerase,EGFR,"Fatty Acid Synthase",Autophagy,"Endogenous Metabolite",Ferroptosis,HIV,"Mitochondrial Metabolism","Reactive Oxygen Species"}

> <classes>
{Anti-infection,Apoptosis,Autophagy,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{65064}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 32  0  0  1  0            999 V2000
    3.4598    0.0000    0.0000 C   0  0
    1.9598    0.0000    0.0000 C   0  0  2  0  0  0
    1.3858    1.3858    0.0000 C   0  0
    0.0000    1.9598    0.0000 C   0  0
    0.1949    3.4492    0.0000 C   0  0
   -0.9952    4.3623    0.0000 C   0  0
   -2.3810    3.7883    0.0000 C   0  0
   -2.5768    2.3011    0.0000 C   0  0
   -1.3858    1.3858    0.0000 C   0  0
   -1.9598    0.0000    0.0000 C   0  0
   -3.4492    0.1949    0.0000 C   0  0
   -4.3623   -0.9952    0.0000 C   0  0
   -3.7883   -2.3810    0.0000 C   0  0
   -2.3011   -2.5768    0.0000 C   0  0
   -1.3858   -1.3858    0.0000 C   0  0
    0.0000   -1.9598    0.0000 C   0  0
    1.3858   -1.3858    0.0000 C   0  0  2  0  0  0
    2.4465   -2.4465    0.0000 C   0  0
   -4.6995   -3.5736    0.0000 O   0  0
   -4.1235   -4.9586    0.0000 C   0  0
   -5.8507   -0.8023    0.0000 O   0  0
   -6.7622   -1.9937    0.0000 C   0  0
   -4.4663    1.2985    0.0000 O   0  0
   -5.9300    0.9707    0.0000 C   0  0
   -3.9650    1.7307    0.0000 O   0  0
   -5.1530    2.6464    0.0000 C   0  0
   -3.5736    4.6995    0.0000 O   0  0
   -4.9586    4.1235    0.0000 C   0  0
   -0.7962    5.8499    0.0000 O   0  0
    0.5904    6.4220    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 17  2  1  0
 17 18  1  1
 13 19  1  0
 19 20  1  0
 12 21  1  0
 21 22  1  0
 11 23  1  0
 23 24  1  0
  8 25  1  0
 25 26  1  0
  7 27  1  0
 27 28  1  0
  6 29  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15594

> <plate>
PLATE 004

> <well>
F10

> <supplier_cmpd_name>
Schizandrin A

> <ctcr_id>
11419

> <supplier_cmpd_id>
T2926

> <smiles>
C[C@@H]1Cc2cc(c(c(c2c2c(c(c(cc2C[C@@H]1C)OC)OC)OC)OC)OC)OC

> <pd_targets>
{NR1I2,ATM,ABCC1,RORC,STX1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,Transporter,"Nuclear receptor",Kinase,"Primary active transporter","Nuclear hormone receptor subfamily 1","Protein Kinase","ATP-binding cassette","Nuclear hormone recept
or subfamily 1 group I","Atypical protein kinase group","ABCC subfamily","Nuclear hormone receptor subfamily 1 group I member 2","Atypical protein kinase PIKK family","Unclassified protein","Nuclear h
ormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","1I. Vitamin D receptor-like receptors",Atypical,"ABCC subfamily","Phosphat
idyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK family kinases","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Metabolism of proteins","Cell Cycle",Metabolism,"Post-translational protein modification","Cell Cycle Checkpoints","Metabolism of lipids",SUMOylation,"G1/S DNA Damage Checkpoints","Fatty acid metabo
lism","SUMO E3 ligases SUMOylate target proteins","p53-Dependent G1/S DNA damage checkpoint","Arachidonic acid metabolism","SUMOylation of intracellular receptors","p53-Dependent G1 DNA Damage Respons
e","Synthesis of Leukotrienes (LT) and Eoxins (EX)","Stabilization of p53","Autodegradation of the E3 ubiquitin ligase COP1","Gene expression (Transcription)","RNA Polymerase II Transcription","Generi
c Transcription Pathway","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Q15410931,"Schizandrin A","schisandrin A",61281-38-7,61281387,Deoxyschizandrin,Deoxyschisandrin,(-)-Deoxyschizandrin,()Deoxyschizandrin,UNII-74XQL5DO3S,UNII74XQL5DO3S,74XQL5DO3S,69176-53-0,69176530,"
Dimethylgomisin J","Wuweizisu A",hexamethoxy(dimethyl)(?),"Di-O-methylgomisin J","DiOmethylgomisin J",(-)-Deoxyschis,()Deoxyschis,T2926}

> <pdid>
PD046499

> <targets>
{CYP3A}

> <classes>
{Metabolism}

> <pubchem_cids>
{155256}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -0.0012   -6.0029    0.0000 C   0  0
   -0.0035   -7.5029    0.0000 C   0  0
   -1.3038   -8.2509    0.0000 C   0  0
   -2.6016   -7.4988    0.0000 C   0  0
   -2.5992   -5.9988    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
    2.5981    1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  7  1  0
 12 13  2  0
 10 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
  6 20  1  0
  4 21  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15595

> <plate>
PLATE 004

> <well>
F11

> <supplier_cmpd_name>
Wogonin

> <ctcr_id>
11420

> <supplier_cmpd_id>
T2933

> <smiles>
COc1c(cc(c2c1oc(cc2=O)c1ccccc1)O)O

> <pd_targets>
{GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,PTGS2,CCNT1,CDK9,KDM1A,CCNA2,CDK2,NOS2,CCNH,CDK7,MNAT1}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Epigenetic regulator","Ligand-gated ion channel",Oxidoreductase,Kinase,Eraser,"GABA-A receptor","Protein Kinase","Lysine demethylase","CMGC protein kinase group","Lysine-specifi
c demethylase","CMGC protein kinase CDK family","CMGC protein kinase CDK9 subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase CDK7 subfamily"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","L-Arginine turnover",Cyclooxygenase,"1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families
","Nitric oxide synthases","Cyclin-dependent kinase (CDK) family","CDK1 subfamily"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Gene expression (Transcription)",Disease,"Metabolism of lipids","Intracellular signaling by second messengers","RNA Polymerase II Transcription","Infectious disease"
,"Biosynthesis of specialized proresolving mediators (SPMs)","PIP3 activates AKT signaling","Generic Transcription Pathway","Infection with Mycobacterium tuberculosis","Biosynthesis of DPA-derived SPM
s","PTEN Regulation","Transcriptional Regulation by TP53","Response of Mtb to phagocytosis","Biosynthesis of DPAn-3 SPMs","Regulation of PTEN gene transcription","Regulation of TP53 Activity","Suppres
sion of phagosomal maturation","Regulation of TP53 Expression and Degradation","Inhibition of nitric oxide production","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MFCD00017736,Wogonin,632-85-9,632859,"5,7-Dihydroxy-8-methoxyflavone","5,7Dihydroxy8methoxyflavone",Vogonin,"4H-1-Benzopyran-4-one, 5,7-dihydroxy-8-methoxy-2-phenyl-","4H1Benzopyran4one, 5,7dihydroxy
8methoxy2phenyl","Norwogonin 8-methyl ether","Norwogonin 8methyl ether",UNII-POK93PO28W,UNIIPOK93PO28W,"5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-4-one","5,7dihydroxy8methoxy2phenyl4Hchromen4one",5,
7-dihydroxy-8-meth,7dihydroxy8meth,T2933}

> <pdid>
PD011960

> <targets>
{CDK}

> <classes>
{"Cell Cycle/Checkpoint"}

> <pubchem_cids>
{5281703}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    6.4220    0.5904    0.0000 C   0  0
    5.8499   -0.7962    0.0000 O   0  0
    4.3623   -0.9951    0.0000 C   0  0
    3.4492    0.1949    0.0000 C   0  0
    1.9598    0.0000    0.0000 C   0  0
    1.3858    1.3858    0.0000 C   0  0
    0.0000    1.9598    0.0000 C   0  0
    0.0000    3.4598    0.0000 C   0  0
   -1.3858    1.3858    0.0000 C   0  0
   -2.4465    2.4465    0.0000 C   0  0
   -1.9598    0.0000    0.0000 C   0  0
   -1.3858   -1.3858    0.0000 C   0  0
   -2.5768   -2.3012    0.0000 C   0  0
   -2.3810   -3.7883    0.0000 C   0  0
   -3.3548   -4.9282    0.0000 O   0  0
   -2.5710   -6.2071    0.0000 C   0  0
   -1.1125   -5.8569    0.0000 O   0  0
   -0.9951   -4.3623    0.0000 C   0  0
    0.1949   -3.4492    0.0000 C   0  0
    1.3027   -4.4617    0.0000 O   0  0
    0.9809   -5.9268    0.0000 C   0  0
    0.0000   -1.9598    0.0000 C   0  0
    1.3858   -1.3858    0.0000 C   0  0
    2.3011   -2.5768    0.0000 C   0  0
    1.7307   -3.9650    0.0000 O   0  0
    2.6465   -5.1530    0.0000 C   0  0
    3.7883   -2.3810    0.0000 C   0  0
    4.7044   -3.5698    0.0000 O   0  0
    6.1913   -3.3719    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  2  0
 22 12  1  0
 22 23  1  0
 23  5  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  2  0
 27  3  1  0
 27 28  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15596

> <plate>
PLATE 004

> <well>
G2

> <supplier_cmpd_name>
Schizandrin B

> <ctcr_id>
3080

> <supplier_cmpd_id>
T2925

> <smiles>
COc1cc2CC(C)C(C)Cc3cc4OCOc4c(OC)c3c2c(OC)c1OC

> <pd_targets>
{ATR,KMT2A,MEN1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Kinase,Reader,"Protein Kinase",Bromodomain,"Atypical protein kinase group","Atypical protein kinase PIKK family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ATR subfamily"}

> <pathway_reactome>
{"DNA Repair","DNA Double-Strand Break Repair","Homology Directed Repair","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","HDR through Homologous Recombination (HRR)","Ho
mologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{ATR}

> <broad_moa>
{antioxidant}

> <synonyms>
{"Schisandrin B","Schizandrin B",61281-37-6,61281376,CHEMBL479488,69176-52-9,69176529,Schizandrin-B;Wuweizisu-B;gamma-Schisandrin,SchizandrinB;WuweizisuB;gammaSchisandrin,Schizandrin-B,SchizandrinB,"G
amma-Schisandrin ,(S)","GammaSchisandrin ,(S)",SCHEMBL3380716,DTXSID60976772,HMS3652I13,BCP30085,HY-N0089,HYN0089,BDBM50341711,AKOS01589,T2925,S3600,"Schisandrin B (Sch B)"}

> <pdid>
PD012303

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{108130}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 42 44  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0031    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8977   -3.7504    0.0000 C   0  0
   -5.1981   -3.0025    0.0000 C   0  0
   -5.2005   -1.5025    0.0000 C   0  0
   -6.4959   -3.7546    0.0000 C   0  0
   -6.4935   -5.2546    0.0000 C   0  0
   -7.7914   -6.0067    0.0000 C   0  0
   -9.0939   -5.2610    0.0000 C   0  0
  -10.3906   -6.0149    0.0000 C   0  0
   -9.0989   -3.7610    0.0000 C   0  0
   -7.7890   -7.5067    0.0000 C   0  0
   -9.0868   -8.2587    0.0000 O   0  0
   -6.4888   -8.2546    0.0000 C   0  0
   -6.4864   -9.7546    0.0000 O   0  0
   -5.1909   -7.5025    0.0000 C   0  0
   -3.8915   -8.2535    0.0000 C   0  0
   -3.8912   -9.7535    0.0000 O   0  0
   -5.1933   -6.0025    0.0000 C   0  0
   -3.8955   -5.2505    0.0000 C   0  0
   -2.5953   -5.9984    0.0000 O   0  0
    7.6990   -2.2511    0.0000 C   0  0
    7.6990   -3.7511    0.0000 C   0  0
    6.3997   -4.5007    0.0000 O   0  0
    8.9983   -4.5007    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19  4  1  0
 19 12  1  0
 15 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 25 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 33 34  1  0
 34 35  2  0
 33 36  1  0
 36 24  1  0
 36 37  2  0
 37 20  1  0
 37 38  1  0
 39 40  1  0
 40 41  1  0
 40 42  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15597

> <plate>
PLATE 004

> <well>
G3

> <supplier_cmpd_name>
Gossypol acetic acid

> <ctcr_id>
5765

> <supplier_cmpd_id>
T2730

> <smiles>
CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O.CC(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"OSSYPOLACETIC ACID COMPLE","Gossypol acetic acid","gossypol-Acetic acid","gossypolAcetic acid",12542-36-8,12542368,"Gossypol acetate","Acetate gossypol",866541-93-7,866541937,"Gossypol (acetic acid)
","(-)-Gossypol acetic acid","()Gossypol acetic acid","GOSSYPOL-ACETIC ACID COMPLEX","GOSSYPOLACETIC ACID COMPLEX",AT101,5453-04-3,5453043,"(S)-Gossypol (ace","(S)Gossypol (ace",T6396,T2730,1502099,"A
T101 acetate"}

> <pdid>

> <targets>
{}

> <classes>
{"male contraceptive"}

> <pubchem_cids>
{227456}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 35  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0  1  0  0  0
   -5.1953    1.5031    0.0000 O   0  0
   -5.1932    3.0039    0.0000 C   0  0
   -3.8929    3.7516    0.0000 O   0  0
   -6.4914    3.7570    0.0000 C   0  0
   -6.4915    5.2570    0.0000 C   0  0
   -7.7905    6.0070    0.0000 C   0  0
   -7.7905    7.5070    0.0000 O   0  0
   -9.0896    5.2570    0.0000 C   0  0
  -10.3886    6.0071    0.0000 O   0  0
   -9.0896    3.7570    0.0000 C   0  0
  -10.3886    3.0071    0.0000 O   0  0
   -7.7906    3.0070    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -5.1993   -3.0005    0.0000 C   0  0
   -6.4995   -3.7484    0.0000 C   0  0
   -7.7973   -2.9964    0.0000 C   0  0
   -9.0976   -3.7443    0.0000 O   0  0
   -7.7950   -1.4964    0.0000 C   0  0
   -9.0928   -0.7443    0.0000 O   0  0
   -6.4947   -0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  6
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 20 12  1  0
  8 21  1  0
 21 22  1  0
 22 23  1  0
 23  6  1  0
 23 24  2  0
 24  2  1  0
 21 25  1  6
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  2  0
 32 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15598

> <plate>
PLATE 004

> <well>
G4

> <supplier_cmpd_name>
(-)-Epicatechin gallate

> <ctcr_id>
6034

> <supplier_cmpd_id>
T2732

> <smiles>
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4ccc(O)c(O)c4

> <pd_targets>
{MET,ZWF1,PGD,FABZ,FABI,FABG,MAPK14,CNR2,FASN,CNR1,RAD52,BCL2,ELAVL3,PSMB5,POL,SLCO1B1,SLCO1B3,NS3,SYNJ2,BACE1,ACHE}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein","Ion channel","Unclassified protein",Transporter,Kinase,Oxidoreductase,"Family A G protein-coupled receptor",Transferase,"Other ion channel",Proteas
e,Hydrolase,"Electrochemical transporter","Protein Kinase","Small molecule receptor (family A GPCR)","Miscellaneous ion channel","Threonine protease","SLC superfamily of solute carriers","TK protein k
inase group","CMGC protein kinase group","Lipid-like ligand receptor (family A GPCR)","Bcl-2 family","Threonine protease PBT clan","SLC21/SLCO family of organic anion transporting polypeptides","Tyros
ine protein kinase Met family","CMGC protein kinase MAPK family","Cannabinoid receptor","Threonine protease T1A subfamily","CMGC protein kinase p38 subfamily","Aspartic protease","Aspartic protease AA
 clan","Aspartic protease A1A subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)","G protein-coupled receptors","2.3.1.-  Acyltransferases","B-cell lymphoma 2 (Bcl-2) protein family
","Peptidases and proteinases","SLC superfamily of solute carriers","Inositol phosphate turnover","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Cannabinoid receptors","PB: Threon
ine (T) Peptidases","SLCO family of organic anion transporting polypeptides","Inositol polyphosphate phosphatases","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","T1: Proteaso
me","Receptor tyrosine kinases (RTKs)","p38 subfamily","Type X RTKs: HGF (hepatocyte growth factor) receptor family","AA: Aspartic (A) Peptidases","A1: Pepsin","Acetylcholine turnover"}

> <pathway_reactome>
{"Developmental Biology",Metabolism,"Immune System","Signal Transduction","DNA Repair","Cell Cycle","Nervous system development","Metabolism of carbohydrates","Innate Immune System","Signaling by GPCR
","Metabolism of lipids","DNA Double-Strand Break Repair",Mitotic,"Axon guidance","Pentose phosphate pathway","Toll-like Receptor Cascades","GPCR downstream signalling","Metabolism of steroids","Homol
ogy Directed Repair","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling pathways","Regulation of mitotic cell cycle","Phospholipid metabolism","Semaphorin interaction
s","Toll Like Receptor 5 (TLR5) Cascade","G alpha (i) signalling events","Regulation of cholesterol biosynthesis by SREBP (SREBF)","HDR through Homologous Recombination (HRR) or Single Strand Annealin
g (SSA)",Inflammasomes,"APC/C-mediated degradation of cell cycle proteins","Bile acid and bile salt metabolism","PI Metabolism","Sema4D in semaphorin signaling","MyD88 cascade initiated on plasma memb
rane","Activation of gene expression by SREBF (SREBP)","HDR through Single Strand Annealing (SSA)","The NLRP1 inflammasome","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic protein
s","Recycling of bile acids and salts","Synthesis of PIPs at the plasma membrane","Sema4D mediated inhibition of cell attachment and migration","MAP kinase activation","APC/C:Cdc20 mediated degradatio
n of mitotic proteins","MAPK targets/ Nuclear events mediated by MAP kinases","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Activation of t
he AP-1 family of transcription factors","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Metabolism of proteins","Amyloid fiber formation","Glycerophospholipid biosynthesis","Synthesis of PC"}

> <broad_targets>
{BACE1,FASN}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{epicatechin-3-O-gallate,epicatechin3Ogallate,"(-)-Epicatechin gallate","()Epicatechin gallate","Epicatechin gallate",1257-08-5,1257085,(-)-Epicatechin-3-O-gallate,()Epicatechin3Ogallate,(-)-epicatech
ingallate,()epicatechingallate,(-)-Epicatechin-3-gallate,()Epicatechin3gallate,"L-Epicatechin gallate","LEpicatechin gallate","epicatechin monogallate",Teatannin,3-O-Galloy,3OGalloy,T2732,210238,"EPIC
ATECHIN MONOGALLATE"}

> <pdid>
PD002149

> <targets>
{Autophagy,COX,Virus Protease}

> <classes>
{Anti-infection,Autophagy,Immunology/Inflammation}

> <pubchem_cids>
{107905}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 48 52  0  0  0  0            999 V2000
    6.4870   -5.2597    0.0000 C   0  0
    6.4915   -3.7597    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0039    0.0000 C   0  0
    1.2934    3.7495    0.0000 O   0  0
    1.2883    5.2495    0.0000 C   0  0
   -0.0134    5.9950    0.0000 C   0  0
    2.5847    6.0040    0.0000 C   0  0
    2.5795    7.5040    0.0000 O   0  0
    3.8863    5.2585    0.0000 C   0  0
    5.1828    6.0130    0.0000 O   0  0
    3.8915    3.7585    0.0000 C   0  0
    5.1932    3.0131    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1984   -1.4978    0.0000 O   0  0
   -6.4971   -0.7455    0.0000 C   0  0
   -6.4920    0.7545    0.0000 O   0  0
   -7.7884    1.5090    0.0000 C   0  0
   -7.7802    3.0098    0.0000 C   0  0
   -6.4775    3.7535    0.0000 O   0  0
   -9.0901    0.7635    0.0000 C   0  0
  -10.3865    1.5180    0.0000 O   0  0
   -9.0952   -0.7365    0.0000 C   0  0
  -10.3968   -1.4820    0.0000 O   0  0
   -7.7988   -1.4910    0.0000 C   0  0
   -7.8040   -2.9910    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.6011   -3.0008    0.0000 C   0  0
   -3.9020   -3.7494    0.0000 C   0  0
   -3.9050   -5.2502    0.0000 C   0  0
   -5.2051   -5.9984    0.0000 C   0  0
   -2.6073   -6.0025    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 20 12  1  0
 20 21  1  0
 10 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 32 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
 39 30  1  0
 39 40  1  0
 28 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  2  3
 44 45  1  0
 44 46  1  0
 41 47  2  0
 47 24  1  0
 47 48  1  0
 48  9  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15599

> <plate>
PLATE 004

> <well>
G5

> <supplier_cmpd_name>
Icariin

> <ctcr_id>
2172

> <supplier_cmpd_id>
T2855

> <smiles>
COc1ccc(cc1)C2=C(OC3OC(C)C(O)C(O)C3O)C(=O)c4c(O)cc(OC5OC(CO)C(O)C(O)C5O)c(CC=C(C)C)c4O2

> <pd_targets>
{KDM1A,POLB,PDE5A}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Phosphodiesterase,"Lysine demethylase","Phosphodiesterase 5","Lysine-specific demethylase","Phosphodiesterase 5A"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cyclic nucleotide turnover/signalling","1.14.11.- Histone demethylases",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)"}

> <pathway_reactome>
{"Signal Transduction","DNA Repair",Hemostasis,"Intracellular signaling by second messengers","Base Excision Repair","Platelet homeostasis","PIP3 activates AKT signaling","Resolution of Abasic Sites (
AP sites)","Nitric oxide stimulates guanylate cyclase","PTEN Regulation","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","cGMP effects","Regulation of PTEN gene transcri
ption","PCNA-Dependent Long Patch Base Excision Repair"}

> <broad_targets>
{PDE5A}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{Icariine,Icarrin,C33H40O15,SCHEMBL7738609,HMS3369E05,HMS3393J13,HMS3656K03,NSC708926,MCULE-8193022631,MCULE8193022631,NSC-708926,AK168109,FT-0603423,FT0603423,FT-0631425,FT0631425,I0862,W-2734,W2734,
S2312,Icariin}

> <pdid>
PD000540

> <targets>
{PDE,Autophagy,Phosphodiesterase (PDE),PPAR}

> <classes>
{Metabolism,Autophagy,Cell Cycle/DNA Damage,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5471129}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 29  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0  2  0  0  0
   -1.4470    5.2297    0.0000 C   0  0  2  0  0  0
   -2.9153    5.5365    0.0000 C   0  0
   -3.6607    4.2349    0.0000 O   0  0
   -2.6532    3.1236    0.0000 C   0  0
   -2.9512    1.6535    0.0000 O   0  0
   -0.3273    6.2252    0.0000 C   0  0
    1.0974    5.7534    0.0000 C   0  0
    2.2199    6.7484    0.0000 C   0  0
    3.6428    6.2739    0.0000 C   0  0
    3.9434    4.8044    0.0000 C   0  0
    5.3682    4.3326    0.0000 O   0  0
    6.4892    5.3293    0.0000 C   0  0
    2.8210    3.8093    0.0000 C   0  0
    3.1188    2.3383    0.0000 O   0  0
    1.9950    1.3448    0.0000 C   0  0
    1.3981    4.2837    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  7  6  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  7  1  0
 11 12  2  0
  8 13  1  6
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23 14  1  0
  5 24  2  0
 24 25  1  0
 25 26  2  0
 26  3  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15600

> <plate>
PLATE 004

> <well>
G6

> <supplier_cmpd_name>
Arctigenin

> <ctcr_id>
7685

> <supplier_cmpd_id>
T2957

> <smiles>
COc1cc(C[C@@H]2[C@H](COC2=O)Cc3ccc(OC)c(OC)c3)ccc1O

> <pd_targets>
{CYP2C9,MAP2K1,CYP2C19,RORC,CYP3A4,MAPK1,CYP1A2}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Cytochrome P450",Kinase,"Nuclear receptor","Cytochrome P450 family 2","Protein Kinase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Cytochrome P45
0 family 1","Cytochrome P450 family 2C","STE protein kinase group","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","CMGC protein kinase group","Cytochrome P450 family 1A","C
ytochrome P450 2C9","STE protein kinase STE7 family","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","CMGC protein kinase MAPK family","Cytochrome 
P450 1A1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","CYP2 family: drug metabolising subset","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","1F
. Retinoic acid-related orphans","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP1 family","STE7 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Gene expression (Transcription)","Immune System","Biological oxidations","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Metabolism of li
pids","Innate Immune System","Phase I - Functionalization of compounds","Signaling by NTRKs","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Rece
ptor Cascades","Cytochrome P450 - arranged by substrate type","Signaling by NTRK1 (TRKA)","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade"
,Xenobiotics,"Signalling to ERKs","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","CYP2E1 reactions","Prolonged ERK activat
ion events","Biosynthesis of maresin-like SPMs","MAP kinase activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Frs2-mediated activation","MAPK targets/ Nuclear events medi
ated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CHUK,MAP2K1}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{Arctigenin,(-)-Arctigenin,()Arctigenin,7770-78-7,7770787,UNII-U76MR9VS6M,UNIIU76MR9VS6M,C21H24O6,CHEBI:79,U76MR9VS6M,(+/-)-Arctigenin,(+/)Arctigenin,"Arctigenin, (+/-)-","Arctigenin, (+/)",Arctigenen
,"Arctigenin, trans-((+/-)-","Arctigenin, trans((+/)",Tocris-1777,Tocris1777,SCHEMBL381820,CHEMBL435734,MEGxp0_001799,MEGxp0001799,MEGxp0-001799,"MEGxp0 001799",ACon1_000416,ACon1000416,ACon1-000416,"
ACon1 000416",DTXSID60998919,HMS32,1777}

> <pdid>
PD012062

> <targets>
{MEK}

> <classes>
{}

> <pubchem_cids>
{64981}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 34  0  0  1  0            999 V2000
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -5.1984    1.4977    0.0000 O   0  0
   -6.4971    0.7454    0.0000 C   0  0  1  0  0  0
   -7.7988    1.4909    0.0000 C   0  0  1  0  0  0
   -9.0952    0.7364    0.0000 C   0  0  2  0  0  0
   -9.0900   -0.7636    0.0000 C   0  0  1  0  0  0
   -7.7884   -1.5091    0.0000 C   0  0  2  0  0  0
   -6.4920   -0.7546    0.0000 O   0  0
   -7.7863   -3.0099    0.0000 C   0  0
   -9.0838   -3.7626    0.0000 O   0  0
  -10.3865   -1.5181    0.0000 O   0  0
  -10.3969    1.4819    0.0000 O   0  0
   -7.8041    2.9909    0.0000 O   0  0
    6.4924   -3.7566    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16  7  1  0
 16 17  2  0
 14 18  1  0
 12 19  1  0
 20 19  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 24 26  1  6
 26 27  1  0
 23 28  1  1
 22 29  1  6
 21 30  1  1
  3 31  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15601

> <plate>
PLATE 004

> <well>
G7

> <supplier_cmpd_name>
Genistin

> <ctcr_id>
11421

> <supplier_cmpd_id>
T2882

> <smiles>
c1cc(ccc1c1coc2cc(cc(c2c1=O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

> <pd_targets>
{AMPC,HPGD,LMNA,SMN1,NPC1,RAB9A}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Epigenetic regulator",Transporter,Hydrolase,Reader,"Methyl-lysine/arginine binding protein","Tudor domain"}

> <pathway_chembl>
{Enzymes,Transporters,"Eicosanoid turnover","SLC superfamily of solute carriers","Prostaglandin synthases","SLC65 NPC-type cholesterol transporters"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Metabolism of RNA","Transport of small molecules","Signal Transduction","Metabolism of lipids",Mitotic,"Metabolism of non-coding RNA","Plasma lipoprotein assembly",remodeling
,"and clearance","Signaling by Rho GTPases","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","snRNP Assembly","Plasma lipoprotein clearance","Rho GTPase cycle","Biosynthesis of DH
A-derived SPMs","Mitotic Metaphase and Anaphase","LDL clearance","RHOBTB GTPase Cycle","Biosynthesis of D-series resolvins","Mitotic Anaphase","RHOBTB3 ATPase cycle","Nuclear Envelope (NE) Reassembly"
,"Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Genistin,529-59-9,529599,Genistine,"Genistein 7-glucoside","Genistein 7glucoside",Genistoside,"Genisteol 7-monoglucoside","Genisteol 7monoglucoside","Genistein 7-O-beta-D-glucoside","Genistein 7Obeta
Dglucoside",UNII-1POG3SCN5T,UNII1POG3SCN5T,"NSC 5112",Glucosyl-7-genistein,Glucosyl7genistein,CHEBI:27514,1POG3SCN5T,MFCD00016883,"Genistein, 7-O-beta-D-glucoside","Genistein, 7ObetaDglucoside",4',T28
82}

> <pdid>
PD019230

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{5281377}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 33  0  0  1  0            999 V2000
    1.9598    0.0000    0.0000 C   0  0
    1.3858    1.3858    0.0000 C   0  0
    0.0000    1.9598    0.0000 C   0  0
   -1.3858    1.3858    0.0000 C   0  0
   -1.9598    0.0000    0.0000 C   0  0
   -1.3858   -1.3858    0.0000 C   0  0  1  0  0  0
    0.0000   -1.9598    0.0000 C   0  0  2  0  0  0
    1.3858   -1.3858    0.0000 C   0  0
    1.3247   -2.6636    0.0000 O   0  0
   -1.3246   -2.6637    0.0000 C   0  0
   -2.4465   -2.4465    0.0000 C   0  0
   -2.5768    2.3011    0.0000 C   0  0
   -2.3810    3.7883    0.0000 C   0  0
   -0.9952    4.3623    0.0000 C   0  0
    0.1949    3.4492    0.0000 C   0  0
    1.2985    4.4663    0.0000 O   0  0
    0.9707    5.9300    0.0000 C   0  0
   -0.7962    5.8499    0.0000 O   0  0
    0.5904    6.4220    0.0000 C   0  0
   -3.5736    4.6995    0.0000 O   0  0
   -4.9586    4.1235    0.0000 C   0  0
    2.3011    2.5768    0.0000 C   0  0
    3.7883    2.3810    0.0000 C   0  0
    4.3623    0.9952    0.0000 C   0  0
    3.4492   -0.1949    0.0000 C   0  0
    5.8499    0.7962    0.0000 O   0  0
    6.4220   -0.5904    0.0000 C   0  0
    4.7044    3.5698    0.0000 O   0  0
    6.1913    3.3719    0.0000 C   0  0
    1.7307    3.9650    0.0000 O   0  0
    2.6464    5.1530    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  1  1  0
  7  9  1  6
  7 10  1  0
  6 11  1  1
  4 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  3  1  0
 15 16  1  0
 16 17  1  0
 14 18  1  0
 18 19  1  0
 13 20  1  0
 20 21  1  0
  2 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25  1  1  0
 24 26  1  0
 26 27  1  0
 23 28  1  0
 28 29  1  0
 22 30  1  0
 30 31  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15602

> <plate>
PLATE 004

> <well>
G8

> <supplier_cmpd_name>
Schisandrin

> <ctcr_id>
11422

> <supplier_cmpd_id>
T2950

> <smiles>
c12c(c3c(C[C@@H]([C@](C1)(O)C)C)cc(c(c3OC)OC)OC)c(c(c(c2)OC)OC)OC

> <pd_targets>
{ABCC1}

> <pathway_gtopdb>
{Transporter,"Primary active transporter","ATP-binding cassette","ABCC subfamily"}

> <pathway_chembl>
{Transporters,"ATP-binding cassette transporter family","ABCC subfamily"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Fatty acid metabolism","Arachidonic acid metabolism","Synthesis of Leukotrienes (LT) and Eoxins (EX)"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Schisandrin,Schizandrin,7432-28-2,7432282,"Schisandrol A","(9S,10S)-Schizandrin","(9S,10S)Schizandrin",UNII-G01BQC0879,UNIIG01BQC0879,G01BQC0879,hexamethoxy(dimethyl)(?)ol,Gomisins,Wuweizins,Omija,"M
agnolia Vine",MFCD00905761,Wu-wei-zi,Wuweizi,"Gomisins (Japanese)","Wuweizins (Chinese)",Schisan,T2950}

> <pdid>
PD011946

> <targets>
{Autophagy}

> <classes>
{Autophagy}

> <pubchem_cids>
{3001664}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 24  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0008    0.0000 C   0  0
    1.2979   -3.7529    0.0000 C   0  0
    1.2955   -5.2529    0.0000 C   0  0
    2.5933   -6.0050    0.0000 O   0  0
   -0.0047   -6.0009    0.0000 C   0  0
   -0.0071   -7.5009    0.0000 O   0  0
   -1.3026   -5.2488    0.0000 C   0  0
   -2.6028   -5.9967    0.0000 O   0  0
   -1.3002   -3.7488    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  4  1  0
 11 12  1  0
 12 13  1  0
 13  2  1  0
 13 14  1  1
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 22 14  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15603

> <plate>
PLATE 004

> <well>
G9

> <supplier_cmpd_name>
Epigallocatechin

> <ctcr_id>
16125

> <supplier_cmpd_id>
T2987

> <smiles>
O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3cc(O)c(O)c(O)c3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Epigallocatechin,L-Epigallocatechin,HY-N0225,(-)-Epigallocatechin,(-)-Epigallocatechin}

> <pdid>
PD002159

> <targets>
{Autophagy,MMP}

> <classes>
{Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
.

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    7.7938   -3.0046    0.0000 C   0  0
    6.4946   -3.7543    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8888   -5.2533    0.0000 O   0  0
    2.5875   -5.9994    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.6012    3.0008    0.0000 O   0  0
   -3.9013    3.7490    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1984    1.4977    0.0000 O   0  0
   -6.4964    0.7459    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1953   -1.5031    0.0000 O   0  0
   -5.1932   -3.0031    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.6011   -3.0008    0.0000 O   0  0
   -3.9013   -3.7490    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  2  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  2  0
 28 15  1  0
 28 29  1  0
 29 11  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15604

> <plate>
PLATE 004

> <well>
G10

> <supplier_cmpd_name>
Nobiletin

> <ctcr_id>
4520

> <supplier_cmpd_id>
T2834

> <smiles>
COc1ccc(cc1OC)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2

> <pd_targets>
{MAPK1,RORC,AMPC,KDM4E,ALDH1A1,KMT2A,MEN1,MAPT,HPGD,CYP3A4,HSD17B10,FFP,ABCG2,ABCB1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Other cytosolic protein",Transporter,Kinase,"Nuclear receptor",Hydrolase,Eraser,Oxidoreductase,Reader,Protease,"Cytochrome P450",Transferase,"Pri
mary active transporter","Protein Kinase","Nuclear hormone receptor subfamily 1","Lysine demethylase",Bromodomain,"Cysteine protease","Cytochrome P450 family 3","ATP-binding cassette","CMGC protein ki
nase group","Nuclear hormone receptor subfamily 1 group F","Jumonji domain-containing","Cysteine protease CA clan","Cytochrome P450 family 3A","ABCG subfamily","ABCB subfamily","CMGC protein kinase MA
PK family","Nuclear hormone receptor subfamily 1 group F member 3","Cysteine protease C1A family","Cytochrome P450 3A4","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Chromatin modifying enzymes","Eicosanoid turnover","Cytochrome P450","ATP-binding cassette transporter family","CMGC
: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphans","1.14.11.- Histone demethylases","Prostaglandin synthases","CYP3 family","ABCG subfamily","ABCB subfamily","Mitogen-activ
ated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)",Metabolism,"Neuronal System","Innate Immune System","RNA Polymerase II Transcription","Biological oxidations","Transmission across Chemical Synapses"
,"Metabolism of lipids","Metabolism of amino acids and derivatives","Abacavir transport and metabolism","Toll-like Receptor Cascades","Generic Transcription Pathway","Phase I - Functionalization of co
mpounds","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Abacavir transmembrane tr
ansport","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX3","Ethanol oxidation","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","MyD8
8 cascade initiated on plasma membrane","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA receptor activation events","Biosynthesis of D-series resolvins","Biosynthesis of maresins","MAP
 kinase activation","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{MAP2K1}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{HMS3373C14,Nobiletin,478-01-3,478013,Hexamethoxyflavone,"3',4',5,6,7,8-Hexamethoxyflavone","3',4',5,6,7,8Hexamethoxyflavone","5,6,7,8,3',4'-Hexamethoxyflavone","5,6,7,8,3',4'Hexamethoxyflavone",UNII-
D65ILJ7WLY,UNIID65ILJ7WLY,"2-(3,4-Dimethoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-one","2(3,4Dimethoxyphenyl)5,6,7,8tetramethoxy4H1benzopyran4one",2-(3,2(3,4-dimethoxyphenyl)-5,4dimethoxypheny
l)5,6,7,T2834,SAM001246662,1505268,CPD000156231,NOBILETIN}

> <pdid>
PD000532

> <targets>
{Apoptosis,Autophagy,Reactive Oxygen Species,ROR}

> <classes>
{matrix metaloproteinase inhibitor,antineoplastic,Apoptosis,Autophagy,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{72344}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 36  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -5.2500    0.0000 C   0  0  2  0  0  0
   -2.4266   -6.2302    0.0000 C   0  0
   -1.8253   -7.6044    0.0000 C   0  0
   -0.3325   -7.4571    0.0000 C   0  0  1  0  0  0
    0.0000   -6.0000    0.0000 C   0  0  1  0  0  0
    1.2991   -5.2500    0.0000 C   0  0  1  0  0  0
    1.2991   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    1.2990   -2.2500    0.0000 C   0  0
    2.5981   -6.0000    0.0000 O   0  0
    0.6590   -8.5805    0.0000 C   0  0  2  0  0  0
    2.1292   -8.2827    0.0000 C   0  0
    0.1821  -10.0035    0.0000 C   0  0
    1.1752  -11.1287    0.0000 C   0  0
    0.6983  -12.5518    0.0000 C   0  0
    1.6915  -13.6770    0.0000 C   0  0
    1.2148  -15.0992    0.0000 C   0  0
    3.1616  -13.3791    0.0000 C   0  0
    1.6522   -9.7046    0.0000 O   0  0
   -2.2090   -4.8353    0.0000 C   0  0
   -2.1650   -4.2500    0.0000 C   0  0
   -2.5800   -0.0305    0.0000 C   0  0
   -1.2638    2.2496    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 12 11  1  1
 13 12  1  6
 13  9  1  0
 13 14  1  0
 14 15  1  0
 16 15  1  1
 16  8  1  0
 16 17  1  0
 17  1  1  0
 17  5  1  0
 17 18  1  1
 14 19  1  1
 12 20  1  0
 20 21  1  6
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  3
 25 26  1  0
 25 27  1  0
 20 28  1  0
  9 29  1  6
  8 30  1  1
  4 31  1  0
  4 32  1  0
  3 33  1  1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15605

> <plate>
PLATE 004

> <well>
G11

> <supplier_cmpd_name>
(20S)-Protopanaxadiol

> <ctcr_id>
11423

> <supplier_cmpd_id>
T2799

> <smiles>
C1C[C@@H](C([C@@H]2CC[C@]3([C@@]4(CC[C@@H]([C@H]4[C@@H](C[C@@H]3[C@@]12C)O)[C@](C)(CCC=C(C)C)O)C)C)(C)C)O

> <pd_targets>
{PTPN1,SOAT1}

> <pathway_gtopdb>
{Enzyme,Phosphatase,Transferase,"Protein Phosphatase","Tyrosine protein phosphatase"}

> <pathway_chembl>
{Enzymes,Phosphatases,"Protein tyrosine phosphatases non-receptor type (PTPN)"}

> <pathway_reactome>
{"Gene expression (Transcription)","Transport of small molecules","RNA Polymerase II Transcription","Plasma lipoprotein assembly",remodeling,"and clearance","Generic Transcription Pathway","Plasma lip
oprotein clearance","Transcriptional Regulation by MECP2","LDL clearance","MECP2 regulates neuronal receptors and channels"}

> <broad_targets>
{PARP1}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{20S)PROTOPANAXADIO,(20S)-Protopanaxadiol,(20S)Protopanaxadiol,20-Epiprotopanaxadiol,20Epiprotopanaxadiol,30636-90-9,30636909,20(S)-protopanaxadiol,20(S)protopanaxadiol,Protopanaxadiol,20(S)-APPD,20(S
)APPD,UNII-MR8AEF5T1N,UNIIMR8AEF5T1N,MR8AEF5T1N,CHEMBL375563,CHEBI:75950,"dammar-24-ene-3beta,12beta,20-triol","dammar24ene3beta,12beta,20triol",(20S)-Protopanaxdiol,(20S)Protopanaxdiol,Dammar-24-ene-
3,Dammar24ene3,1,T2799,T3S1513,(20R)-Protopanaxdiol}

> <pdid>
PD011940

> <targets>
{Apoptosis inducer,Apoptosis,P-glycoprotein,Reactive Oxygen Species}

> <classes>
{Apoptosis,Immunology/Inflammation,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{11213350}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 31  0  0  1  0            999 V2000
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.1996   -1.4928    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2810    2.2196    0.0000 C   0  0
   -0.0353    4.4996    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -3.8971    0.7500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    0.0000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -2.2500    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0  1  0  0  0
    0.0180   -4.4679    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    1.2990   -2.2500    0.0000 C   0  0
   -2.5990   -4.4584    0.0000 C   0  0
   -3.8983   -3.7090    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  1  6
  9 10  1  0
  9 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  1
 14 16  1  0
 16  8  1  0
 16 17  1  6
 16 18  1  0
 18 19  1  1
 18 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  6
 23 25  1  0
 25 26  1  0
 26  5  1  0
 26 18  1  0
 26 27  1  6
 23 28  1  0
 28 29  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15606

> <plate>
PLATE 004

> <well>
H2

> <supplier_cmpd_name>
Forskolin

> <ctcr_id>
7204

> <supplier_cmpd_id>
T2939

> <smiles>
CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]3(O)C(=O)C[C@@](C)(O[C@]13C)C=C

> <pd_targets>
{NR1I2,ADCY1,SCN1A,SCN2A,SCN3A,SLC2A1,KMT2A,NR0B1,ABCB1,RXFP1,CFTR,PMP22,BLM,GMNN,MAPK1,NPSR1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Ion channel",Transporter,"Epigenetic regulator","Membrane receptor","Nuclear receptor","Voltage-gated ion channel","Electrochemical transporter",Reader,"Primary active 
transporter","Family A G protein-coupled receptor","Other ion channel","Nuclear hormone receptor subfamily 1","Voltage-gated sodium channel","SLC superfamily of solute carriers",Bromodomain,"Nuclear h
ormone receptor subfamily 0","ATP-binding cassette","Peptide receptor (family A GPCR)","Chloride channel","Nuclear hormone receptor subfamily 1 group I","SLC02 family of hexose and sugar alcohol trans
porters","Nuclear hormone receptor subfamily 0 group B","ABCB subfamily","Relaxin-like peptide receptor (family A GPCR)","Cystic fibrosis transmembrane conductance regulator","Nuclear hormone receptor
 subfamily 1 group I member 2","Nuclear hormone receptor subfamily 0 group B member 1","Relaxin receptor","Unclassified protein",Kinase,"Protein Kinase","CMGC protein kinase group","Short peptide rece
ptor (family A GPCR)","CMGC protein kinase MAPK family","Neuropeptide receptor","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Ion channels","Nuclear hormone receptors","Cyclic nucleotide turnover/signalling","SLC superfamily of solute carriers","Chromatin modifying enzymes","ATP-binding casse
tte transporter family","G protein-coupled receptors","Other ion channels","1I. Vitamin D receptor-like receptors","Adenylyl cyclases (ACs)","SLC2 family of hexose and sugar alcohol transporters","2.1
.1.43 Histone methyltransferases (HMTs)","0B. DAX-like receptors","ABCB subfamily","Relaxin family peptide receptors","Chloride channels","Class I transporters",CFTR,"Kinases (EC 2.7.x.x)","CMGC: Cont
aining CDK",MAPK,GSK3,"CLK families","Neuropeptide S receptor","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Metabolism of proteins","Neuronal System",Disease,"Gene expression (Transcription)",Metabolism,Autophagy,"Post-translational protein modification","Transmission across Chemical Synapses","Disorders 
of transmembrane transporters","RNA Polymerase II Transcription","Abacavir transport and metabolism","Infectious disease",Macroautophagy,SUMOylation,"Neurotransmitter receptors and postsynaptic signal
 transmission","SLC transporter disorders","Generic Transcription Pathway","Abacavir transmembrane transport","Leishmania infection","Selective autophagy","SUMO E3 ligases SUMOylate target proteins","
GABA receptor activation","Defective SLC2A1 causes GLUT1 deficiency syndrome 1 (GLUT1DS1)","Transcriptional regulation by RUNX1","Nuclear Receptor transcription pathway","Leishmania parasite growth an
d survival",Aggrephagy,"SUMOylation of intracellular receptors","GABA B receptor activation","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Anti-inflammatory 
response favouring Leishmania parasite infection","Activation of GABAB receptors","ADORA2B mediated anti-inflammatory cytokines production","Adenylate cyclase inhibitory pathway","Developmental Biolog
y","DNA Repair","Cell Cycle","Immune System","Nervous system development","DNA Double-Strand Break Repair",Mitotic,"Innate Immune System","EGR2 and SOX10-mediated initiation of Schwann cell myelinatio
n","Homology Directed Repair","Mitotic G1 phase and G1/S transition","Toll-like Receptor Cascades","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","G1/S Transition","Toll
 Like Receptor 5 (TLR5) Cascade","HDR through Homologous Recombination (HRR)","Activation of the pre-replicative complex","MyD88 cascade initiated on plasma membrane","Homologous DNA Pairing and Stran
d Exchange","MAP kinase activation","Presynaptic phase of homologous DNA pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ADCY2,ADCY5,GNAS}

> <broad_moa>
{"adenylyl cyclase activator"}

> <synonyms>
{forskolin,Colforsin,66575-29-9,66575299,Coleonol,colforsina,colforsine,colforsinum,Boforsin,Coleonolk,UNII-1F7A44V6OU,UNII1F7A44V6OU,"HL 362","7beta-Acetoxy-8,13-epoxy-1alpha,6beta,9alpha-trihydroxyl
abd-14-en-11-one","7betaAcetoxy8,13epoxy1alpha,6beta,9alphatrihydroxylabd14en11one","L 75 1362B",C22H34O7,66428-89-5,66428895,CHEMBL52606,1F7A44V6,T2939,S2449,Forskolin}

> <pdid>
PD000867

> <targets>
{cAMP}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{47936}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 29  0  0  1  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0  2  0  0  0
   -1.2935    3.7495    0.0000 O   0  0
   -1.2883    5.2495    0.0000 C   0  0  2  0  0  0
    0.0156    5.9928    0.0000 C   0  0
    1.3109    5.2364    0.0000 O   0  0
   -2.5848    6.0040    0.0000 C   0  0  1  0  0  0
   -2.5796    7.5040    0.0000 O   0  0
   -3.8864    5.2585    0.0000 C   0  0  2  0  0  0
   -5.1828    6.0129    0.0000 O   0  0
   -3.8915    3.7585    0.0000 C   0  0  1  0  0  0
   -5.1932    3.0130    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.4133   -1.7530    0.0000 C   0  0  1  0  0  0
   -3.8805   -1.4410    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0  1  0  0  0
   -2.5532   -4.4223    0.0000 O   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  1  6
 10  9  1  1
 10 11  1  0
 11 12  1  0
 12 13  1  1
 13 14  1  0
 12 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  1  1
 17 19  1  0
 19 10  1  0
 19 20  1  6
 21  8  1  1
 21 22  1  0
 22 23  1  6
 22 24  1  0
 24 25  1  6
 24 26  1  0
 27 26  1  1
 27  5  1  0
 27 21  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15607

> <plate>
PLATE 004

> <well>
H3

> <supplier_cmpd_name>
Loganin

> <ctcr_id>
194

> <supplier_cmpd_id>
T2759

> <smiles>
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]3[C@@H](C)[C@@H](O)C[C@H]13

> <pd_targets>
{STAT3}

> <pathway_gtopdb>
{"Transcription factor"}

> <pathway_chembl>
{"Other protein targets","Transcription factors","STAT transcription factors"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by FGFR in disease","Signaling by FGFR1 in disease","FGFR1 mutant receptor activation","Signaling
 by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Loganin,18524-94-2,18524942,Loganoside,UNII-H7WJ16Q93C,UNIIH7WJ16Q93C,CHEBI:15771,C17H26O10,H7WJ16Q93C,7-Hydroxy-6-desoxyverbenalin,7Hydroxy6desoxyverbenalin,Meliatin,"EINECS 242-398-0","EINECS 24239
80",Spectrum_001503,Spectrum001503,Spectrum-001503,"Spectrum 001503",SpecPlus_000563,SpecPlus000563,SpecPlus-000563,"SpecPlus 000563",Spectrum2_001637,Spectrum2001637,Spectrum2-001637,"Spectrum2 00163
7",Spectrum3_001875,Spectrum3001875,Spectrum3-001875,"Spectrum3 001875",Spectrum4_001914,Spectrum4001914,Spectrum4-001914,"Spectrum4 001914",Spectrum5_000628,Spectrum5000628,Spectrum5-000628,"Spectrum
5 000628",a,T2759,1504066,LOGANIN}

> <pdid>
PD011955

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{87691}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 78 85  0  0  1  0            999 V2000
   20.2593    0.9188    0.0000 Na  0  3
   13.8889   -2.5461    0.0000 C   0  0
   12.5932   -3.3018    0.0000 C   0  0
   12.6003   -4.8018    0.0000 O   0  0
   11.2904   -2.5567    0.0000 O   0  0
   11.2833   -1.0559    0.0000 C   0  0
   12.5790   -0.3002    0.0000 C   0  0
    9.9805   -0.3108    0.0000 C   0  0
    8.6848   -1.0665    0.0000 C   0  0
    9.9734    1.1900    0.0000 C   0  0
   11.2692    1.9457    0.0000 O   0  0
    8.6706    1.9351    0.0000 O   0  0
    8.6636    3.4359    0.0000 C   0  0
    7.3600    4.1800    0.0000 C   0  0  1  0  0  0
    8.5200    4.9500    0.0000 C   0  0  1  0  0  0
    9.4012    4.4773    0.0000 O   0  0
    8.5200    6.5000    0.0000 C   0  0  1  0  0  0
    5.7200    3.5100    0.0000 O   0  0
    7.3600    2.5200    0.0000 C   0  0  2  0  0  0
    6.1500    1.7500    0.0000 C   0  0
    4.9700    2.5200    0.0000 C   0  0  2  0  0  0
    4.9681    1.5200    0.0000 C   0  0
    4.9700    4.1800    0.0000 C   0  0
    3.7800    4.9500    0.0000 C   0  0
    2.5900    4.1800    0.0000 C   0  0
    2.5900    2.5200    0.0000 C   0  0  1  0  0  0
    3.7800    1.7500    0.0000 C   0  0  2  0  0  0
    3.7546    2.7497    0.0000 C   0  0
    3.7800    0.2000    0.0000 C   0  0
    2.5900   -0.5500    0.0000 C   0  0
    1.3900    0.2000    0.0000 C   0  0  2  0  0  0
    1.3900    1.7500    0.0000 C   0  0  1  0  0  0
    1.3929    3.2500    0.0000 C   0  0
    0.2000    2.5200    0.0000 C   0  0
   -0.9800    1.7500    0.0000 C   0  0
   -0.9800    0.2000    0.0000 C   0  0  2  0  0  0
   -2.2759   -0.5585    0.0000 O   0  0
   -3.5810    0.1826    0.0000 C   0  0  2  0  0  0
   -3.5882    1.6826    0.0000 O   0  0
   -4.8907    2.4265    0.0000 C   0  0  2  0  0  0
   -4.8947    3.9273    0.0000 C   0  0
   -5.7622    4.4247    0.0000 O   0  5
   -3.5982    4.6816    0.0000 O   0  0
   -6.1862    1.6704    0.0000 C   0  0  1  0  0  0
   -7.4880    2.4173    0.0000 O   0  0
   -8.7862    1.6643    0.0000 C   0  0  1  0  0  0
   -8.7802    0.1642    0.0000 O   0  0
  -10.0761   -0.5911    0.0000 C   0  0  2  0  0  0
  -10.0670   -2.0919    0.0000 C   0  0
  -11.3609   -2.8506    0.0000 O   0  0
  -11.3782    0.1536    0.0000 C   0  0  1  0  0  0
  -12.6742   -0.6016    0.0000 O   0  0
  -11.3843    1.6536    0.0000 C   0  0  2  0  0  0
  -12.6864    2.3984    0.0000 O   0  0
  -10.0883    2.4089    0.0000 C   0  0  1  0  0  0
  -10.0945    3.9089    0.0000 O   0  0
   -6.1791    0.1704    0.0000 C   0  0  2  0  0  0
   -7.4746   -0.5857    0.0000 O   0  0
   -4.8766   -0.5735    0.0000 C   0  0  1  0  0  0
   -4.8726   -2.0743    0.0000 O   0  0
   -6.1699   -2.8290    0.0000 C   0  0  2  0  0  0
   -7.4700   -2.0806    0.0000 O   0  0
   -8.7681   -2.8322    0.0000 C   0  0
   -8.7662   -4.3322    0.0000 C   0  0  1  0  0  0
  -10.0643   -5.0838    0.0000 O   0  0
   -7.4662   -5.0806    0.0000 C   0  0  2  0  0  0
   -7.4644   -6.5806    0.0000 O   0  0
   -6.1681   -4.3290    0.0000 C   0  0  1  0  0  0
   -4.8682   -5.0774    0.0000 O   0  0
    0.2000   -0.5500    0.0000 C   0  0  1  0  0  0
    1.5132   -1.2750    0.0000 C   0  0
   -1.1013   -1.2617    0.0000 C   0  0
   -1.1460   -2.2607    0.0000 O   0  0
    6.1500    4.9500    0.0000 C   0  0  2  0  0  0
    6.1500    6.5000    0.0000 C   0  0
    7.3600    7.3700    0.0000 C   0  0  2  0  0  0
    8.6771    8.0878    0.0000 C   0  0
    6.0577    8.1143    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 14 13  1  1
 14 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  1  6
 19 18  1  6
 19 14  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  6
 21 23  1  0
 23 24  2  3
 24 25  1  0
 26 25  1  1
 26 27  1  0
 27 21  1  0
 27 28  1  1
 27 29  1  0
 29 30  1  0
 31 30  1  1
 31 32  1  0
 32 26  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  1
 38 37  1  1
 38 39  1  0
 39 40  1  0
 40 41  1  1
 41 42  1  0
 41 43  2  0
 40 44  1  0
 44 45  1  6
 46 45  1  1
 46 47  1  0
 47 48  1  0
 48 49  1  6
 49 50  1  0
 48 51  1  0
 51 52  1  1
 51 53  1  0
 53 54  1  6
 53 55  1  0
 55 46  1  0
 55 56  1  1
 44 57  1  0
 57 58  1  1
 57 59  1  0
 59 38  1  0
 59 60  1  6
 61 60  1  1
 61 62  1  0
 62 63  1  0
 63 64  1  0
 64 65  1  6
 64 66  1  0
 66 67  1  1
 66 68  1  0
 68 61  1  0
 68 69  1  6
 36 70  1  0
 70 31  1  0
 70 71  1  6
 70 72  1  0
 72 73  1  0
 23 74  1  0
 74 14  1  0
 74 75  1  6
 75 76  1  0
 76 17  1  0
 76 77  1  6
 76 78  1  0
M  CHG  2   1   1  42  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15608

> <plate>
PLATE 004

> <well>
H4

> <supplier_cmpd_name>
Sodium Aescinate

> <ctcr_id>
11160

> <supplier_cmpd_id>
T3027

> <smiles>
[Na+].CC(=O)OC(C)C(C)C(=O)OC[C@@]98[C@@H](O)[C@H]7O[C@@H]9C[C@]6(C)C(=CC[C@H]5[C@@]6(C)CC[C@@H]4[C@]5(C)CC[C@H](O[C@@H]3O[C@H](C([O-])=O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H]3
O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@]4(C)CO)[C@@H]8C[C@@]7(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{T3027,"Sodium Aescinate"}

> <pdid>

> <targets>
{HIF-1¦Á}

> <classes>
{Angiogenesis,Chromatin/Epigenetic}

> <pubchem_cids>
{133640196}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 62 68  0  0  1  0            999 V2000
    7.3451    8.5526    0.0000 C   0  0
    7.3433    7.0526    0.0000 C   0  0
    8.6417    6.2999    0.0000 C   0  0  2  0  0  0
    9.9419    7.0479    0.0000 C   0  0
    8.6400    4.8000    0.0000 C   0  0  1  0  0  0
    7.4100    4.0000    0.0000 O   0  0
    7.4100    2.4100    0.0000 C   0  0  2  0  0  0
    8.6400    1.6100    0.0000 C   0  0
    9.8600    2.4100    0.0000 C   0  0
    9.8600    4.0000    0.0000 C   0  0  2  0  0  0
   11.1798    4.7128    0.0000 C   0  0
    7.4100    0.7000    0.0000 C   0  0
    6.1800    0.0000    0.0000 C   0  0  2  0  0  0
    4.9400    0.7000    0.0000 C   0  0
    4.9400    2.4100    0.0000 C   0  0  1  0  0  0
    3.7100    3.2100    0.0000 C   0  0
    2.4800    2.4100    0.0000 C   0  0
    1.2500    3.2100    0.0000 C   0  0
    1.2500    4.7100    0.0000 C   0  0
    0.0200    2.4100    0.0000 C   0  0  1  0  0  0
   -1.2647    3.1854    0.0000 O   0  0
   -1.2351    4.6859    0.0000 C   0  0  1  0  0  0
   -2.5181    5.4633    0.0000 C   0  0
   -2.4864    6.9630    0.0000 C   0  0  2  0  0  0
   -3.7717    7.7380    0.0000 O   0  0
   -5.0852    7.0137    0.0000 C   0  0
   -1.1719    7.6854    0.0000 C   0  0  1  0  0  0
   -1.1433    9.1860    0.0000 O   0  0
   -2.4280    9.9618    0.0000 C   0  0  1  0  0  0
   -2.4016   11.4616    0.0000 C   0  0
   -3.6873   12.2344    0.0000 C   0  0  2  0  0  0
   -3.6577   13.7349    0.0000 O   0  0
   -2.3446   14.4600    0.0000 C   0  0
   -4.9993   11.5074    0.0000 C   0  0  1  0  0  0
   -6.2849   12.2802    0.0000 O   0  0
   -5.0258   10.0076    0.0000 C   0  0  2  0  0  0
   -6.3378    9.2807    0.0000 C   0  0
   -3.7402    9.2348    0.0000 O   0  0
    0.1111    6.9081    0.0000 C   0  0  2  0  0  0
    1.4256    7.6306    0.0000 C   0  0
    0.0794    5.4085    0.0000 O   0  0
    0.0200    0.7000    0.0000 C   0  0  1  0  0  0
   -1.2767   -0.0540    0.0000 C   0  0
    1.2500    0.0000    0.0000 C   0  0
    1.2500   -1.6800    0.0000 C   0  0
    2.4800   -2.4800    0.0000 C   0  0
    2.4800   -4.1900    0.0000 C   0  0
    1.2500   -4.9900    0.0000 C   0  0
    1.2500   -6.5900    0.0000 O   0  0
    3.7100   -6.5900    0.0000 C   0  0  2  0  0  0
    4.9400   -7.5000    0.0000 C   0  0  2  0  0  0
    4.9371   -9.0000    0.0000 O   0  0
    6.1800   -6.5900    0.0000 C   0  0
    6.1800   -4.9900    0.0000 C   0  0
    4.9400   -4.1900    0.0000 C   0  0  1  0  0  0
    4.9400   -2.4800    0.0000 C   0  0
    3.6228   -1.7623    0.0000 O   0  0
    6.1800   -1.6800    0.0000 O   0  0
    3.7100   -4.9900    0.0000 C   0  0  2  0  0  0
    3.7100   -3.4900    0.0000 O   0  0
    7.5181   -7.2678    0.0000 C   0  0
    6.1800    3.2100    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  6
  7  6  1  6
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
 10 11  1  1
  7 12  1  0
 13 12  1  1
 13 14  1  0
 15 14  1  1
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  6
 22 21  1  1
 22 23  1  0
 23 24  1  0
 24 25  1  6
 25 26  1  0
 24 27  1  0
 27 28  1  1
 29 28  1  6
 29 30  1  0
 30 31  1  0
 31 32  1  1
 32 33  1  0
 31 34  1  0
 34 35  1  6
 34 36  1  0
 36 37  1  1
 36 38  1  0
 38 29  1  0
 27 39  1  0
 39 40  1  6
 39 41  1  0
 41 22  1  0
 20 42  1  0
 42 43  1  6
 42 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 48 49  1  0
 50 49  1  1
 50 51  1  0
 51 52  1  1
 51 53  1  0
 53 54  2  3
 55 54  1  6
 55 56  1  0
 56 57  2  0
 56 58  1  0
 58 13  1  0
 55 59  1  0
 59 47  1  0
 59 50  1  0
 59 60  1  6
 53 61  1  0
 15 62  1  0
 62  7  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15609

> <plate>
PLATE 004

> <well>
H5

> <supplier_cmpd_name>
Ivermectin

> <ctcr_id>
5529

> <supplier_cmpd_id>
T1131

> <smiles>
CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C/C=C(C)/[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C/6CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O
)C)O2

> <pd_targets>
{ATP2A2,ATP2A1,ABCC1,ABCB1,ABCC2,GROES,GROL,ATP1A1,HSPD1,HSPE1,GLRA3,GABRB3,CHRNA7,P2RX4,P2RX7,ATP1A2,ATP1A3,GLRA1,GLRA2,GLRB,NR1H4,ABCB1A,ABCB1B,ADORA3,CHRM3,ADRA2A,SLC6A2,DRD3,SLC6A3,CHRM5,ADRA2C,CH
RM1,GLUCLX}

> <pathway_gtopdb>
{Transporter,"Unclassified protein","Other cytosolic protein","Ion channel","Transcription factor","Membrane receptor","Primary active transporter","Ligand-gated ion channel","Nuclear receptor","Famil
y A G protein-coupled receptor","Electrochemical transporter","P-type ATPase","ATP-binding cassette","Glycine receptor","GABA-A receptor","Nicotinic acetylcholine receptor","P2X receptor","Nuclear hor
mone receptor subfamily 1","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Calcium ATPase","ABCC subfamily","ABCB subfamily","Sodium potassium ATPase","Nicotinic acetyl
choline receptor alpha subunit","Nuclear hormone receptor subfamily 1 group H","Nucleotide-like receptor (family A GPCR)","Monoamine receptor","SLC06 neurotransmitter transporter family","Nuclear horm
one receptor subfamily 1 group H member 4","Adenosine receptor","Acetylcholine receptor","Adrenergic receptor","Dopamine receptor"}

> <pathway_chembl>
{Transporters,"Ion channels",Receptors,"P-type ATPases","ATP-binding cassette transporter family","Ligand-gated ion channels","Nuclear hormone receptors","G protein-coupled receptors","SLC superfamily
 of solute carriers","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","ABCC subfamily","ABCB subfamily","P2C P-type ATPases","Glycine receptors","GABA<sub>A</sub> receptors","Nicotinic acetylcholine rece
ptors","P2X receptors","1H. Liver X receptor-like receptors","Adenosine receptors","Acetylcholine receptors (muscarinic)",Adrenoceptors,"SLC6 neurotransmitter transporter family","Dopamine receptors",
Na<sup>+</sup>/K<sup>+</sup>-ATPases,"Monoamine transporter subfamily"}

> <pathway_reactome>
{Hemostasis,Metabolism,Disease,"Neuronal System","Signal Transduction","Platelet homeostasis","Metabolism of lipids","Abacavir transport and metabolism","Disorders of transmembrane transporters","Infe
ctious disease","Transmission across Chemical Synapses","Signaling by GPCR","Platelet calcium homeostasis","Fatty acid metabolism","Abacavir transmembrane transport","ABC transporter disorders","SARS-
CoV Infections","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania infection","Metabolism of steroids","GPCR ligand binding","SLC transporter disorders","Reduction of cytoso
lic Ca++ levels","Arachidonic acid metabolism","Defective ABCC2 causes DJS","Potential therapeutics for SARS","GABA receptor activation","Acetylcholine binding and downstream events","Cell recruitment
 (pro-inflammatory response)","Bile acid and bile salt metabolism","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A2 causes orthostatic intolerance (OI)","Defective SLC6A3 causes Parkinsonism-d
ystonia infantile (PKDYS)","Leishmania parasite growth and survival","Synthesis of Leukotrienes (LT) and Eoxins (EX)","Postsynaptic nicotinic acetylcholine receptors","Purinergic signaling in leishman
iasis infection","Synthesis of bile acids and bile salts","Nucleotide-like (purinergic) receptors","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection"
,"Highly calcium permeable postsynaptic nicotinic acetylcholine receptors","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Adenosine P1 receptors","Muscarinic acetylcholine recepto
rs",Adrenoceptors,"Dopamine receptors","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{CHRNA7,P2RX7}

> <broad_moa>
{"benzodiazepine receptor agonist"}

> <synonyms>
{IVERMECTIN,"Ivermectin B1a",70288-86-7,70288867,"Dihydroavermectin B1a","22,23-Dihydroavermectin B1a","22,23Dihydroavermectin B1a","avermectin H2B1a",UNII-91Y2202OUW,UNII91Y2202OUW,71827-03-7,7182703
7,"Ivermectin Component B1a",CHEBI:63941,91Y2202OUW,"5-O-demethyl-22,23-dihydroavermectin A1a","5Odemethyl22,23dihydroavermectin A1a","C48H74O14 (",T1131,Prestw-156,Ivermectin}

> <pdid>
PD129995

> <targets>
{Parasite,SARS-CoV}

> <classes>
{Anti-infection}

> <pubchem_cids>
{6321424}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 37  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
   -2.5981    0.0000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0  1  0  0  0
   -6.4952   -2.2500    0.0000 C   0  0
   -6.4952   -3.7500    0.0000 C   0  0  2  0  0  0
   -7.7942   -3.0000    0.0000 C   0  0
   -9.0933   -3.7500    0.0000 C   0  0  1  0  0  0
   -9.0565   -2.2505    0.0000 C   0  0
   -9.0933   -5.2500    0.0000 C   0  0
   -7.7942   -6.0000    0.0000 C   0  0
   -6.4952   -5.2500    0.0000 C   0  0  1  0  0  0
   -6.4952   -6.7500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -4.5000    0.0000 C   0  0
  -10.3567   -4.5216    0.0000 C   0  0
  -11.6557   -3.7715    0.0000 O   0  0
  -10.3574   -6.0216    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  9  1  0
  9  2  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13  8  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  6
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 19  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 12  1  0
 29 17  1  0
 29 30  1  6
 21 31  1  0
 31 32  1  0
 31 33  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15610

> <plate>
PLATE 004

> <well>
H6

> <supplier_cmpd_name>
Celastrol

> <ctcr_id>
2540

> <supplier_cmpd_id>
T3028

> <smiles>
CC1=C(O)C(=O)C=C2C1=CC=C3[C@@]2(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@]34C)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{celastrol,Tripterin,34157-83-0,34157830,Tripterine,C29H38O4,UNII-L8GG98663L,UNIIL8GG98663L,NSC70931,CHEBI:63959,"34157-83-0 (castrol)","34157830 (castrol)",L8GG98663L,"Celastrol, Celastrus scandens",
MFCD03424073,SR-05000002679,SR05000002679,MLS002701906,"NSC 70931",3-Hydroxy-24-nor-2-oxo-1(10),3Hydroxy24nor2oxo1(10),3,5,7-fri,7fri,T3028,201664,Celastrol,CELASTROL}

> <pdid>
PD002171

> <targets>
{Apoptosis,Autophagy,Mitophagy,Proteasome}

> <classes>
{antiinflamatory,antineoplastic,NO synthesis inhibitor,chaperone stimulant,Apoptosis,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{122724}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 16 17  0  0  1  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.3114   -2.9665    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -3.8794   -1.4442    0.0000 C   0  0
   -4.8817   -2.5602    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  0
 11  5  1  0
 11 12  1  1
 12 13  1  0
 13 14  2  3
 10 14  1  1
 14 15  1  0
 15 16  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15611

> <plate>
PLATE 004

> <well>
H7

> <supplier_cmpd_name>
Genipin

> <ctcr_id>
7216

> <supplier_cmpd_id>
T2210

> <smiles>
COC(=O)C1=CO[C@@H](O)[C@H]2[C@@H]1CC=C2CO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"choleretic agent"}

> <synonyms>
{Genipin,6902-77-8,6902778,UNII-A3V2NE52YG,UNIIA3V2NE52YG,A3V2NE52YG,ST080860,CHEBI:5298,C09780,MFCD00888600,AC1L9CSN,SureCN34249,SCHEMBL34249,MLS006010198,CHEMBL459016,AOB5626,DTXSID30894999,HMS3261H
13,EBD47596,EX-A4263,EXA4263,ZINC1681500,Tox21_500516,Tox21500516,Tox21-500516,"Tox21 500516",AM1140,">=98 (HP",T2210,S2412}

> <pdid>
PD012363

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{442424}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 35  0  0  1  0            999 V2000
   -0.0133   -5.9950    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    1.2935   -3.7495    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    6.4923    3.7567    0.0000 O   0  0
    3.8943    3.7525    0.0000 C   0  0
    3.8919    5.2525    0.0000 O   0  0
    2.5964    3.0004    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0  2  0  0  0
    5.1932   -3.0130    0.0000 O   0  0
    3.8864   -5.2585    0.0000 C   0  0  2  0  0  0
    5.1828   -6.0130    0.0000 O   0  0
    2.5847   -6.0040    0.0000 C   0  0  1  0  0  0
    2.5796   -7.5040    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  1
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16  9  1  0
 16 17  1  0
 17  6  1  0
 17 18  2  0
  7 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
 26 19  1  0
  4 27  1  0
 27 28  1  6
 27 29  1  0
 29 30  1  6
 29 31  1  0
 31  2  1  0
 31 32  1  1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15612

> <plate>
PLATE 004

> <well>
H8

> <supplier_cmpd_name>
Quercitrin

> <ctcr_id>
3204

> <supplier_cmpd_id>
T2871

> <smiles>
CC1O[C@@H](OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)[C@H](O)[C@H](O)[C@H]1O

> <pd_targets>
{PTPN1,PPO2,AKR1B1,L3MBTL1,AKR1C21,PIM2,XDH,P4HB}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein",Phosphatase,Oxidoreductase,Reader,Kinase,Isomerase,"Protein Phosphatase","Methyl-lysine/arginine binding protein","Protein Kinase","Tyrosine prote
in phosphatase","MBT domain","CAMK protein kinase group","CAMK protein kinase PIM family"}

> <pathway_chembl>
{Enzymes,Phosphatases,"1.-.-.- Oxidoreductases","Kinases (EC 2.7.x.x)","Protein tyrosine phosphatases non-receptor type (PTPN)","CAMK: Calcium/calmodulin-dependent protein kinases","PIM family"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Immune System","RNA Polymerase II Transcription","Metabolism of lipids","Metabolism of nucleotides","Cytokine Signaling in Immune system","Generic Transc
ription Pathway","Metabolism of steroids","Nucleobase catabolism","Signaling by Interleukins","Transcriptional Regulation by MECP2","Metabolism of steroid hormones","Transcriptional Regulation by TP53
","Purine catabolism","Interleukin-12 family signaling","MECP2 regulates neuronal receptors and channels","Pregnenolone biosynthesis","Regulation of TP53 Activity","Interleukin-12 signaling","Regulati
on of TP53 Activity through Methylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Spectrum_000251,Spectrum000251,Spectrum-000251,"Spectrum 000251",Spectrum2_000329,Spectrum2000329,Spectrum2-000329,"Spectrum2 000329",Spectrum3_000163,Spectrum3000163,Spectrum3-000163,"Spectrum3 0001
63",Spectrum4_000587,Spectrum4000587,Spectrum4-000587,"Spectrum4 000587",Spectrum5_001595,Spectrum5001595,Spectrum5-001595,"Spectrum5 001595",BSPBio_001625,BSPBio001625,BSPBio-001625,"BSPBio 001625",K
BioGR_001054,KBioGR001054,KBioGR-001054,"KBioGR 001054",KBioSS_000731,KBioSS000731,KBioSS-000731,"KBioSS 000731",SPECTRUM1500752,SPBio_000337,SPBio000337,SPBio-000337,"SPBio 000337",KBio2_000731,KBio2
000731,KBio2-000731,"KBio2 000731",KBio2_003299,KBio2003299,KBio2-003299,"KBio2 003299",KBio2_005867,KBio2005867,KBio2-005867,"KBio2 005867",KBio3_001125,KBio3001125,KBio3-001125,"KBio3 001125",CHEBI:
110203,CCG-38604,CCG38604,SDCCGMLS-00665,SDCCGMLS00665,T2871,1500752,Quercitrin,QUERCITRIN}

> <pdid>
PD001600

> <targets>
{}

> <classes>
{antihemmorrhagic}

> <pubchem_cids>
{6710619}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 55 62  0  0  1  0            999 V2000
   -3.8097    4.8584    0.0000 C   0  0  1  0  0  0
   -5.1182    4.1249    0.0000 C   0  0  1  0  0  0
   -6.4076    4.8912    0.0000 C   0  0  2  0  0  0
   -6.3887    6.3911    0.0000 C   0  0  1  0  0  0
   -5.0803    7.1246    0.0000 C   0  0  2  0  0  0
   -3.7908    6.3583    0.0000 O   0  0
   -5.0644    8.6254    0.0000 C   0  0
   -6.3549    9.3899    0.0000 O   0  0
   -7.6781    7.1575    0.0000 O   0  0
   -7.7161    4.1577    0.0000 O   0  0
   -5.1309    3.1249    0.0000 O   0  0
   -2.5211    4.0890    0.0000 O   0  0
   -2.5421    2.5883    0.0000 C   0  0  2  0  0  0
   -1.2553    1.8175    0.0000 C   0  0  2  0  0  0
   -1.2794    0.3176    0.0000 C   0  0  1  0  0  0
   -2.5904   -0.4113    0.0000 O   0  0
   -3.8772    0.3595    0.0000 C   0  0  1  0  0  0
   -3.8531    1.8593    0.0000 C   0  0  2  0  0  0
   -4.7109    2.3731    0.0000 O   0  0
   -5.1882   -0.3695    0.0000 C   0  0
    0.0095   -0.4512    0.0000 O   0  0
    1.3200    0.2800    0.0000 C   0  0  1  0  0  0
    1.3200    1.7700    0.0000 C   0  0
    2.6600    2.5600    0.0000 C   0  0
    4.0000    1.7900    0.0000 C   0  0  1  0  0  0
    4.0000    0.2500    0.0000 C   0  0  2  0  0  0
    2.6600   -0.5000    0.0000 C   0  0  1  0  0  0
    3.9712   -1.2285    0.0000 C   0  0
    1.3541   -1.1967    0.0000 C   0  0
    0.4922   -0.6898    0.0000 O   0  0
    5.3400   -0.5000    0.0000 C   0  0
    6.6800    0.2800    0.0000 C   0  0
    6.6800    1.7700    0.0000 C   0  0  1  0  0  0
    8.0200    2.5400    0.0000 C   0  0  2  0  0  0
    9.3600    1.7500    0.0000 C   0  0
   10.6800    2.5000    0.0000 C   0  0  1  0  0  0
   10.6800    4.0800    0.0000 C   0  0  1  0  0  0
   12.0200    4.8600    0.0000 C   0  0
   12.0200    6.3900    0.0000 C   0  0
   10.6800    7.1500    0.0000 C   0  0
    9.3600    6.3900    0.0000 C   0  0
    9.3600    4.8300    0.0000 C   0  0  1  0  0  0
    8.0200    4.0900    0.0000 C   0  0  1  0  0  0
    6.6800    4.8600    0.0000 C   0  0
    5.3400    4.0900    0.0000 C   0  0
    5.3400    2.5600    0.0000 C   0  0  2  0  0  0
    9.5200    3.6900    0.0000 O   0  0
   12.1700    3.6900    0.0000 C   0  0
    9.3610    7.8644    0.0000 C   0  0
   11.9942    7.8730    0.0000 C   0  0
   11.9764    1.7455    0.0000 O   0  0
    8.0144    1.5400    0.0000 C   0  0
    7.5455    1.2691    0.0000 C   0  0
    4.0000    3.2900    0.0000 C   0  0
    0.0556    2.5465    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  1
  7  8  1  0
  4  9  1  6
  3 10  1  1
  2 11  1  6
  1 12  1  1
 13 12  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 18 19  1  6
 17 20  1  6
 15 21  1  6
 22 21  1  1
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 27 28  1  1
 27 29  1  0
 29 30  1  0
 26 31  1  1
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  6
 38 39  1  0
 39 40  1  0
 40 41  1  0
 42 41  1  6
 42 37  1  0
 42 43  1  0
 43 34  1  0
 43 44  1  0
 44 45  2  3
 46 45  1  1
 46 25  1  0
 46 33  1  0
 43 47  1  1
 47 48  1  0
 48 37  1  0
 40 49  1  0
 40 50  1  0
 36 51  1  1
 34 52  1  6
 33 53  1  1
 25 54  1  1
 14 55  1  1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15613

> <plate>
PLATE 004

> <well>
H9

> <supplier_cmpd_name>
Saikosaponin A

> <ctcr_id>
11162

> <supplier_cmpd_id>
T2768

> <smiles>
[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@@H]1O)C)O[C@H]1CC[C@]2([C@H]([C@]1(C)CO)CC[C@]1([C@@]3(C[C@@H]([C@@]45CCC(C[C@H]4[C@]3(C=C[C@H]21)OC5)(C)C)O)C)C)C)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Saikosaponin A",20736-09-8,20736098,UNII-09O6CAG7JV,UNII09O6CAG7JV,09O6CAG7JV,CHEBI:8996,SCHEMBL179964,CHEMBL3542194,DTXSID00942951,HMS3886G06,HY-N0246,HYN0246,s5466,AKOS015896720,"saikosaponin a fr
om bupleurum falcatnum",ZINC245205019,CCG-270464,CCG270464,CS-0008277,CS0008277,N1885,C08975,Q,T3913,T2768,"Saikosaponin D"}

> <pdid>
PD056216

> <targets>
{NF-¦ÊB,Bacterial,Estrogen Receptor/ERR,NF-ºB,STAT}

> <classes>
{NF-¦ªb,Anti-infection,JAK/STAT Signaling,NF-ºB,Others,Stem Cell/Wnt}

> <pubchem_cids>
{167928}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 41 44  0  0  1  0            999 V2000
    7.3217   -3.0628    0.0000 C   0  0
    6.4437   -1.8466    0.0000 C   0  0
    7.0583   -0.4784    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    4.2506    0.5865    0.0000 C   0  0
    3.1277    1.5822    0.0000 C   0  0
    3.4277    3.0528    0.0000 C   0  0  1  0  0  0
    4.8506    3.5275    0.0000 O   0  0
    2.3048    4.0485    0.0000 C   0  0
    2.6048    5.5191    0.0000 C   0  0  1  0  0  0
    4.0277    5.9938    0.0000 O   0  0
    1.4819    6.5149    0.0000 C   0  0
    1.7819    7.9854    0.0000 C   0  0
    3.2048    8.4602    0.0000 O   0  0
    0.6596    8.9806    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.6115   -3.9772    0.0000 C   0  0
    0.1606   -3.6178    0.0000 C   0  0
   -0.8791   -4.6991    0.0000 C   0  0
   -0.4625   -6.1401    0.0000 C   0  0
    0.9937   -6.4998    0.0000 C   0  0
    2.0333   -5.4186    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.8111   -4.6641    0.0000 C   0  0
    3.9296   -5.8777    0.0000 O   0  0
    6.3036   -4.8212    0.0000 N   0  0
    6.9148   -6.1919    0.0000 C   0  0
    8.4063   -6.3511    0.0000 C   0  0
    9.0143   -7.7224    0.0000 C   0  0
    8.1308   -8.9345    0.0000 C   0  0
    6.6392   -8.7754    0.0000 C   0  0
    6.0312   -7.4042    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  0
 11 12  1  6
 11 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
  5 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 18  1  0
 17 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 25 32  1  0
 32  4  2  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 36  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15614

> <plate>
PLATE 004

> <well>
H10

> <supplier_cmpd_name>
Atorvastatin Calcium

> <ctcr_id>
4876

> <supplier_cmpd_id>
T3116

> <smiles>
CC(C)c1n(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(c2ccc(F)cc2)c(c3ccccc3)c1C(=O)Nc4ccccc4

> <pd_targets>
{HMGCR,HDAC2,HDAC1,HDAC6,CYP3A4,ABCC4,ABCB11,SLCO1B3,SLCO1B1,ABCC3,DPP4,AHR}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Transporter,"Transcription factor",Oxidoreductase,Eraser,Protease,"Cytochrome P450","Primary active transporter","Electrochemical transporter","Histone deacetylase","Cys
teine protease","Cytochrome P450 family 3","ATP-binding cassette","SLC superfamily of solute carriers","Serine protease","HDAC class I","HDAC class IIb","Cysteine protease CA clan","Cytochrome P450 fa
mily 3A","ABCC subfamily","ABCB subfamily","SLC21/SLCO family of organic anion transporting polypeptides","Serine protease SC clan","Cysteine protease C1A family","Cytochrome P450 3A4","Serine proteas
e S9B subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Other protein targets","Lanosterol biosynthesis pathway","Chromatin modifying enzymes","Cytochrome P450","ATP-binding cassette transporter family","SLC superfamily of solute car
riers","Peptidases and proteinases","Aryl hydrocarbon receptor","3.5.1.- Histone deacetylases (HDACs)","CYP3 family","ABCC subfamily","ABCB subfamily","SLCO family of organic anion transporting polype
ptides","SC: Serine (S) Peptidases","S9: Prolyl oligopeptidase"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)",Disease,Hemostasis,"Metabolism of proteins","Metabolism of lipids","RNA Polymerase II Transcription","Disorders of Developmental Biology","Platelet activa
tion","signaling and aggregation","Peptide hormone metabolism","Biological oxidations","Metabolism of steroids","Generic Transcription Pathway","Disorders of Nervous System Development","Biosynthesis 
of specialized proresolving mediators (SPMs)","Response to elevated platelet cytosolic Ca2+","Incretin synthesis",secretion,"and inactivation","Phase I - Functionalization of compounds","Regulation of
 cholesterol biosynthesis by SREBP (SREBF)","Transcriptional Regulation by TP53","Pervasive developmental disorders","Transcriptional regulation by RUNX2","Biosynthesis of DHA-derived SPMs","Platelet 
degranulation","Bile acid and bile salt metabolism",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","Cytochrome P450 - arranged by substrate type","Activation of gene expression by SRE
BF (SREBP)","Regulation of TP53 Activity","Loss of function of MECP2 in Rett syndrome","RUNX2 regulates bone development","Biosynthesis of maresins","Synthesis of bile acids and bile salts","Recycling
 of bile acids and salts","Endogenous sterols","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates osteoblast differentiation","Biosynthesis o
f maresin-like SPMs","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol"}

> <broad_targets>
{AHR,DPP4,HMGCR}

> <broad_moa>
{"HMGCR inhibitor"}

> <synonyms>
{Atorcor,Atorlip,Lipilou,Lipinon,atorvastatin,134523-00-5,134523005,Cardyl,Lipitor,"ATORVASTATIN CALCIUM",Torvast,UNII-A0JWA85V8F,UNIIA0JWA85V8F,110862-48-1,110862481,"CI 981","Lipitor (TN)",Tozalip,X
avator,A0JWA85V8F,CHEMBL1487,CHEBI:39548,"134523-00-5 (free acid)","134523005 (free acid)",134523-03-8,134523038,Prestw-1232,Atorvastatin}

> <pdid>
PD013106

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{60823}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -6.4842    5.2598    0.0000 C   0  0
   -6.4790    6.7598    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 C   0  0
   -3.9117   -8.2482    0.0000 C   0  0
   -3.9148   -9.7490    0.0000 C   0  0
   -5.2156  -10.4976    0.0000 C   0  0
   -6.5133   -9.7453    0.0000 O   0  0
   -5.2187  -11.9984    0.0000 N   0  0
   -6.5188  -12.7465    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 15 17  1  0
 17 18  3  0
  9 19  2  0
 19  5  1  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15615

> <plate>
PLATE 004

> <well>
H11

> <supplier_cmpd_name>
CUDC-101

> <ctcr_id>
1901

> <supplier_cmpd_id>
T3108

> <smiles>
COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO

> <pd_targets>
{HDAC4,ERBB2,HDAC9,HDAC10,EGFR,HDAC7,ABL1,HDAC1,HDAC3,HDAC8,LCK,HDAC5,LYN,HDAC2,HDAC6,FLT3,RET,FGFR2,KDR,SRC,HDAC11}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Kinase,"Histone deacetylase","Protein Kinase","HDAC class IIa","TK protein kinase group","HDAC class IIb","HDAC class I","Tyrosine protein kinase EGFR family","Ty
rosine protein kinase Abl family","Tyrosine protein kinase Src family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase FGFR family","Tyrosine prote
in kinase VEGFR family"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Catalytic receptors","3.5.1.- Histone deacetylases (HDACs)","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor 
tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Abl family","Src family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Type V RT
Ks: FGF (fibroblast growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Developmental Biology",Disease,"Signal Transduction","Cell Cycle","RNA Polymerase II Transcription","Nervous system development","Diseases of signal transduction by
 growth factor receptors and second messengers","Signaling by GPCR","Infectious disease","Disorders of Developmental Biology",Mitotic,"Signaling by Receptor Tyrosine Kinases","Generic Transcription Pa
thway","Axon guidance","Signaling by NOTCH1 in Cancer","GPCR downstream signalling","Leishmania infection","Disorders of Nervous System Development","M Phase","HIV Infection","Signaling by Insulin rec
eptor","Signaling by FGFR in disease","Signaling by VEGF","Signaling by NTRKs","Transcriptional regulation by RUNX2","Semaphorin interactions","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","G
 alpha (q) signalling events","Parasite infection","Pervasive developmental disorders","Mitotic Metaphase and Anaphase","Host Interactions of HIV factors","Leishmania parasite growth and survival","Tr
anscriptional Regulation by TP53","Insulin receptor signalling cascade","RET signaling","Signaling by FGFR2 in disease","VEGFA-VEGFR2 Pathway","Signaling by NTRK1 (TRKA)","RUNX2 regulates bone develop
ment","Sema4D in semaphorin signaling","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Gastrin-CREB signalling pathway via PKC and MAPK","Leishmania phagocytosis","Loss of function of MECP2
 in Rett syndrome","Mitotic Anaphase","The role of Nef in HIV-1 replication and disease pathogenesis","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of TP53 Activity"
,"IRS-mediated signalling","FGFR2 mutant receptor activation","VEGFR2 mediated cell proliferation","Signalling to ERKs","RUNX2 regulates chondrocyte maturation","Sema4D induced cell migration and grow
th-cone collapse","EGFR Transactivation by Gastrin","FCGR3A-mediated phagocytosis","Loss of MECP2 binding ability to 5mC-DNA","Loss of MECP2 binding ability to the NCoR/SMRT complex","Separation of Si
ster Chromatids","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated IL10 synthesis","Regulation of TP53 Activity through Acetylation","RU
NX2 regulates osteoblast differentiation","PI3K Cascade","Activated point mutants of FGFR2","Signalling to RAS","Nef Mediated CD4 Down-regulation","p38MAPK events"}

> <broad_targets>
{EGFR,ERBB2}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{CUDC-101,CUDC101,1012054-59-9,1012054599,"CUDC 101",UNII-1A7Y9MP123,UNII1A7Y9MP123,CHEMBL598797,1A7Y9MP123,7-(4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl)oxy-N-hydroxyheptanamide,7(4(3ethynylanilin
o)7methoxyquinazolin6yl)oxyNhydroxyheptanamide,PubChem19149,"CUDC-101, Free Base","CUDC101, Free Base",SCHEMBL93769,MLS006010163,GTPL8894,AOB6495,DTXSID00143784,E,T3108,S1194}

> <pdid>
PD011097

> <targets>
{HER2,EGFR,HDAC}

> <classes>
{Epigenetics}

> <pubchem_cids>
{24756910}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 11 12  0  0  0  0            999 V2000
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 S   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  1  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10  3  1  0
  9 11  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15616

> <plate>
PLATE 005

> <well>
A2

> <supplier_cmpd_name>
Thioguanine

> <ctcr_id>
11333

> <supplier_cmpd_id>
T3089

> <smiles>
c1nc2c([nH]1)c(=S)nc([nH]2)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{6-Thioguanine,6Thioguanine,thioguanine,154-42-7,154427,Tioguanine,2-Amino-6-mercaptopurine,2Amino6mercaptopurine,6-Mercaptoguanine,6Mercaptoguanine,Tioguanin,Tabloid,Lanvis,2-Amino-6-purinethiol,2Ami
no6purinethiol,"2-Amino 6MP","2Amino 6MP",2-Aminopurin-6-thiol,2Aminopurin6thiol,2-Aminopurine-6-thiol,2Aminopurine6thiol,2-Aminopurine-6(1H)-thione,2Aminopurine6(1H)thione,"Wellcome U3B",6-Mercap,6Me
rcap,T3089,T2A2537,Thioguanine,Guanine}

> <pdid>

> <targets>
{DNMT1}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{2723601}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -3.9492    0.8772    0.0000 C   0  0
   -4.2500   -0.5923    0.0000 S   0  0
   -4.9546    1.9903    0.0000 N   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.8190    4.6599    0.0000 O   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -1.3214    2.4906    0.0000 C   0  0
   -3.0655    4.4450    0.0000 C   0  0
   -6.4469    1.8311    0.0000 C   0  0
   -7.1532    0.5134    0.0000 C   0  0
   -8.6524    0.4669    0.0000 C   0  0
   -9.4423    1.7421    0.0000 C   0  0
  -10.9424    1.6956    0.0000 C   0  0
  -12.4417    1.6491    0.0000 N   0  0
   -8.7329    3.0637    0.0000 C   0  0
   -7.2337    3.1102    0.0000 C   0  0
   -9.5233    4.3396    0.0000 C   0  0
  -11.0226    4.2941    0.0000 F   0  0
   -8.8135    5.6610    0.0000 F   0  0
  -10.3126    5.6152    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
  8 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 12  1  0
 18 19  1  0
 18 20  1  0
 15 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  3  0
 24 27  1  0
 27 28  2  0
 28 21  1  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15617

> <plate>
PLATE 005

> <well>
A3

> <supplier_cmpd_name>
Enzalutamide

> <ctcr_id>
3700

> <supplier_cmpd_id>
T6002

> <smiles>
CNC(=O)c1ccc(cc1F)N2C(=S)N(C(=O)C2(C)C)c3ccc(C#N)c(c3)C(F)(F)F

> <pd_targets>
{AR}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 4"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX2","RUNX2 regulates bone development","RUNX2 regulates osteoblas
t differentiation"}

> <broad_targets>
{AR}

> <broad_moa>
{"androgen receptor antagonist"}

> <synonyms>
{Enzalutamide,915087-33-1,915087331,MDV3100,MDV-3100,"Enzalutamide (MDV3100)","MDV 3100",XTANDI,"MDV3100 (Enzalutamide)",UNII-93T0T9GKNU,UNII93T0T9GKNU,"MDV3100 Enzalutamide",93T0T9GKNU,CHEBI:68534,"E
nzalutamide (USAN:INN)",Enzalutamid,"Xtandi (TN)",144333,T6002,755605,S1250}

> <pdid>
PD004101

> <targets>
{Androgen Receptor,P450,Autophagy}

> <classes>
{Androgen Receptor Inhibitor,Endocrinology & Hormones,Autophagy,Others}

> <pubchem_cids>
{15951529}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -1.3040   -9.7511    0.0000 C   0  0
   -0.0032  -10.4997    0.0000 N   0  0
   -0.0001  -12.0006    0.0000 C   0  0
   -1.2978  -12.7528    0.0000 O   0  0
    1.3007  -12.7491    0.0000 O   0  0
    1.3038  -14.2500    0.0000 C   0  0
    2.6046  -14.9985    0.0000 C   0  0
    2.6098  -16.4986    0.0000 C   0  0
    3.9114  -17.2441    0.0000 C   0  0
    5.2079  -16.4896    0.0000 C   0  0
    5.2027  -14.9896    0.0000 N   0  0
    3.9011  -14.2441    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 14 27  1  0
 27 28  2  0
 28 11  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15618

> <plate>
PLATE 005

> <well>
A4

> <supplier_cmpd_name>
Entinostat

> <ctcr_id>
4609

> <supplier_cmpd_id>
T6233

> <smiles>
Nc1ccccc1NC(=O)c2ccc(CNC(=O)OCc3cccnc3)cc2

> <pd_targets>
{CYP3A4,HDAC3,HDAC1,HDAC6,HDAC2,HDAC4,HDAC10,HDAC11,HDAC5,HDAC7,HDAC8,HDAC9,NCOR2,F3}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Cytochrome P450",Eraser,"Cytochrome P450 family 3","Histone deacetylase","Cytochrome P450 family 3A","HDAC class I","HDAC class IIb","HDAC class IIa
","HDAC class IV","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","Chromatin modifying enzymes","CYP3 family","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Metabolism,Disease,"Gene expression (Transcription)","Cell Cycle","Signal Transduction","Metabolism of lipids","Disorders of Developmental Biology","RNA Polymerase II Transcription",Mitotic,"Diseases
 of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Biosynthesis of specialized proresolving mediators (SPMs)","Disorders of Nervous Sys
tem Development","Generic Transcription Pathway","M Phase","Signaling by NOTCH1 in Cancer","Signaling by NTRKs","Biosynthesis of DHA-derived SPMs","Pervasive developmental disorders","Transcriptional 
regulation by RUNX2","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Signaling by NTRK1 (TRKA)","Biosynthesis of maresins"
,"Loss of function of MECP2 in Rett syndrome","RUNX2 regulates bone development","Regulation of TP53 Activity","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Nuclear Eve
nts (kinase and transcription factor activation)","Biosynthesis of maresin-like SPMs","Loss of MECP2 binding ability to the NCoR/SMRT complex","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulat
es osteoblast differentiation","Regulation of TP53 Activity through Acetylation","RUNX2 regulates chondrocyte maturation","Separation of Sister Chromatids","NGF-stimulated transcription"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{S27,Entinostat,209783-80-2,209783802,ms-275,ms275,SNDX-275,SNDX275,"MS 275",MS-27-275,MS27275,"SNDX 275","Entinostat (MS-275)","Entinostat (MS275)",MS275,"MS 27-275","MS 27275","pyridin-3-ylmethyl 4-
((2-aminophenyl)carbamoyl)benzylcarbamate","pyridin3ylmethyl 4((2aminophenyl)carbamoyl)benzylcarbamate","pyridin-3-ylmethyl N-((4-((2-aminophenyl)carbamoyl)phenyl)methyl)carbamat","pyridin3ylmethyl N(
(4((2aminophenyl)carbamoyl)phenyl)methyl)carbamat",T6233,S1053,"Entinostat (MS-275, SNDX-275)",MS-275}

> <pdid>
PD003328

> <targets>
{HDAC Inhibitors,Apoptosis,Autophagy,HDAC}

> <classes>
{Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{4261}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
   10.3996   -1.4837    0.0000 O   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    7.8029   -2.9887    0.0000 O   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
   -1.2946   -3.7547    0.0000 C   0  0
   -2.5943   -3.0056    0.0000 C   0  0
   -3.8928   -3.7565    0.0000 C   0  0
   -3.8918   -5.2565    0.0000 C   0  0
   -5.1904   -6.0073    0.0000 I   0  0
   -2.5923   -6.0056    0.0000 C   0  0
   -1.2937   -5.2548    0.0000 C   0  0
    0.0058   -6.0039    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
 17 10  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15619

> <plate>
PLATE 005

> <well>
A5

> <supplier_cmpd_name>
PD0325901

> <ctcr_id>
2413

> <supplier_cmpd_id>
T6189

> <smiles>
OCC(O)CONC(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2F

> <pd_targets>
{MAP2K2,MAP2K1,BRAF,MAPK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","STE protein kinase group","TKL protein kinase group","CMGC protein kinase group","STE protein kinase STE7 family","TKL protein kinase RAF family","CMGC protein kinase 
MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",
"STE7 family","TKL: Tyrosine kinase-like","Mitogen-activated protein kinases (MAP kinases)","RAF family","ERK subfamily"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Signaling by Receptor Tyrosine Kinases","Innate Immune System","Signaling by NTRKs","Toll-like Receptor Cascades","Signaling by NTRK1 (TRKA)","Toll Like Recepto
r 5 (TLR5) Cascade","Signalling to ERKs","MyD88 cascade initiated on plasma membrane","Prolonged ERK activation events","MAP kinase activation","Frs2-mediated activation","ARMS-mediated activation","M
APK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{MAP2K1}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{"N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide","N(2,3dihydroxypropoxy)3,4difluoro2(2fluoro4iodoanilino)benzamide",391209-97-5,391209975,SCHEMBL453656,CHEMBL450775,CHEBI:9
4389,HMS3244G07,HMS3244G08,HMS3244H07,HMS3295C05,HMS3654C09,BCP01841,MFCD09909925,AKOS015896067,ES-0007,ES0007,NCGC00189075-02,NCGC0018907502,AC-,AC,S1036,PD0325901}

> <pdid>
PD006105

> <targets>
{MEK}

> <classes>
{}

> <pubchem_cids>
{10206158}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 38 43  0  0  0  0            999 V2000
    3.8756   -9.7579    0.0000 C   0  0
    3.8808   -8.2579    0.0000 N   0  0
    5.1824   -7.5124    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 O   0  0
    3.9020    3.7405    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.6012    3.0008    0.0000 N   0  0
   -3.9020    3.7494    0.0000 C   0  0
   -5.1985    2.9949    0.0000 C   0  0
   -5.1934    1.4949    0.0000 Cl  0  0
   -6.5002    3.7404    0.0000 C   0  0
   -6.5054    5.2404    0.0000 C   0  0
   -5.2089    5.9949    0.0000 C   0  0
   -4.9026    7.4624    0.0000 O   0  0
   -3.4113    7.6244    0.0000 C   0  0
   -2.7965    6.2562    0.0000 O   0  0
   -3.9073    5.2494    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 11 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 22  1  0
 31 27  2  0
 20 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 19  1  0
 35 36  2  0
 36  9  1  0
  5 37  1  0
 37 38  1  0
 38  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15620

> <plate>
PLATE 005

> <well>
A6

> <supplier_cmpd_name>
Saracatinib

> <ctcr_id>
1479

> <supplier_cmpd_id>
T6078

> <smiles>
CN1CCN(CCOc2cc(OC3CCOCC3)c4c(Nc5c(Cl)ccc6OCOc56)ncnc4c2)CC1

> <pd_targets>
{SRC,KDR,CSK,YES1,LCK,KIT,ABL1,PKMYT1,EGFR,CDK2,PDGFRA,MAP2K1,MAP2K2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","CMGC protein kinase group","STE protein kinase group","Tyrosine protein kinase Src family","Tyrosine protein kin
ase VEGFR family","Tyrosine protein kinase Csk family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Abl family","Other protein kinase WEE family","Tyrosine protein kinase EGFR famil
y","CMGC protein kinase CDK family","STE protein kinase STE7 family","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TK: Tyrosine kinase","Other protein kinases","Cyclin-dependent kinas
e (CDK) family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","WEE family","CDK1 subfamily","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor 
family","Csk family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Abl family","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Cell Cycle","Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers
","Infectious disease",Mitotic,"Signaling by GPCR","RNA Polymerase II Transcription","Signaling by NTRKs","Signaling by VEGF","Oncogenic MAPK signaling","Leishmania infection","HIV Infection","Signali
ng by KIT in disease","Mitotic G2-G2/M phases","GPCR downstream signalling","Generic Transcription Pathway","Signaling by PDGFR in disease","Signaling by NTRK1 (TRKA)","VEGFA-VEGFR2 Pathway","Signalin
g by RAS mutants","Leishmania parasite growth and survival","Host Interactions of HIV factors","Drug resistance of KIT mutants","Parasite infection","G2/M Transition","G alpha (q) signalling events","
Transcriptional Regulation by TP53","Drug resistance of PDGFR mutants","Signalling to ERKs","VEGFR2 mediated cell proliferation","Signaling downstream of RAS mutants","Anti-inflammatory response favou
ring Leishmania parasite infection","The role of Nef in HIV-1 replication and disease pathogenesis","Dasatinib-resistant KIT mutants","Leishmania phagocytosis","Cyclin A/B1/B2 associated events during
 G2/M transition","Gastrin-CREB signalling pathway via PKC and MAPK","Regulation of TP53 Activity","Imatinib-resistant PDGFR mutants","Signalling to RAS","FCGR3A-mediated IL10 synthesis","Nef-mediates
 down modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","Regulation of TP53 Expression and Degradation","p3
8MAPK events","Nef Mediated CD4 Down-regulation","Regulation of TP53 Degradation"}

> <broad_targets>
{ABL1,LCK,SRC,YES1}

> <broad_moa>
{"SRC inhibitor"}

> <synonyms>
{Saracatinib,379231-04-6,379231046,"Saracatinib (AZD0530)",AZD0530,AZD-0530,"AZD 0530",UNII-9KD24QGH76,UNII9KD24QGH76,"SARACATINIB, FREE BASE",9KD24QGH76,CHEMBL217092,H8H,nchembio866-comp19,nchembio86
6comp19,"Saracatinib (USAN:INN)",2h8h,"Saracatinib,AZD0530","Saracatinib (USAN",T6078,S1006,saracatinib,AZD0530(Saracatinib),SARACATINIB}

> <pdid>
PD003218

> <targets>
{Src-bcr-Abl,"SRC/ABL Inhibitors",ABL,SRC,Autophagy,Src}

> <classes>
{Autophagy,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{10302451}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 62 66  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -2.5998    3.0004    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   11.5957   -1.5000    0.0000 C   0  0
   10.2966   -0.7500    0.0000 C   0  0
   10.2966    0.7500    0.0000 C   0  0
    8.9976    1.5000    0.0000 C   0  0
    7.6985    0.7500    0.0000 C   0  0
    7.6985   -0.7500    0.0000 C   0  0
    8.9976   -1.5000    0.0000 C   0  0
    6.3988    1.5004    0.0000 S   0  0
    5.1000    0.7500    0.0000 O   0  0
    6.3978    3.0004    0.0000 O   0  0
    5.0994    2.2498    0.0000 O   0  0
   38.9032    2.6332    0.0000 C   0  0
   38.2885    1.2649    0.0000 S   0  0
   39.1665    0.0487    0.0000 O   0  0
   39.7808    1.4169    0.0000 O   0  0
   36.7953    1.1135    0.0000 C   0  0
   35.9168    2.3304    0.0000 C   0  0
   34.4237    2.1789    0.0000 N   0  0
   33.5452    3.3958    0.0000 C   0  0
   32.0546    3.2447    0.0000 C   0  0
   31.0526    4.3610    0.0000 O   0  0
   29.7002    3.7421    0.0000 C   0  0
   29.8358    2.2610    0.0000 C   0  0
   31.3025    1.9468    0.0000 C   0  0
   28.4006    4.4925    0.0000 C   0  0
   28.4005    5.9925    0.0000 C   0  0
   27.1015    6.7425    0.0000 C   0  0
   25.8025    5.9924    0.0000 C   0  0
   24.5034    6.7424    0.0000 N   0  0
   23.2044    5.9924    0.0000 C   0  0
   23.2044    4.4924    0.0000 N   0  0
   24.5034    3.7424    0.0000 C   0  0
   24.5004    2.2416    0.0000 N   0  0
   23.1995    1.4930    0.0000 C   0  0
   23.1943   -0.0070    0.0000 C   0  0
   21.8927   -0.7525    0.0000 C   0  0
   20.5962    0.0020    0.0000 C   0  0
   19.2954   -0.7466    0.0000 O   0  0
   19.2924   -2.2474    0.0000 C   0  0
   17.9916   -2.9960    0.0000 C   0  0
   17.9863   -4.4961    0.0000 C   0  0
   16.6847   -5.2416    0.0000 C   0  0
   15.3883   -4.4871    0.0000 C   0  0
   15.3934   -2.9872    0.0000 C   0  0
   14.0970   -2.2327    0.0000 F   0  0
   16.6950   -2.2416    0.0000 C   0  0
   20.6014    1.5020    0.0000 C   0  0
   19.3050    2.2565    0.0000 Cl  0  0
   21.9030    2.2475    0.0000 C   0  0
   25.8025    4.4924    0.0000 C   0  0
   27.1015    3.7424    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  8 10  2  0
  8 11  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 19 21  2  0
 19 22  2  0
 23 24  1  0
 24 25  2  0
 24 26  2  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 31  2  0
 33 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  1  0
 55 57  2  0
 57 51  1  0
 48 58  1  0
 58 59  1  0
 58 60  2  0
 60 45  1  0
 43 61  1  0
 61 39  1  0
 61 62  2  0
 62 36  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15621

> <plate>
PLATE 005

> <well>
A7

> <supplier_cmpd_name>
Lapatinib Ditosylate

> <ctcr_id>
2541

> <supplier_cmpd_id>
T6235

> <smiles>
Cc1ccc(cc1)[S](O)(=O)=O.Cc2ccc(cc2)[S](O)(=O)=O.C[S](=O)(=O)CCNCc3oc(cc3)c4ccc5ncnc(Nc6ccc(OCc7cccc(F)c7)c(Cl)c6)c5c4

> <pd_targets>
{AURKB,RET,ERBB2,EGFR,ABL1,ABCB11,PDGFRB,ERBB3,KCNH2,CYP3A5,CDK2,INSR,PIK3C2B,TUBA1A,SLK,KMT2A,MEN1,PI4KB,MAP2K5,STK10,MAP2K7,RIPK2,CYP3A4,PIK3C2G,ERBB4}

> <pathway_gtopdb>
{Enzyme,Transporter,"Ion channel","Structural protein","Epigenetic regulator",Kinase,"Primary active transporter","Voltage-gated ion channel","Cytochrome P450",Transferase,Reader,"Protein Kinase","ATP
-binding cassette","Potassium channels","Cytochrome P450 family 3",Bromodomain,"Other protein kinase group","TK protein kinase group","ABCB subfamily","Voltage-gated potassium channel","Cytochrome P45
0 family 3A","CMGC protein kinase group","STE protein kinase group","TKL protein kinase group","Other protein kinase AUR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase EGFR fami
ly","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR family","Cytochrome P450 3A5","CMGC protein kinase CDK family","Tyrosine protein kinase InsR family","STE protein kinase STE20 f
amily","STE protein kinase STE7 family","TKL protein kinase RIPK family","Cytochrome P450 3A4","CMGC protein kinase CDC2 subfamily","STE protein kinase SLK subfamily"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels",Enzymes,"Other protein targets","Catalytic receptors","ATP-binding cassette transporter family","Voltage-gated ion channels","Cytochrome P450","Kinases (EC 2.7.x
.x)",Tubulins,"Receptor kinases","ABCB subfamily","Potassium channels","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid modifying kinases","STE: Homologs of yeast Sterile 7","Steri
le 11","Sterile 20 kinases","Other protein kinases","TK: Tyrosine kinase","Voltage-gated potassium channels","Cyclin-dependent kinase (CDK) family","Phosphatidylinositol-4-phosphate 3-kinase family","
STE20 family","1-phosphatidylinositol 4-kinase family","STE7 family","TKL: Tyrosine kinase-like","Aurora kinase (Aur) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)"
,"CDK1 subfamily","SLK subfamily","Receptor interacting protein kinase (RIPK) family","Type XIV RTKs: RET","Type I RTKs: ErbB (epidermal growth factor) receptor family","Abl family","Type III RTKs: PD
GFR",CSFR,Kit,"FLT3 receptor family","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Cell Cycle","Developmental Biology","Signal Transduction",Disease,Metabolism,"Muscle contraction","Gene expression (Transcription)","Immune System","Neuronal System",Mitotic,"Nervous system developm
ent","Signaling by GPCR","Infectious disease","Metabolism of lipids","Intracellular signaling by second messengers","Cardiac conduction","Biological oxidations","RNA Polymerase II Transcription","Sign
aling by Receptor Tyrosine Kinases","Innate Immune System","Transmission across Chemical Synapses","M Phase","Axon guidance","GPCR downstream signalling","Leishmania infection","Metabolism of steroids
","PIP3 activates AKT signaling","Phase 3 - rapid repolarisation","Phase I - Functionalization of compounds","Generic Transcription Pathway","Phospholipid metabolism","Mitotic G2-G2/M phases","Signali
ng by NTRKs","Neutrophil degranulation","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Mit
otic Metaphase and Anaphase","RET signaling","Semaphorin interactions","G alpha (q) signalling events","Parasite infection","Bile acid and bile salt metabolism","Negative regulation of the PI3K/AKT ne
twork","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by TP53","PI Metabolism","G2/M Transition","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","Biosynth
esis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Mitotic Anaphase","Sema4D in semaphorin signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Leishmania phag
ocytosis","Synthesis of bile acids and bile salts",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling",Xenobiotics,"Regulation of TP53 Activity","Synthesis of PIPs at the plasma membrane","Centrosome mat
uration","Synthesis of PIPs at the Golgi membrane","Signalling to ERK5","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Post NMDA receptor activation events","Separation of Si
ster Chromatids","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by Gastrin","FCGR3A-mediated phagocytosis","Synthesis of bile acids and bile salts via 7alpha-hydroxycho
lesterol","Regulation of TP53 Expression and Degradation","Loss of proteins required for interphase microtubule organization from the centrosome","MAP kinase activation","Biosynthesis of maresin-like 
SPMs","Long-term potentiation","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","activated
 TAK1 mediates p38 MAPK activation"}

> <broad_targets>
{EGFR,ERBB2}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{"Lapatinib Ditosylate",388082-77-7,388082777,Tykerb,Tyverb,"Lapatinib (GW-572016) Ditosylate","Lapatinib (GW572016) Ditosylate","Lapatinib (ditosylate)",388082-78-8,388082788,UNII-4WK72K94MC,UNII4WK7
2K94MC,4WK72K94MC,"388082-77-7 (ditosylate)","388082777 (ditosylate)","Lapatinib Ditosylate (Tykerb, Tyverb, GW-572016)","Lapatinib Ditosylate (Tykerb, Tyverb, GW572016)",Tyker,T6235,T0078L,S1028,"Lap
atinib ditosylate monohydrate",lapatinib}

> <pdid>
PD003505

> <targets>
{EGFR(HER),HER2,EGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{9941095}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 43 49  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 C   0  0
    1.8032    3.1233    0.0000 N   0  0
    2.4134    4.4924    0.0000 C   0  0
    3.9053    4.6489    0.0000 O   0  0
    1.5317    5.7059    0.0000 C   0  0
    0.0400    5.5491    0.0000 C   0  0
   -0.5701    4.1788    0.0000 C   0  0
    0.3114    2.9665    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 O   0  0
    0.0049   -5.9994    0.0000 C   0  0
    1.3026   -5.2471    0.0000 O   0  0
    0.0080   -7.5002    0.0000 N   0  0
    1.3070   -8.2503    0.0000 C   0  0
    1.3071   -9.7503    0.0000 C   0  0
    0.0081  -10.5003    0.0000 C   0  0
   -1.2910   -9.7503    0.0000 C   0  0
   -1.2910   -8.2503    0.0000 C   0  0
    0.0081  -12.0011    0.0000 N   0  0
    1.3060  -12.7532    0.0000 C   0  0
    1.3036  -14.2532    0.0000 C   0  0
    0.0034  -15.0012    0.0000 C   0  0
   -1.2944  -14.2491    0.0000 C   0  0
   -1.2921  -12.7491    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.8417    6.7626    0.0000 C   0  0
   -1.4181    5.3777    0.0000 O   0  0
   -1.6822    7.9814    0.0000 C   0  0
   -3.1799    7.8988    0.0000 C   0  0
   -0.2316    8.1329    0.0000 C   0  0
   -1.1133    9.3464    0.0000 O   0  0
    1.2601    8.2897    0.0000 O   0  0
    2.1418    7.0762    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12  6  1  0
 12 13  1  0
 13  4  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 25 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 18 34  1  0
 34 35  2  0
 35  3  1  0
 35 15  1  0
 10 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 36 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  1  0
 43  9  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15622

> <plate>
PLATE 005

> <well>
A8

> <supplier_cmpd_name>
Irinotecan

> <ctcr_id>
5530

> <supplier_cmpd_id>
T6228

> <smiles>
CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(OC(=O)N6CCC(CC6)N7CCCCC7)cc15)C(O)(CC)C(=O)OC4

> <pd_targets>
{RMLC,NCOA1,NCOA3,HPGD,ALDH1A1,GLA,LMNA,KDM4E,HSD17B10,GAA,ACHE,MMP1,CYP3A4,PAX8,ADRA2C,SLC47A1,SLC22A3,SLC47A2,SLC22A1,CHRM4,SLC22A2,TOP1,TOP1MT}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other nuclear protein","Unclassified protein","Membrane receptor",Transporter,Isomerase,Writer,Oxidoreductase,Hydrolase,Eraser,Protease,"Cytochrome P450","Family A G pr
otein-coupled receptor","Electrochemical transporter","Histone acetyltransferase","Lysine demethylase","Cysteine protease","Metallo protease","Cytochrome P450 family 3","Small molecule receptor (famil
y A GPCR)","SLC superfamily of solute carriers","SRC family","Jumonji domain-containing","Cysteine protease CA clan","Metallo protease MAM clan","Cytochrome P450 family 3A","Monoamine receptor","SLC47
 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","Cysteine protease C1A family","Metallo protease M10A subfamily","Cytochrome P450 3A4","A
drenergic receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Chromatin modifying enzymes","Eicosanoid turnover","3.2.1.- Glycosidases","Acetylcholine turnover","Peptidases and proteinases","Cytochrome P450","G protein-coupled re
ceptors","SLC superfamily of solute carriers","DNA topoisomerases","2.3.1.48 Histone acetyltransferases (HATs)","Prostaglandin synthases","1.14.11.- Histone demethylases","MA: Metallo (M) Peptidases",
"CYP3 family",Adrenoceptors,"SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","Acetylcholine receptors (muscarinic)","M10: Matrix met
allopeptidase","Organic cation transporters (OCT)"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Immune System","Signal Transduction","Transport of small molecules","Metabolism of proteins","Metabolism of lipids","Biological oxidations",Mitotic,"Metabolism of ami
no acids and derivatives","Diseases of metabolism","Cytokine Signaling in Immune system","Signaling by GPCR","SLC-mediated transmembrane transport","Post-translational protein modification","Metabolis
m of steroids","Regulation of lipid metabolism by PPARalpha","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Sphingolipid metabolism","M Phase",
"Branched-chain amino acid catabolism","Diseases of carbohydrate metabolism","Phospholipid metabolism","Signaling by Interleukins","GPCR ligand binding","Transport of bile salts and organic acids","me
tal ions and amine compounds",SUMOylation,"Bile acid and bile salt metabolism","PPARA activates gene expression","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Glycosphingolipid metabolism","
Mitotic Metaphase and Anaphase","Glycogen storage diseases","Glycerophospholipid biosynthesis","Interleukin-4 and Interleukin-13 signaling","Class A/1 (Rhodopsin-like receptors)","Organic cation/anion
/zwitterion transport","SUMO E3 ligases SUMOylate target proteins","Synthesis of bile acids and bile salts","Biosynthesis of D-series resolvins","Mitotic Anaphase","Glycogen storage disease type II (G
AA)","Synthesis of PC","Biosynthesis of maresins","Amine ligand-binding receptors","Organic cation transport","SUMOylation of DNA replication proteins","Synthesis of bile acids and bile salts via 27-h
ydroxycholesterol","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs",Adrenoceptors,"Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{LSM-4269,LSM4269,CHEMBL10456,SCHEMBL12313065,CHEBI:93762,STL483712,AKOS037483529,NCGC00167833-01,NCGC0016783301,FT-0602416,FT0602416,Q27165452,T6228,S1198,Irinotecan}

> <pdid>
PD009733

> <targets>
{Topoisomerase}

> <classes>
{"DNA Damage"}

> <pubchem_cids>
{3750}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 32  0  0  1  0            999 V2000
    2.5909   -6.0056    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0  2  0  0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4897   -5.2632    0.0000 O   0  0
    5.1873   -7.5117    0.0000 N   0  0
    6.4855   -8.2648    0.0000 C   0  0  2  0  0  0
    7.7850   -7.5140    0.0000 C   0  0
    9.0840   -8.2640    0.0000 O   0  0
    7.7855   -6.0132    0.0000 O   0  0
    9.0850   -5.2623    0.0000 C   0  0
    9.0855   -3.7623    0.0000 C   0  0
   10.3840   -6.0123    0.0000 C   0  0
   10.3841   -4.5125    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    7.7798  -10.5202    0.0000 C   0  0
    7.7746  -12.0202    0.0000 C   0  0
    6.4729  -12.7657    0.0000 C   0  0
    5.1765  -12.0112    0.0000 C   0  0
    5.1817  -10.5112    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14  7  1  0
  2 15  1  0
 15 16  2  0
 15 17  1  0
 18 17  1  6
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 18 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15623

> <plate>
PLATE 005

> <well>
A9

> <supplier_cmpd_name>
DAPT

> <ctcr_id>
7184

> <supplier_cmpd_id>
T6202

> <smiles>
C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccccc2

> <pd_targets>
{APH1A,APH1B,NCSTN,PSEN1,PSEN2,PSENEN,RORC}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Protease,"Other ion channel","Aspartic protease","Miscellaneous ion channel","Aspartic protease AD clan","Presenilin ER Ca2+ leak channel family","Aspartic protease A22A subfamil
y","Aspartic protease A22A regulatory subfamily","Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone recept
or subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","AD: Aspartic (A) Peptidases","A22: Presenilin",Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","EPH-Ephrin signaling","EPH-ephrin mediated repulsion of cells","Gene expression (Transcription)","RNA Polymerase II Transcription
","Generic Transcription Pathway","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{}

> <broad_moa>
{"gamma secretase inhibitor"}

> <synonyms>
{dapt,208255-80-5,208255805,"DAPT (GSI-IX)","DAPT (GSIIX)",GSI-IX,GSIIX,"gamma-Secretase Inhibitor IX","gammaSecretase Inhibitor IX",CHEBI:86193,LY-374973,LY374973,CHEMBL255682,MFCD04974585,"N-(N-(3,5
-difluorophenacetyl)-L-alanyl)-S-phenylglycine tert-butyl ester","N(N(3,5difluorophenacetyl)Lalanyl)Sphenylglycine tertbutyl ester",N-(N-(3,N(N(3,5-Difluorophenacetyl-L-alanyl))-S-phenylglycin,5Difluo
rophenacetylLalanyl))Sphenylglycin,T6202,S2215,DAPT}

> <pdid>
PD010823

> <targets>
{Beta Amyloid,Gamma-secretase,Amyloid-²,Apoptosis,Autophagy,Notch,³-secretase}

> <classes>
{Apoptosis,Autophagy,Neuronal Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{5311272}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 38 41  0  0  0  0            999 V2000
    6.6745   -6.6103    0.0000 C   0  0
    7.6412   -5.4633    0.0000 C   0  0
    9.1179   -5.7270    0.0000 C   0  0
   10.0845   -4.5800    0.0000 N   0  0
    9.5745   -3.1693    0.0000 C   0  0
    8.0979   -2.9056    0.0000 C   0  0
    7.5847   -1.4952    0.0000 C   0  0
    6.1069   -1.2335    0.0000 N   0  0
    5.5920    0.1754    0.0000 C   0  0
    4.1145    0.4339    0.0000 C   0  0
    3.1484   -0.7186    0.0000 C   0  0
    3.6667   -2.1252    0.0000 C   0  0
    5.1442   -2.3838    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
    1.0157    5.5663    0.0000 Cl  0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
    7.1312   -4.0527    0.0000 C   0  0
   13.8845    1.3531    0.0000 O   0  0
   13.8845   -0.1469    0.0000 C   0  0
   12.5852   -0.8965    0.0000 O   0  0
   15.1845   -0.8969    0.0000 C   0  0
   16.4845   -0.1469    0.0000 C   0  0
   17.7845   -0.8969    0.0000 C   0  0
   17.7845   -2.3969    0.0000 O   0  0
   19.0838   -0.1473    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 11 14  2  3
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 14  1  0
 29 24  1  0
  6 30  2  0
 30  2  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 36 38  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15624

> <plate>
PLATE 005

> <well>
A10

> <supplier_cmpd_name>
Rupatadine Fumarate

> <ctcr_id>
7268

> <supplier_cmpd_id>
T6242

> <smiles>
Cc1cncc(CN2CCC(CC2)=C3c4ccc(Cl)cc4CCc5cccnc35)c1.OC(=O)\C=C\C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"UR-12592 fumarate","UR12592 fumarate",Rupafin,"Rupatadin Fumarate","Rupatadine fumarate",182349-12-8,182349128,"Rupatadine (Fumarate)",UNII-XJ6OT32M93,UNIIXJ6OT32M93,Alergoliber,XJ6OT32M93,"182349-1
2-8 (fumarate)","182349128 (fumarate)",Rupax,MFCD00926499,Rupatall,Tamalis,Wystamm,Ralif,"Rinialer (T",S3052,"Rupatadine Fumarate"}

> <pdid>

> <targets>
{"Histamine Receptor"}

> <classes>
{"Neuronal Signaling"}

> <pubchem_cids>
{6449107}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    6.8067   -6.0878    0.0000 C   0  0
    5.5290   -6.8737    0.0000 O   0  0
    4.2107   -6.1619    0.0000 C   0  0
    4.0146   -4.6747    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8242   -5.7201    0.0000 N   0  0
    2.8570   -6.8080    0.0000 C   0  0
    2.5812   -8.2806    0.0000 C   0  0
    1.1659   -8.7799    0.0000 C   0  0
   -0.0469   -7.9190    0.0000 N   0  0
   -1.2399   -8.8283    0.0000 C   0  0
   -2.6768   -8.3976    0.0000 C   0  0
   -0.7438  -10.2439    0.0000 C   0  0
    0.7558  -10.2095    0.0000 C   0  0
    1.6721  -11.3971    0.0000 C   0  0
   10.6074   -3.4488    0.0000 C   0  0
   10.6074   -4.9488    0.0000 S   0  0
    9.3081   -5.6984    0.0000 O   0  0
   11.9066   -5.6984    0.0000 O   0  0
   10.6074   -6.4488    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13  8  1  0
 13 14  2  3
 14  6  1  0
  5 15  1  0
 15 16  1  0
 16  3  1  0
 16 17  2  3
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 18  2  0
 23 24  1  0
 25 26  1  0
 26 27  2  0
 26 28  2  0
 26 29  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15625

> <plate>
PLATE 005

> <well>
A11

> <supplier_cmpd_name>
Obatoclax Mesylate

> <ctcr_id>
3668

> <supplier_cmpd_id>
T6275

> <smiles>
COC1=CC(=C2C=C3C=CC=CC3=N2)NC1=Cc4[nH]c(C)cc4C.CS(=O)(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Obatoclax mesylate",803712-79-0,803712790,"803712 79 0","BCl-2 Inhibitor GX15-070","BCl2 Inhibitor GX15070","BCl 2 Inhibitor GX15 070","Obatoclax (GX15-070)","Obatoclax (GX15070)","Obatoclax (GX15 0
70)",HMS3654E13,HMS3746M11,BCP01829,ANW-53674,ANW53674,OBATOCLAX}

> <pdid>
PD030207

> <targets>
{"BCL2 FAMILY"}

> <classes>
{}

> <pubchem_cids>
{70700268}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

  9  8  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 Se  0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 N   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7992    0.0004    0.0000 O   0  0
    6.5000    2.2500    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15626

> <plate>
PLATE 005

> <well>
B2

> <supplier_cmpd_name>
Selenomethionine

> <ctcr_id>
11171

> <supplier_cmpd_id>
T1658

> <smiles>
C[Se]CCC(N)C(=O)O

> <pd_targets>
{FFP,LMNA,ALDH1A1,GPR84,HCAR3,FFAR1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Transferase,Oxidoreductase,"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Carboxylic acid receptor","Hydroxycarbox
ylic acid receptor","Lipid-like ligand receptor (family A GPCR)","Free fatty acid receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Orphan and other 7TM receptors","Class A Orphans","Hydroxycarboxylic acid receptors","Free fatty acid receptors"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Mitotic,"Biological oxidations","M Phase","Phase I - Functionalization of compounds","Mitotic Metaphase and Anaphase","Ethanol oxidation","Mitotic Anaphase","Nuclear Envelope 
(NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation",Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring L
eishmania parasite infection","ADORA2B mediated anti-inflammatory cytokines production","Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Hydroxyc
arboxylic acid-binding receptors","Integration of energy metabolism","Regulation of insulin secretion","Free fatty acids regulate insulin secretion","Fatty Acids bound to GPR40 (FFAR1) regulate insuli
n secretion"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{Selenomethionine,DL-Selenomethionine,DLSelenomethionine,1464-42-2,1464422,"Butanoic acid, 2-amino-4-(methylseleno)-","Butanoic acid, 2amino4(methylseleno)",2578-28-1,2578281,(+-)-Selenomethionine,(+)
Selenomethionine,"SELENIUM METHIONINE","Methionine, seleno","2-amino-4-(methylselanyl)butanoic acid","2amino4(methylselanyl)butanoic acid","Selenomethionine (van)",2-amin,2amin,T1658,T4765,L-Norleucin
e}

> <pdid>
PD000174

> <targets>
{"Amino Acids and Derivatives"}

> <classes>
{Others}

> <pubchem_cids>
{15103}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  5
    2.5973   -1.5031    0.0000 N   0  3
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 N   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.8193    4.6606    0.0000 C   0  0
   -4.0353    5.9336    0.0000 C   0  0
   -4.7489    7.2530    0.0000 C   0  0
   -6.2483    7.2947    0.0000 N   0  0
   -7.0341    6.0170    0.0000 C   0  0
   -6.3205    4.6976    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 N   0  0
   -6.4469    1.8311    0.0000 C   0  0
   -7.4153    2.9701    0.0000 C   0  0
   -8.8906    2.6991    0.0000 C   0  0
   -9.3937    1.2860    0.0000 C   0  0
  -10.8690    1.0150    0.0000 F   0  0
   -8.4213    0.1438    0.0000 C   0  0
   -6.9460    0.4147    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 12 19  2  0
 19 20  1  0
 20 10  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 21  1  0
M  CHG  2   1  -1   2   1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15627

> <plate>
PLATE 005

> <well>
B3

> <supplier_cmpd_name>
PD 169316

> <ctcr_id>
1408

> <supplier_cmpd_id>
T2432

> <smiles>
[O-][N+](=O)c1ccc(cc1)c2[nH]c(c3ccncc3)c(n2)c4ccc(F)cc4

> <pd_targets>
{GMNN,RECQL,MAPT,THRB,THPO,NFKB1,PMP22,BLM,CHRM1,ALOX5,LMNA,NS1,MAPK1,KMT2A,MEN1,CYP3A4,ALDH1A1,NPSR1,TYR,MTOR}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Other cytosolic protein","Transcription factor","Membrane receptor","Other nuclear protein","Epigenetic regulator",Protease,"Nuclear receptor","Family A G protein-coupl
ed receptor",Oxidoreductase,Kinase,Reader,"Cytochrome P450","Cysteine protease","Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","Protein Kinase",Bromodomain,"Cytochrom
e P450 family 3","Peptide receptor (family A GPCR)","Cysteine protease CA clan","Nuclear hormone receptor subfamily 1 group A","Monoamine receptor","CMGC protein kinase group","Cytochrome P450 family 
3A","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group A member 2","Acetylcholine receptor","CMGC prote
in kinase MAPK family","Cytochrome P450 3A4","Neuropeptide receptor","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","G protein-coupled receptors","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Cytochrome P450","1.-.-.- Oxidoreductases","1A. Thyroid hormone receptors","A
cetylcholine receptors (muscarinic)",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","Neuropeptide S receptor",Atypical,"Mitogen-activated protein kinases (MAP kinases)","P
hosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle","Neuronal System","Metabolism of proteins",Hemostasis,"Immune System","Developmental Biology","DNA Repair","Signal Transduction",Metabolism,Disease,"Gene expression (Transcription)",Mito
tic,"Transmission across Chemical Synapses","Post-translational protein modification","Platelet activation","signaling and aggregation","Cytokine Signaling in Immune system","Nervous system developmen
t","DNA Double-Strand Break Repair","Signaling by GPCR","Metabolism of lipids","Innate Immune System","Biological oxidations","Infectious disease","Metabolism of amino acids and derivatives","RNA Poly
merase II Transcription","Mitotic G1 phase and G1/S transition","Neurotransmitter receptors and postsynaptic signal transmission",SUMOylation,"Platelet Aggregation (Plug Formation)","Signaling by Inte
rleukins","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","GPCR ligand binding","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Toll-
like Receptor Cascades","Phase I - Functionalization of compounds","Leishmania infection","Melanin biosynthesis","Generic Transcription Pathway","G1/S Transition","Activation of NMDA receptors and pos
tsynaptic events","SUMO E3 ligases SUMOylate target proteins","Interleukin-1 family signaling","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Class A/1 (Rhodopsin-like 
receptors)","Biosynthesis of DPA-derived SPMs","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Leishmania parasite growth
 and survival","Transcriptional Regulation by TP53","Activation of the pre-replicative complex","Post NMDA receptor activation events","SUMOylation of intracellular receptors","Interleukin-1 signaling
","HDR through Homologous Recombination (HRR)","Amine ligand-binding receptors","Biosynthesis of DPAn-3 SPMs","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins"
,"Anti-inflammatory response favouring Leishmania parasite infection","Regulation of TP53 Activity","Activation of AMPK downstream of NMDARs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Homologous D
NA Pairing and Strand Exchange","Muscarinic acetylcholine receptors","Biosynthesis of DPAn-3-derived 13-series resolvins","Nuclear Envelope (NE) Reassembly","MAP kinase activation","Biosynthesis of ma
resin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation
 of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"PD 169316",152121-53-4,152121534,"152121 53 4",PD-169316,PD169316,4-(4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl)pyridine,4(4(4fluorophenyl)2(4nitrophenyl)1Himidazol5yl)pyridine,"4 (4 (4 f
luorophenyl) 2 (4 nitrophenyl) 1H imidazol 5",T2432,"EMD 513030",513030}

> <pdid>
PD002750

> <targets>
{"P38 MAPK"}

> <classes>
{}

> <pubchem_cids>
{4712}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 38 38  0  0  0  0            999 V2000
    8.9915   -2.2566    0.0000 Br  0  5
  -22.1064   -3.6690    0.0000 C   0  0
  -20.8046   -2.9239    0.0000 C   0  0
  -19.5071   -3.6783    0.0000 C   0  0
  -18.2046   -2.9328    0.0000 C   0  0
  -16.9072   -3.6872    0.0000 C   0  0
  -15.6046   -2.9417    0.0000 C   0  0
  -14.3072   -3.6961    0.0000 C   0  0
  -13.0047   -2.9506    0.0000 C   0  0
  -11.7072   -3.7050    0.0000 C   0  0
  -10.4047   -2.9595    0.0000 C   0  0
   -9.1073   -3.7139    0.0000 C   0  0
   -7.8047   -2.9683    0.0000 C   0  0
   -6.5073   -3.7228    0.0000 C   0  0
   -5.2048   -2.9772    0.0000 C   0  0
   -3.9073   -3.7317    0.0000 C   0  0
   -2.6048   -2.9861    0.0000 C   0  0
   -1.3074   -3.7406    0.0000 N   0  3
   -2.6089   -4.4863    0.0000 C   0  0
   -1.3125   -5.2406    0.0000 C   0  0
   -0.0048   -2.9950    0.0000 C   0  0
    1.2926   -3.7495    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5030    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8983    0.7459    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8934   -3.7569    0.0000 C   0  0
    5.1961   -3.0132    0.0000 N   0  0
    6.4915   -3.7695    0.0000 C   0  0
    6.4843   -5.2694    0.0000 C   0  0
    5.1817   -6.0132    0.0000 C   0  0
    3.8862   -5.2570    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 28 31  1  0
 31 32  2  0
 32 25  1  0
 23 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 33  1  0
M  CHG  2   1  -1  18   1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15628

> <plate>
PLATE 005

> <well>
B4

> <supplier_cmpd_name>
Thonzonium Bromide

> <ctcr_id>
5700

> <supplier_cmpd_id>
T2188

> <smiles>
[Br-].CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c2ncccn2

> <pd_targets>
{CYP2D6,CYP2C9,APAF1,UBE2N,CASP9,FFP,FTL,STK33,BCL2A1,RORC,LMNA,CYP1A2,NR1I2,DYRK1A,HSP90AA1,USP2,AMPC,ATP6V1C1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Transcription factor","Other nuclear protein","Other cytosolic protein","Cytochrome P450",Aminoacyltransferase,Protease,Transferase,Kinase,"Nuclear receptor",Hydrolase,
"Cytochrome P450 family 2","Cysteine protease","Protein Kinase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 1","Cytochrome P450 family 2D","Cytochrome P450 family 2C","Cysteine prot
ease CD clan","CAMK protein kinase group","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 1 group I","CMGC protein kinase group","Cystein
e protease CA clan","Cytochrome P450 2D6","Cytochrome P450 2C9","Cysteine protease C14 family","CAMK protein kinase unique family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P
450 1A1","Nuclear hormone receptor subfamily 1 group I member 2","CMGC protein kinase DYRK family","Cysteine protease C19 family","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Cytochrome P450","Peptidases and proteinases","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Heat shock proteins","F-type and V-type ATPas
es","CYP2 family: drug metabolising subset","CD: Cysteine (C) Peptidases","CAMK: Calcium/calmodulin-dependent protein kinases","1F. Retinoic acid-related orphans","CYP1 family","1I. Vitamin D receptor
-like receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CA: Cysteine (C) Peptidases","V-type ATPase","C14: Caspase","CAMK-unique family","Dual-specificity tyrosine-(Y)-phosphorylation regula
ted kinase (DYRK) family","C19: Ubiquitin-specific protease","Dyrk1 subfamily"}

> <pathway_reactome>
{Metabolism,"Programmed Cell Death","Immune System","Vesicle-mediated transport","Gene expression (Transcription)","Cell Cycle","Metabolism of proteins","Signal Transduction","Biological oxidations",A
poptosis,"Innate Immune System","Membrane Trafficking","RNA Polymerase II Transcription",Mitotic,"Post-translational protein modification","Signaling by Receptor Tyrosine Kinases","Phase I - Functiona
lization of compounds","Intrinsic Pathway for Apoptosis","Toll-like Receptor Cascades","trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","M Phase",SUMOylation,"Mitotic G1 phase and
 G1/S transition","Mitotic G2-G2/M phases","Signaling by Insulin receptor","Cytochrome P450 - arranged by substrate type","Apoptotic factor-mediated response","Toll Like Receptor 4 (TLR4) Cascade","Go
lgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","SUMO E3 ligases SUMOylate target proteins","G0 and Early G1","G2/M Transition","Transcription
al Regulation by TP53","Insulin receptor recycling",Xenobiotics,"Cytochrome c-mediated apoptotic response","MyD88-independent TLR4 cascade","RUNX3 Regulates Immune Response and Cell Migration","Mitoti
c Anaphase","SUMOylation of intracellular receptors","Centrosome maturation","Regulation of TP53 Activity","CYP2E1 reactions","Formation of apoptosome","TRIF(TICAM1)-mediated TLR4 signaling","Nuclear 
Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Loss of proteins required for interphase microtubule organization from the centrosome","Regulation of TP53
 Expression and Degradation","Regulation of the apoptosome activity","IKK complex recruitment mediated by RIP1","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from mitotic centrosomes"
,"Regulation of TP53 Degradation"}

> <broad_targets>
{}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{"THONZONIUM BROMIDE",553-08-2,553082,"Thonzonium (bromide)","Tonzonium bromide",Thonzide,UNII-JI2B19CR0R,UNIIJI2B19CR0R,"NC 1264",JI2B19CR0R,MLS002154065,SMR001233380,"Tonzonium bromide (INN)",DSSTox
_CID_25326,DSSToxCID25326,DSSTox-CID-25326,"DSSTox CID 25326",DSSTox_RID_80805,DSSToxRID80805,DSSTox-RID-80805,"DSSTox RID 80805",DSSTox_GSID_45326,DSSToxGSID45326,DSSTox-GSID-45326,"DSSTox GSID 45326
","Tonzonii b",T2188,Prestw-925,"Thonzonium Bromide","Thonzonium bromide"}

> <pdid>
PD013344

> <targets>
{Bacterial,Proton Pump}

> <classes>
{Anti-infection,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{11102}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    5.1919    1.5058    0.0000 Cl  0  0
    6.4933    0.7599    0.0000 C   0  0
    6.4883    2.2599    0.0000 Cl  0  0
    7.7897    1.5144    0.0000 Cl  0  0
    6.4990   -0.7409    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    9.0990   -0.7364    0.0000 C   0  0
    9.0964    0.7636    0.0000 O   0  0
   10.4003   -1.4841    0.0000 C   0  0
   11.6990   -0.7319    0.0000 C   0  0
   13.0002   -1.4796    0.0000 C   0  0
   14.2993   -0.7296    0.0000 C   0  0
   15.5984   -1.4796    0.0000 C   0  0
   15.5984   -2.9796    0.0000 C   0  0
   14.2994   -3.7296    0.0000 C   0  0
   13.0004   -2.9797    0.0000 C   0  0
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 S   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
  5 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 21  1  0
 30 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15629

> <plate>
PLATE 005

> <well>
B5

> <supplier_cmpd_name>
Salubrinal

> <ctcr_id>
1887

> <supplier_cmpd_id>
T3045

> <smiles>
ClC(Cl)(Cl)C(NC(=O)C=Cc1ccccc1)NC(=S)Nc2cccc3cccnc23

> <pd_targets>
{MAPT,HPGD,KMT2A,MEN1}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Epigenetic regulator",Reader,Protease,Bromodomain,"Cysteine protease","Cysteine protease CA clan","Cysteine protease C1A family"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Prostaglandin synthases"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Transmission across Chemical Synapses","Metabolism of lipids","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving
 mediators (SPMs)","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Post NMDA receptor activation events","Biosynthesis of D-series resolvins","Activation of 
AMPK downstream of NMDARs"}

> <broad_targets>
{EIF2S1}

> <broad_moa>
{"eukaryotic translation initiation factor inhibitor"}

> <synonyms>
{CBDivE_007039,CBDivE007039,CBDivE-007039,"CBDivE 007039",HMS3268P04,HMS3651H12,AKOS026750638,MCULE-8609977550,MCULE8609977550,AK468720,Q27163670,T3045,S2923,Salubrinal}

> <pdid>
PD010513

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{2830510}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 O   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15630

> <plate>
PLATE 005

> <well>
B6

> <supplier_cmpd_name>
Moclobemide

> <ctcr_id>
4211

> <supplier_cmpd_id>
T0084

> <smiles>
Clc1ccc(cc1)C(=O)NCCN2CCOCC2

> <pd_targets>
{MAOA,MAOB,KCNH2,HTR1A,ALDH1A1}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Membrane receptor",Oxidoreductase,"Voltage-gated ion channel","Family A G protein-coupled receptor","Potassium channels","Small molecule receptor (family A GPCR)","Voltage-gated
 potassium channel","Monoamine receptor","Serotonin receptor"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Catecholamine turnover","Voltage-gated ion channels","G protein-coupled receptors","Potassium channels","5-Hydroxytryptamine receptors","Voltage-gated potassium chan
nels"}

> <pathway_reactome>
{Metabolism,"Muscle contraction","Signal Transduction","Biological oxidations","Cardiac conduction","Signaling by GPCR","Phase I - Functionalization of compounds","Phase 3 - rapid repolarisation","GPC
R ligand binding","Amine Oxidase reactions","Class A/1 (Rhodopsin-like receptors)","Ethanol oxidation","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Amine ligand-binding 
receptors","Serotonin receptors"}

> <broad_targets>
{MAOA,MAOB}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{moclobemide,71320-77-9,71320779,Aurorix,Moclobemid,Manerix,Moclamine,Moclaime,Moclobemidum,Moclamide,Moclobemida,4-chloro-N-(2-morpholinoethyl)benzamide,4chloroN(2morpholinoethyl)benzamide,"Moclobemi
dum (INN-Latin)","Moclobemidum (INNLatin)","Moclobemida (INN-Spanish)","Moclobemida (INNSpanish)",p-Chloro-N-(2-morpholinoethyl)benzamide,pChloroN(2morpholinoethyl)benzamide,Mo,T0084,SAM001246614,Pres
tw-353,Moclobemide,CPD000012114}

> <pdid>
PD003171

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4235}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 Cl  0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 S   0  0
   -2.5800    0.0304    0.0000 O   0  0
   -1.2638   -2.2496    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
 10 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
 14  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15631

> <plate>
PLATE 005

> <well>
B7

> <supplier_cmpd_name>
Diazoxide

> <ctcr_id>
5769

> <supplier_cmpd_id>
T0126

> <smiles>
CC1=Nc2ccc(Cl)cc2[S](=O)(=O)N1

> <pd_targets>
{RORC,LMNA,CYP2D6,AMPC,TSHR,CYP3A4,CYP1A2,ABCC8,KCNJ11,THRB,KCNJ8,CA1,CA2,ATP1A1,KCNMA1}

> <pathway_gtopdb>
{"Transcription factor","Other nuclear protein",Enzyme,"Membrane receptor","Ion channel",Transporter,"Nuclear receptor","Cytochrome P450",Hydrolase,"Family A G protein-coupled receptor","Voltage-gated
 ion channel",Lyase,"Primary active transporter","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family
 1","Potassium channels","P-type ATPase","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 2D","Glycohormone receptor","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Inw
ardly rectifying potassium channel","Nuclear hormone receptor subfamily 1 group A","Sodium potassium ATPase","Calcium-activated potassium channel","Nuclear hormone receptor subfamily 1 group F member 
3","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"Nuclear hormone receptors","Cytochrome P450","G protein-coupled receptors","Voltage-gated ion channels","Carbonic anhydrases","P-type ATPases","1F. Reti
noic acid-related orphans","CYP2 family: drug metabolising subset","Glycoprotein hormone receptors","CYP3 family","CYP1 family","Potassium channels","1A. Thyroid hormone receptors","P2C P-type ATPases
","Inwardly rectifying potassium channels",Na<sup>+</sup>/K<sup>+</sup>-ATPases,"Calcium- and sodium-activated potassium channels"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle",Metabolism,Disease,"Metabolism of proteins","Neuronal System","Immune System","Transport of small molecules",Hemostasis,"RNA Polymerase II Transcription
",Mitotic,"Biological oxidations","Infectious disease","Metabolism of lipids","Disorders of transmembrane transporters","Post-translational protein modification","Potassium Channels","Cytokine Signali
ng in Immune system","O2/CO2 exchange in erythrocytes","Platelet homeostasis","Generic Transcription Pathway","M Phase","Phase I - Functionalization of compounds","Leishmania infection","Biosynthesis 
of specialized proresolving mediators (SPMs)","ABC transporter disorders",SUMOylation,"Inwardly rectifying K+ channels","Signaling by Interleukins","Erythrocytes take up carbon dioxide and release oxy
gen","SARS-CoV Infections","Nitric oxide stimulates guanylate cyclase","Transcriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Leishmania
 parasite growth and survival","Biosynthesis of DHA-derived SPMs","Defective ABCC8 can cause hypo- and hyper-glycemias","SUMO E3 ligases SUMOylate target proteins","ATP sensitive Potassium channels","
Interleukin-12 family signaling","Potential therapeutics for SARS","cGMP effects","RUNX3 Regulates Immune Response and Cell Migration","Mitotic Anaphase",Xenobiotics,"Anti-inflammatory response favour
ing Leishmania parasite infection","Biosynthesis of maresins","SUMOylation of intracellular receptors","Interleukin-12 signaling","Nuclear Envelope (NE) Reassembly","CYP2E1 reactions","ADORA2B mediate
d anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Gene and protein expression by JAK-STAT signaling afte
r Interleukin-12 stimulation","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ATP1A1,CA1,CA2,KCNJ11,KCNJ8,KCNMA1,SLC12A3}

> <broad_moa>
{"potassium channel activator"}

> <synonyms>
{364-98-7,364987,Proglycem,Eudemine,Hyperstat,Hypertonalum,Proglicem,Dizoxide,Mutabase,"7-Chloro-3-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide","7Chloro3methyl2H1,2,4benzothiadiazine 1,1dioxide",Diaz
ossido,"Sch 6783",Sch-6783,Sch6783,Diazoxido,Diazoxidum,"SRG 95213",SRG-95213,SRG95213,C8H7ClN2O2S,2H-1,2H1,2,4-Be,4Be,SAM001246872,2300206,Prestw-87,CPD000058392,DIAZOXIDE,Diazoxide}

> <pdid>
PD000067

> <targets>
{Autophagy,Potassium Channel}

> <classes>
{antihypertensive,diuretic,activates K channels and AMPA receptors,Autophagy,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{3019}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 35  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.8256    0.9670    0.0000 O   0  0
   -3.1375    2.4342    0.0000 C   0  0  1  0  0  0
   -4.2511    3.4361    0.0000 C   0  0
   -3.6410    4.8064    0.0000 C   0  0
   -4.2392    6.1763    0.0000 C   0  0
   -5.7305    6.3383    0.0000 C   0  0
   -6.3358    7.7107    0.0000 C   0  0
   -5.4499    8.9212    0.0000 C   0  0  1  0  0  0
   -6.0552   10.2936    0.0000 C   0  0
   -5.1693   11.5040    0.0000 C   0  0  1  0  0  0
   -5.7746   12.8765    0.0000 O   0  0
   -3.6781   11.3421    0.0000 C   0  0
   -3.0727    9.9696    0.0000 C   0  0
   -3.9586    8.7592    0.0000 C   0  0  1  0  0  0
   -2.4674    8.5972    0.0000 C   0  0
   -3.3533    7.3867    0.0000 C   0  0
   -1.8621    7.2247    0.0000 C   0  0
   -1.2567    5.8523    0.0000 C   0  0
   -2.1493    4.6496    0.0000 C   0  0  1  0  0  0
   -0.6837    4.3300    0.0000 C   0  0
   -1.8384    3.1842    0.0000 C   0  0  1  0  0  0
   -0.7237    2.1806    0.0000 C   0  0  2  0  0  0
    0.7376    2.5192    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  9  8  1  1
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 15 14  1  1
 15 16  1  0
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 15  1  0
 21 22  1  1
 21 23  1  0
 23 12  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 11  1  0
 26 27  1  1
 28 26  1  1
 28  9  1  0
 28 29  1  0
 29  5  1  0
 29 30  1  6
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15632

> <plate>
PLATE 005

> <well>
B8

> <supplier_cmpd_name>
Sarsasapogenin

> <ctcr_id>
4132

> <supplier_cmpd_id>
T2733

> <smiles>
C[C@@H]1CC[C@@]2(OC1)O[C@H]3CC4C5CC[C@H]6C[C@@H](O)CC[C@]6(C)C5CC[C@]4(C)[C@H]3[C@@H]2C

> <pd_targets>
{SLCO1B1,SLCO1B3}

> <pathway_gtopdb>
{Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC21/SLCO family of organic anion transporting polypeptides"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLCO family of organic anion transporting polypeptides"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Metabolism of steroids","Bile acid and bile salt metabolism","Recycling of bile acids and salts"}

> <broad_targets>
{}

> <broad_moa>
{"neurotrophic agent"}

> <synonyms>
{Spectrum_000778,Spectrum000778,Spectrum-000778,"Spectrum 000778",SpecPlus_000243,SpecPlus000243,SpecPlus-000243,"SpecPlus 000243",Spectrum2_000277,Spectrum2000277,Spectrum2-000277,"Spectrum2 000277",
Spectrum3_000071,Spectrum3000071,Spectrum3-000071,"Spectrum3 000071",Spectrum4_001353,Spectrum4001353,Spectrum4-001353,"Spectrum4 001353",Spectrum5_000285,Spectrum5000285,Spectrum5-000285,"Spectrum5 0
00285",BSPBio_001881,BSPBio001881,BSPBio-001881,"BSPBio 001881",KBioGR_001905,KBioGR001905,KBioGR-001905,"KBioGR 001905",KBioSS_001258,KBioSS001258,KBioSS-001258,"KBioSS 001258",SPECTRUM100315,DivK1c_
006339,DivK1c006339,DivK1c-006339,"DivK1c 006339",SPBio_000154,SPBio000154,SPBio-000154,"SPBio 000154",KBio1_001283,KBio1001283,KBio1-001283,"KBio1 001283",KBio2_001258,KBio2001258,KBio2-001258,"KBio2
 001258",KBio2_003826,KBio2003826,KBio2-003826,"KBio2 003826",KBio2_006394,KBio2006394,KBio2-006394,"KBio2 006394",KBio3_001,KBio3001,KBio3-001,"KBio3 001",T2733,T3S0895,100315,Sarsasapogenin,Spirosta
n-3-ol,TIGOGENIN}

> <pdid>
PD000431

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6708615}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
   -5.0019    0.8454    0.0000 C   0  0
   -3.5348    0.5331    0.0000 N   0  0
   -2.5311    1.6478    0.0000 C   0  0
   -3.0705   -0.8941    0.0000 C   0  0
   -1.6026   -1.2066    0.0000 C   0  0
   -1.1384   -2.6339    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 O   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    0.0000    4.5008    0.0000 N   0  0
    0.7935   -4.3741    0.0000 C   0  0
   -0.1925   -5.5045    0.0000 C   0  0
    0.2934   -6.9236    0.0000 C   0  0
    1.7654   -7.2123    0.0000 C   0  0
    2.2513   -8.6314    0.0000 F   0  0
    2.7514   -6.0819    0.0000 C   0  0
    2.2654   -4.6628    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  7  1  0
 15 10  1  0
 12 16  1  0
 16 17  3  0
  7 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 18  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15633

> <plate>
PLATE 005

> <well>
B9

> <supplier_cmpd_name>
Citalopram HBr

> <ctcr_id>
6039

> <supplier_cmpd_id>
T1483

> <smiles>
CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

> <pd_targets>
{SLC6A2,SLC6A4,NET,ADRA1A,ADRA1B,KCNH2,SLC6A3,NPC1,HTR1A,ALDH1A1,MAPK1,BLM,PMP22,NPSR1,SLC22A1,HRH1,HTR2C,HTR2B,SIGMAR1,ADRA1D,CACNA1C,LMNA,RORC,ALOX15,CHRM1,CYP3A4,CYP2C9,CYP2D6,CYP2C19,NFKB1,HTR2A,A
DRA2A,ADRA2B,ADRA2C,DRD2}

> <pathway_gtopdb>
{Transporter,"Membrane receptor","Ion channel",Enzyme,"Unclassified protein","Electrochemical transporter","Family A G protein-coupled receptor","Voltage-gated ion channel",Oxidoreductase,Kinase,"SLC 
superfamily of solute carriers","Small molecule receptor (family A GPCR)","Potassium channels","Protein Kinase","Peptide receptor (family A GPCR)","Voltage-gated calcium channel","SLC06 neurotransmitt
er transporter family","Monoamine receptor","Voltage-gated potassium channel","CMGC protein kinase group","Short peptide receptor (family A GPCR)","SLC22 family of organic cation and anion transporter
s","Adrenergic receptor","Serotonin receptor","CMGC protein kinase MAPK family","Neuropeptide receptor","Histamine receptor","CMGC protein kinase ERK1","Other nuclear protein","Transcription factor","
Other cytosolic protein","Nuclear receptor","Cytochrome P450","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1 group F
","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Nuclear hormone receptor subfamily 1 group F member 3","Acetylcholine receptor","Cytochrome P450 3A4","Cytochrome
 P450 2C9","Cytochrome P450 2D6","Cytochrome P450 2C19","Dopamine receptor"}

> <pathway_chembl>
{Transporters,Receptors,"Ion channels",Enzymes,"Other protein targets","SLC superfamily of solute carriers","G protein-coupled receptors","Voltage-gated ion channels","Kinases (EC 2.7.x.x)","Sigma rec
eptors","SLC6 neurotransmitter transporter family",Adrenoceptors,"Potassium channels","SLC65 NPC-type cholesterol transporters","5-Hydroxytryptamine receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK fa
milies","Neuropeptide S receptor","SLC22 family of organic cation and anion transporters","Histamine receptors","Voltage-gated calcium channels","Monoamine transporter subfamily","Voltage-gated potass
ium channels","Mitogen-activated protein kinases (MAP kinases)","Organic cation transporters (OCT)","ERK subfamily","Nuclear hormone receptors","Eicosanoid turnover","Cytochrome P450","1F. Retinoic ac
id-related orphans",Lipoxygenases,"Acetylcholine receptors (muscarinic)","CYP3 family","CYP2 family: drug metabolising subset","Dopamine receptors"}

> <pathway_reactome>
{"Neuronal System","Signal Transduction","Muscle contraction",Disease,"Transport of small molecules",Metabolism,"Immune System","DNA Repair","Developmental Biology","Transmission across Chemical Synap
ses","Signaling by GPCR","Cardiac conduction","Disorders of transmembrane transporters","Plasma lipoprotein assembly",remodeling,"and clearance","Biological oxidations","Innate Immune System","DNA Dou
ble-Strand Break Repair","Nervous system development","Infectious disease","SLC-mediated transmembrane transport","Neurotransmitter clearance","GPCR ligand binding","Phase 3 - rapid repolarisation","S
LC transporter disorders","Plasma lipoprotein clearance","Phase I - Functionalization of compounds","Toll-like Receptor Cascades","Homology Directed Repair","EGR2 and SOX10-mediated initiation of Schw
ann cell myelination","Leishmania infection","Transport of bile salts and organic acids","metal ions and amine compounds","SARS-CoV Infections","Axon guidance","Serotonin clearance from the synaptic c
left","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","LDL clearance","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","HDR through Ho
mologous Recombination (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","Organic cation/anion/zwitterion transport","Potential therapeutics for SARS","Defective SLC6A2
 causes orthostatic intolerance (OI)","NCAM signaling for neurite out-growth","Amine ligand-binding receptors","MyD88 cascade initiated on plasma membrane","HDR through Homologous Recombination (HRR)"
,"Anti-inflammatory response favouring Leishmania parasite infection","Organic cation transport","NCAM1 interactions",Adrenoceptors,"Serotonin receptors","MAP kinase activation","Homologous DNA Pairin
g and Strand Exchange","ADORA2B mediated anti-inflammatory cytokines production","Histamine receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairi
ng and strand exchange","ERK/MAPK targets","ERKs are inactivated","Cell Cycle","Gene expression (Transcription)",Mitotic,"RNA Polymerase II Transcription","Metabolism of lipids","Cytokine Signaling in
 Immune system","M Phase","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by Interleukins","Mitotic Metaphase and Anaphase","Transcriptional regu
lation by RUNX3","Biosynthesis of DPA-derived SPMs","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Interleukin-1 family signaling","Mitotic Anaphase","RUNX3 Regulat
es Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Biosynthesis of maresins",Xenobiotics,"Interleukin-1 signaling","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived
 protectins and resolvins","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Dopamine receptors","Initiation of 
Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SLC6A4}

> <broad_moa>
{"selective serotonin reuptake inhibitor (SSRI)"}

> <synonyms>
{citalopram,59729-33-8,59729338,Nitalapram,Celexa,Cipram,Bonitrile,(3H)Citalopram,"Lu 10-171","Lu 10171",Lu-10-171,Lu10171,CHEMBL549,CHEBI:77397,1-(3-(Dimethylamino)propyl)-1-(p-fluorophenyl)-5-phthal
ancarbonitrile,1(3(Dimethylamino)propyl)1(pfluorophenyl)5phthalancarbonitrile,"Nitalapram HBr",(3H)-Citalopram,"Citalopramum (INN-Latin)","Citalopramum (INNLatin)",T1483,SAM002589960,1504172,"Citalopr
am HBr",CPD000465669,CITALOPRAM}

> <pdid>
PD000475

> <targets>
{}

> <classes>
{antidepressant,"5HT reuptake inhibitor"}

> <pubchem_cids>
{2771}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 39 42  0  0  1  0            999 V2000
    6.3990   -6.3774    0.0000 Cl  0  0
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 O   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -5.1961   -7.5000    0.0000 C   0  0  2  0  0  0
   -6.4764   -6.7185    0.0000 O   0  0
   -3.8971   -8.2500    0.0000 C   0  0
   -2.5980   -7.5000    0.0000 C   0  0  2  0  0  0
   -1.2998   -8.2531    0.0000 O   0  0
   -1.3019   -9.7539    0.0000 C   0  0
   -0.0055  -10.5085    0.0000 C   0  0
   -0.0107  -12.0085    0.0000 C   0  0
    1.2858  -12.7630    0.0000 N   0  0
   -1.3123  -12.7540    0.0000 C   0  0
   -1.3175  -14.2540    0.0000 O   0  0
   -2.6087  -11.9995    0.0000 C   0  0
   -3.9104  -12.7450    0.0000 C   0  0
   -2.6036  -10.4995    0.0000 O   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1596   -8.9800    0.0000 C   0  0
   -6.4587   -9.7299    0.0000 C   0  0
   -3.8609   -9.7306    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 21  1  0
 19 30  1  0
 30 14  2  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 33 11  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36  4  1  0
 36  8  2  0
 16 37  1  0
 37 38  1  0
 37 39  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15634

> <plate>
PLATE 005

> <well>
B10

> <supplier_cmpd_name>
Daunorubicin hydrochloride

> <ctcr_id>
1690

> <supplier_cmpd_id>
T1511

> <smiles>
Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(C)=O

> <pd_targets>
{HIF1A,MAPT,RORC,BLM,FTL,ALD,KMT2A,MEN1,HSP90AA1,HSP90AB1,RECQL,USP2,TSHR,MAPK1,NPSR1,FFP,S100A4,BRCA1,POLB,THRB,CYP3A4,LEF,MMP2,NR5A1,ALDH1A1,TP53,CYP1A2,KDM4E,HTT,HSD17B10,APEX1,ABCC1,FPR2,PAX8,ABCB
1,ABCC2,TOP2A,TOP2B}

> <pathway_gtopdb>
{"Unclassified protein","Transcription factor","Other cytosolic protein",Enzyme,"Epigenetic regulator","Membrane receptor",Transporter,"Nuclear receptor",Reader,Protease,"Family A G protein-coupled re
ceptor",Kinase,Transferase,"Cytochrome P450",Oxidoreductase,Eraser,"Primary active transporter",Isomerase,"Nuclear hormone receptor subfamily 1",Bromodomain,"Cysteine protease","Peptide receptor (fami
ly A GPCR)","Protein Kinase","Cytochrome P450 family 3","Metallo protease","Nuclear hormone receptor subfamily 5","Cytochrome P450 family 1","Lysine demethylase","ATP-binding cassette","Nuclear hormon
e receptor subfamily 1 group F","Cysteine protease CA clan","Glycohormone receptor","CMGC protein kinase group","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group A",
"Cytochrome P450 family 3A","Metallo protease MAE clan","Metallo protease MAM clan","Nuclear hormone receptor subfamily 5 group A","Cytochrome P450 family 1A","Jumonji domain-containing","ABCC subfami
ly","N-formyl methionyl peptide receptor","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F member 3","Cysteine protease C19 family","CMGC protein kinase MAPK family","Neuropeptide recept
or","Nuclear hormone receptor subfamily 1 group A member 2","Cytochrome P450 3A4","Metallo protease M34 family","Metallo protease M10A subfamily","Nuclear hormone receptor subfamily 5 group A member 1
","Cytochrome P450 1A1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"Nuclear hormone receptors","Chromatin modifying enzymes","Peptidases and proteinases","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Cyt
ochrome P450","Heat shock proteins","ATP-binding cassette transporter family","DNA topoisomerases","1F. Retinoic acid-related orphans","2.1.1.43 Histone methyltransferases (HMTs)","CA: Cysteine (C) Pe
ptidases","Glycoprotein hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Neuropeptide S receptor","1A. Thyroid hormone receptors","CYP3 family","MA: Metallo (M) Peptidases","5A. Fus
hi tarazu F1-like receptors","CYP1 family","1.14.11.- Histone demethylases","ABCC subfamily","Formylpeptide receptors","ABCB subfamily","C19: Ubiquitin-specific protease","Mitogen-activated protein ki
nases (MAP kinases)","M10: Matrix metallopeptidase","ERK subfamily"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Neuronal System","Gene expression (Transcription)","DNA Repair","Vesicle-mediated transport",Disease,"Immune System","Metabolism of proteins",Metabolism,"Dev
elopmental Biology","Cell Cycle","Signal Transduction","Cellular responses to stress","Transmission across Chemical Synapses","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Membra
ne Trafficking","Infectious disease","Innate Immune System","Base Excision Repair","Post-translational protein modification","Metabolism of lipids","Nervous system development",Mitotic,"Biological oxi
dations","Cell Cycle Checkpoints","Metabolism of amino acids and derivatives","Signaling by GPCR","Abacavir transport and metabolism","Disorders of transmembrane transporters","Cellular response to hy
poxia","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Homology Directed Repair","trans-Golgi Network Vesicle Budding","Leishmania infection","Toll-l
ike Receptor Cascades","Resolution of Abasic Sites (AP sites)",SUMOylation,"Biosynthesis of specialized proresolving mediators (SPMs)","Uptake and actions of bacterial toxins","Axon guidance","Mitotic
 G2-G2/M phases","Phase I - Functionalization of compounds","G1/S DNA Damage Checkpoints","Branched-chain amino acid catabolism","Fatty acid metabolism","GPCR ligand binding","Abacavir transmembrane t
ransport","ABC transporter disorders","Mitotic G1 phase and G1/S transition","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Activation of NMDA receptors and postsynaptic e
vents","Transcriptional regulation by RUNX3","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX1","
Transcriptional Regulation by TP53","Leishmania parasite growth and survival","Toll Like Receptor 5 (TLR5) Cascade","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","SUMO
 E3 ligases SUMOylate target proteins","Biosynthesis of DHA-derived SPMs","Uptake and function of anthrax toxins","EPH-Ephrin signaling","G2/M Transition","Ethanol oxidation","p53-Dependent G1/S DNA d
amage checkpoint","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by MECP2","Arachidonic acid metabolism","Class A/1 (Rhodopsin-like receptors)","Defective ABCC2 causes DJS"
,"G0 and Early G1","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","HDR through Homologous Recombination (HRR)","RUNX1 regulates genes involved in megakaryo
cyte differentiation and platelet function","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishmania parasite infection","MyD88 cascade initiated on plasma membrane","PCNA-Depend
ent Long Patch Base Excision Repair","SUMOylation of intracellular receptors","Biosynthesis of maresins","EPH-ephrin mediated repulsion of cells","Centrosome maturation","p53-Dependent G1 DNA Damage R
esponse",Xenobiotics,"Regulation of MECP2 expression and activity","Synthesis of Leukotrienes (LT) and Eoxins (EX)","Peptide ligand-binding receptors","Transcription of E2F targets under negative cont
rol by DREAM complex","SUMOylation of DNA replication proteins","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Expression and Degradation","
ADORA2B mediated anti-inflammatory cytokines production","MAP kinase activation","Biosynthesis of maresin-like SPMs","Loss of proteins required for interphase microtubule organization from the centros
ome","Stabilization of p53","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Formyl peptide receptors bind formyl peptides and many other ligands","Presynaptic phase of homologous D
NA pairing and strand exchange","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Loss of Nlp from mitotic centrosomes","Autodegradation of the E3 ubiquitin liga
se COP1","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{TOP2A,TOP2B}

> <broad_moa>
{"RNA synthesis inhibitor","topoisomerase inhibitor"}

> <synonyms>
{"DAUNORUBICIN HYDROCHLORIDE",Daunoblastin,Ondena,"Antibiotics from Streptomyces coeruleorubidus","DAUNORUBICIN HCL","Rubidomycin hydrochloride","Daunomycin, hydrochloride","Daunomycin, HCl",NSC83142,
Daunorubicin,Hydrochlorid,82151,NSC82151,"NSC 82151
NSC 82151","Daunorubicin hydrochloride"}

> <pdid>
PD003035

> <targets>
{}

> <classes>
{"Topoisomerase II Inhibitors"}

> <pubchem_cids>
{3085106,58899167,5351602,68601330}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
   -1.8114   -5.1333    0.0000 C   0  0
   -2.2130   -3.6880    0.0000 C   0  0
   -3.6655   -3.3136    0.0000 O   0  0
   -1.1612   -2.6174    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    3.8971    3.7500    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.7499   -4.3804    0.0000 C   0  0
   -0.2673   -5.4828    0.0000 C   0  0
    2.2131   -4.7105    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  1
 10 11  2  3
 11 12  1  0
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 13  1  0
 19 20  1  6
 19 21  1  0
 21  9  1  0
 21 22  1  6
 22 23  1  0
 23 24  1  0
 24  5  1  0
 24  8  1  0
 24 25  1  6
  5 26  1  0
 26 27  1  0
 26 28  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15635

> <plate>
PLATE 005

> <well>
B11

> <supplier_cmpd_name>
Megestrol acetate

> <ctcr_id>
5247

> <supplier_cmpd_id>
T1284

> <smiles>
CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O

> <pd_targets>
{POLB,AR,HIF1A,NPSR1,PGR,LMNA,NR3C1,ABCB11,CYP2C9}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Membrane receptor","Other nuclear protein",Transporter,Protease,"Nuclear receptor","Family A G protein-coupled receptor","Primary active transporter","Cytochrome P450",
"Cysteine protease","Nuclear hormone receptor subfamily 3","Peptide receptor (family A GPCR)","ATP-binding cassette","Cytochrome P450 family 2","Cysteine protease CA clan","Nuclear hormone receptor su
bfamily 3 group C","Short peptide receptor (family A GPCR)","ABCB subfamily","Cytochrome P450 family 2C","Cysteine protease C1A family","Nuclear hormone receptor subfamily 3 group C member 4","Neurope
ptide receptor","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group C member 1","Cytochrome P450 2C9"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Nuclear hormone receptors","G protein-coupled receptors","ATP-binding cassette transporter family","Cytochrome P450","Steroid hormone receptors","Neuropeptide S recept
or","ABCB subfamily","CYP2 family: drug metabolising subset","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"DNA Repair","Gene expression (Transcription)","Cellular responses to external stimuli",Disease,"Cell Cycle",Metabolism,"Metabolism of proteins","Base Excision Repair","RNA Polymerase II Transcriptio
n","Cellular responses to stress","Infectious disease",Mitotic,"Metabolism of lipids","Biological oxidations","Post-translational protein modification","Resolution of Abasic Sites (AP sites)","Generic
 Transcription Pathway","Cellular response to hypoxia","Leishmania infection","M Phase","Metabolism of steroids","Phase I - Functionalization of compounds",SUMOylation,"Resolution of AP sites via the 
multiple-nucleotide patch replacement pathway","Transcriptional regulation by RUNX2","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Leishmania parasite growth and survival
","Mitotic Metaphase and Anaphase","FOXO-mediated transcription","Bile acid and bile salt metabolism","Cytochrome P450 - arranged by substrate type","SUMO E3 ligases SUMOylate target proteins","PCNA-D
ependent Long Patch Base Excision Repair","RUNX2 regulates bone development","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","FOXO-mediated transcription of oxi
dative stress","metabolic and neuronal genes","Synthesis of bile acids and bile salts",Xenobiotics,"SUMOylation of intracellular receptors","RUNX2 regulates osteoblast differentiation","ADORA2B mediat
ed anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","CYP2E1 reactions","Initiation of Nuclear Envelope 
(NE) Reformation"}

> <broad_targets>
{NR3C1,PGR}

> <broad_moa>
{"progesterone receptor agonist"}

> <synonyms>
{"MEGESTROL ACETATE",595-33-5,595335,Megace,"Megace ES",Magestin,Niagestin,"Megestryl acetate",Megeron,Megestat,Ovaban,Ovarid,Maygace,Pallace,"BDH 1298","SC 10363",Megestrol-17-acetate,Megestrol17acet
ate,NSC-71423,NSC71423,Volidan,SC10363,UNII-TJ2M0FR8ES,UNIITJ2M0FR8ES,17alpha-Hydroxy-6-methylpregn,17alphaHydroxy6methylpregn,T1284,71423,S1304,SAM001246722,Prestw-956,"NSC 71423","Megestrol acetate"
,"Megestrol Acetate",CPD000058691}

> <pdid>
PD001872

> <targets>
{"Androgen Receptor"}

> <classes>
{"synthetic progestin","Endocrinology & Hormones"}

> <pubchem_cids>
{11683}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 62 68  0  0  1  0            999 V2000
    2.3479   -2.2342    0.0000 C   0  0
    1.3857   -1.0835    0.0000 C   0  0
    1.9017    0.3250    0.0000 O   0  0
   -0.0927   -1.3420    0.0000 O   0  0
   -1.0600   -2.4900    0.0000 C   0  0  1  0  0  0
    0.2100   -3.2200    0.0000 C   0  0
    0.2075   -4.7200    0.0000 O   0  0
    1.4900   -2.4900    0.0000 C   0  0  2  0  0  0
    1.4875   -3.9900    0.0000 C   0  0
    2.7600   -3.2200    0.0000 C   0  0  1  0  0  0
    2.7575   -4.7200    0.0000 O   0  0
    4.0400   -2.4900    0.0000 C   0  0
    4.0400   -1.0400    0.0000 C   0  0  1  0  0  0
    4.7600    0.2300    0.0000 O   0  0
    3.4900    0.9500    0.0000 C   0  0
    2.7600   -0.3100    0.0000 C   0  0  2  0  0  0
    3.9139    0.6592    0.0000 O   0  0
    3.6492    2.1365    0.0000 C   0  0
    2.2381    2.6452    0.0000 C   0  0
    4.7950    3.1046    0.0000 O   0  0
    1.4900   -1.0400    0.0000 C   0  0
    0.2100   -0.3100    0.0000 C   0  0  2  0  0  0
    0.2081    1.1912    0.0000 O   0  0
    1.5064    1.9441    0.0000 C   0  0
    2.8067    1.1962    0.0000 O   0  0
    1.5045    3.4449    0.0000 C   0  0
    2.8011    4.1993    0.0000 C   0  0
    2.7961    5.6993    0.0000 C   0  0
    1.4946    6.4450    0.0000 C   0  0
    0.1980    5.6907    0.0000 C   0  0
    0.2030    4.1907    0.0000 C   0  0
   -1.0600   -1.0400    0.0000 C   0  0  2  0  0  0
   -1.0600    0.4600    0.0000 O   0  0
   -2.3300   -0.3100    0.0000 C   0  0
   -3.6100   -1.0400    0.0000 C   0  0  2  0  0  0
   -4.9097   -0.2889    0.0000 O   0  0
   -4.9103    1.2119    0.0000 C   0  0
   -3.6112    1.9619    0.0000 O   0  0
   -6.2098    1.9627    0.0000 C   0  0  2  0  0  0
   -7.5088    1.2126    0.0000 O   0  0
   -6.2103    3.4635    0.0000 C   0  0  1  0  0  0
   -7.5099    4.2143    0.0000 N   0  0
   -7.5104    5.7151    0.0000 C   0  0
   -6.2114    6.4651    0.0000 O   0  0
   -8.8099    6.4659    0.0000 C   0  0
   -8.8126    7.9659    0.0000 C   0  0
  -10.1130    8.7137    0.0000 C   0  0
  -11.4107    7.9614    0.0000 C   0  0
  -11.4081    6.4614    0.0000 C   0  0
  -10.1077    5.7137    0.0000 C   0  0
   -4.9107    4.2139    0.0000 C   0  0
   -4.9085    5.7140    0.0000 C   0  0
   -3.6085    6.4623    0.0000 C   0  0
   -2.3105    5.7105    0.0000 C   0  0
   -2.3125    4.2105    0.0000 C   0  0
   -3.6125    3.4623    0.0000 C   0  0
   -3.6100   -2.4900    0.0000 C   0  0
   -2.3300   -3.2200    0.0000 C   0  0
   -2.0200    0.2800    0.0000 C   0  0
   -0.9882    1.3687    0.0000 C   0  0
   -3.4648    0.6831    0.0000 C   0  0
   -4.9070   -3.2434    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  6
 10 12  1  0
 13 12  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 13  1  0
 16 17  1  1
 17 18  1  0
 18 19  1  0
 18 20  2  0
 16 21  1  0
 21  8  1  0
 21 22  1  0
 22 23  1  1
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 22 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  0
 35 36  1  1
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  6
 39 41  1  0
 41 42  1  1
 42 43  1  0
 43 44  2  0
 43 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  2  0
 50 45  1  0
 41 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  2  0
 56 51  1  0
 35 57  1  0
 57 58  2  3
 58  5  1  0
 58 59  1  0
 59 32  1  0
 59 60  1  0
 59 61  1  0
 57 62  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15636

> <plate>
PLATE 005

> <well>
C2

> <supplier_cmpd_name>
Paclitaxel

> <ctcr_id>
4999

> <supplier_cmpd_id>
T0968

> <smiles>
CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C

> <pd_targets>
{KMT2A,MEN1,LMNA,ITGAV,ITGB3,TUBB2B,RORC,FFP,SLCO1B3,SLCO1B1,MAPT,CYP3A4,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,PMP22,AMPC,THPO,NPSR1,BLM,ABCB11,TH
RB,HIF1A,MERTK,GROES,GROL,LEF,GMNN,CYP2C9,CCKAR,BOTA,RECQL,TUBB5,NR1I2,CYP1A2,MC5R,ERBB2,OPRD1,TACR2,MTOR,FYN,ABCB1,NOD2,TLR4,BCL2}

> <pathway_gtopdb>
{"Epigenetic regulator","Other nuclear protein","Membrane receptor","Structural protein",Enzyme,"Transcription factor",Transporter,"Other cytosolic protein","Unclassified protein","Ion channel",Reader
,Protease,"Nuclear receptor",Transferase,"Electrochemical transporter","Cytochrome P450",Hydrolase,"Family A G protein-coupled receptor","Primary active transporter",Kinase,"Other ion channel",Bromodo
main,"Cysteine protease","Nuclear hormone receptor subfamily 1","SLC superfamily of solute carriers","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","ATP-binding cassette","Protein Kinas
e","Metallo protease","Cytochrome P450 family 2","Cytochrome P450 family 1","Miscellaneous ion channel","Cysteine protease CA clan","Nuclear hormone receptor subfamily 1 group F","SLC21/SLCO family of
 organic anion transporting polypeptides","Cytochrome P450 family 3A","Short peptide receptor (family A GPCR)","ABCB subfamily","Nuclear hormone receptor subfamily 1 group A","TK protein kinase group"
,"Metallo protease MAE clan","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group I","Cytochrome P450 family 1A","Atypical protein kinase group","Bcl-2 family","Cysteine protease C1
A family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group A member 2","Tyrosine protein kinase Axl fam
ily","Metallo protease M34 family","Cytochrome P450 2C9","Cholecystokinin receptor","Metallo protease M27 family","Nuclear hormone receptor subfamily 1 group I member 2","Cytochrome P450 1A1","Melanoc
ortin receptor","Tyrosine protein kinase EGFR family","Opioid receptor","Neurokinin receptor","Atypical protein kinase PIKK family","Tyrosine protein kinase Src family","Atypical protein kinase FRAP s
ubfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Other protein targets","Catalytic receptors","Nuclear hormone receptors","SLC superfamily of solute carriers","Cytochrome P450","G protein-coupled receptors","ATP-bind
ing cassette transporter family",Tubulins,"Kinases (EC 2.7.x.x)","B-cell lymphoma 2 (Bcl-2) protein family",Integrins,"1F. Retinoic acid-related orphans","SLCO family of organic anion transporting pol
ypeptides","CYP3 family","Neuropeptide S receptor","ABCB subfamily","1A. Thyroid hormone receptors","Receptor kinases","CYP2 family: drug metabolising subset","Cholecystokinin receptors","1I. Vitamin 
D receptor-like receptors","CYP1 family","Melanocortin receptors","Opioid receptors","Tachykinin receptors",Atypical,"Pattern recognition receptors","TK: Tyrosine kinase","Phosphatidyl inositol 3' kin
ase-related kinases (PIKK) family","NOD-like receptor family","Toll-like receptor family","Receptor tyrosine kinases (RTKs)","FRAP subfamily","Non-receptor tyrosine kinases (nRTKs)","Type XI RTKs: TAM
 (TYRO3-","AXL- and MER-TK) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Metabolism,"Neuronal System","Developmental Biology",Hemostasis,Disease,"DNA Repair","Metabolism of proteins","Cellular responses to external stimuli","
Signal Transduction","Immune System",Mitotic,"RNA Polymerase II Transcription","Metabolism of lipids","Transmission across Chemical Synapses","Nervous system development","Platelet activation","signal
ing and aggregation","Infectious disease","DNA Double-Strand Break Repair","Post-translational protein modification","Cellular responses to stress","Cell surface interactions at the vascular wall","Bi
ological oxidations","Signaling by GPCR","Abacavir transport and metabolism","Innate Immune System","M Phase","Generic Transcription Pathway","Metabolism of steroids","Neurotransmitter receptors and p
ostsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Platelet Aggregation (Plug Formation)","L
eishmania infection","Homology Directed Repair",SUMOylation,"Cellular response to hypoxia","Uptake and actions of bacterial toxins","Mitotic G1 phase and G1/S transition","Phase I - Functionalization 
of compounds","GPCR ligand binding","Mitotic G2-G2/M phases","Axon guidance","HIV Infection","Abacavir transmembrane transport","Toll-like Receptor Cascades","Nucleotide-binding domain","leucine rich 
repeat containing receptor (NLR) signaling pathways","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX3","Bile acid and bile salt metabolism","Activation of NMDA receptors and posts
ynaptic events","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","SUMO E3 ligases SUMOylate ta
rget proteins","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Uptake and function of anthrax toxins","G1/S Transition","Cytochrome P450 - arranged by substrate type","Clas
s A/1 (Rhodopsin-like receptors)","Neurotoxicity of clostridium toxins","G2/M Transition","Semaphorin interactions","Transcriptional Regulation by TP53","Host Interactions of HIV factors","Toll Like R
eceptor 5 (TLR5) Cascade","Toll Like Receptor 4 (TLR4) Cascade",Inflammasomes,"Mitotic Anaphase","RUNX3 Regulates Immune Response and Cell Migration","Recycling of bile acids and salts","Post NMDA rec
eptor activation events","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","HDR through Homologous Recombination (HRR)","Synthesis of bile acids and bile 
salts","SUMOylation of intracellular receptors","Activation of the pre-replicative complex",Xenobiotics,"Peptide ligand-binding receptors","Toxicity of botulinum toxin type A (botA)","Centrosome matur
ation","Sema4D in semaphorin signaling","Regulation of TP53 Activity","The role of Nef in HIV-1 replication and disease pathogenesis","MyD88 cascade initiated on plasma membrane","MyD88-independent TL
R4 cascade","The NLRP1 inflammasome","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines prod
uction","Homologous DNA Pairing and Strand Exchange","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","CYP2E1 reactions","Loss of proteins required for interphase microtubule org
anization from the centrosome","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Sema4D induced cell migration and growth-cone collapse","Tachykinin receptors bind tachykinins","Regu
lation of TP53 Expression and Degradation","Nef and signal transduction","MAP kinase activation","TRIF(TICAM1)-mediated TLR4 signaling","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic p
hase of homologous DNA pairing and strand exchange","Loss of Nlp from mitotic centrosomes","Sealing of the nuclear envelope (NE) by ESCRT-III","Regulation of TP53 Degradation","activated TAK1 mediates
 p38 MAPK activation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon"}

> <broad_targets>
{BCL2,MAP2,MAP4,MAPT,NR1I2,TLR4,TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3D,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{SBI-0051168.P003,SBI0051168.P003,AB0008536,EU-0101201,EU0101201,P1632,C07394,paclitaxel,33069-62-4,33069624,C47H51NO14,"Paclitaxel - Taxol","Paclitaxel  Taxol",S1150_Selleck,S1150Selleck,S1150-Sellec
k,"S1150 Selleck",Spectrum_001536,Spectrum001536,Spectrum-001536,"Spectrum 001536",Spectrum2_000872,Spectrum2000872,Spectrum2-000872,"Spectrum2 000872",Spectrum3_001057,Spectrum3001057,Spectrum3-00105
7,"Spectrum3 001057",Spectrum4_001197,Spectrum4001197,Spectrum4-001197,"Spectrum4 001197",Spectrum5_001491,Spectrum5001491,Spectrum5-001491,"Spectrum5 001491",Probes2_000350,Probes2000350,Probes2-0003
50,"Probes2 000350",Lopac0_001201,Lopac0001201,Lopac0-001201,"Lopac0 001201",BSPBio_00115,BSPBio00115,BSPBio-00115,"BSPBio 00115",T3S2372,T0968,1503908,7-Epitaxol,Paclitaxel,PACLITAXEL}

> <pdid>
PD000814

> <targets>
{}

> <classes>
{antineoplastic}

> <pubchem_cids>
{441276}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 26  0  0  1  0            999 V2000
    1.8382   -3.3930    0.0000 C   0  0
    0.6225   -2.5143    0.0000 C   0  0
   -0.7461   -3.1283    0.0000 C   0  0
    0.5206   -3.5091    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
    2.2391   -0.8519    0.0000 O   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -0.4927    2.6828    0.0000 O   0  0
   -1.9927    2.6681    0.0000 C   0  0
   -2.8862    3.8730    0.0000 O   0  0
   -2.4422    1.2371    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0  1  0  0  0
    0.5147    0.6584    0.0000 C   0  0
    1.1313    2.0258    0.0000 O   0  0
    1.3266   -0.6029    0.0000 O   0  0
    0.3854   -2.0725    0.0000 C   0  0
   -0.1886   -3.4583    0.0000 O   0  0
   -1.6840   -3.3406    0.0000 C   0  0
   -2.6582   -4.4812    0.0000 O   0  0
   -2.0342   -1.8821    0.0000 C   0  0
   -3.4297   -1.3322    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 13 12  1  6
 13  8  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23  5  1  0
 23 13  1  0
 23 17  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15637

> <plate>
PLATE 005

> <well>
C3

> <supplier_cmpd_name>
Bilobalide

> <ctcr_id>
7825

> <supplier_cmpd_id>
T2808

> <smiles>
CC(C)(C)[C@@]1(O)CC2OC(=O)C[C@@]23C(=O)OC4OC(=O)C(O)C134

> <pd_targets>
{KMT2A,MEN1,THRB,ALOX15,HTR3A,GLRB,GLRA2,GLRA1,HTR3B}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor",Enzyme,"Ion channel",Reader,"Nuclear receptor",Oxidoreductase,"Ligand-gated ion channel",Bromodomain,"Nuclear hormone receptor subfamily 1","Glycine rece
ptor","5HT3 receptor","Nuclear hormone receptor subfamily 1 group A","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Nuclear hormone receptors","Eicosanoid turnover","Ligand-gated ion channels","1A. Thyroid hormone receptors",Lipoxygenases,"5-HT<sub>3</sub> receptors","Glycine rece
ptors"}

> <pathway_reactome>
{"Metabolism of proteins",Metabolism,"Neuronal System","Post-translational protein modification","Metabolism of lipids","Transmission across Chemical Synapses",SUMOylation,"Biosynthesis of specialized
 proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","SUMO E3 ligases SUMOylate target proteins","Biosynthesis of DPA-derived SPMs","SUMOylation of intrace
llular receptors","Biosynthesis of DPAn-3 SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins"}

> <broad_targets>
{GLRA1,GLRA2,GLRB,HTR3A,HTR3B}

> <broad_moa>
{"GABA receptor modulator"}

> <synonyms>
{W220275,SW220275-1,SW2202751,BRD-A35837007-001-01-2,BRDA35837007001012,S2276,Bilobalide}

> <pdid>
PD012307

> <targets>
{Apoptosis,Autophagy,Endogenous Metabolite}

> <classes>
{Apoptosis,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{129010088}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 42 48  0  0  1  0            999 V2000
    2.6018   -5.9994    0.0000 C   0  0
    3.9008   -5.2492    0.0000 O   0  0
    3.9014   -3.7484    0.0000 C   0  0
    2.6012   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8967   -0.7484    0.0000 C   0  0
    5.1969   -1.4963    0.0000 C   0  0
    6.4939   -0.7411    0.0000 O   0  0
    6.4894    0.7589    0.0000 C   0  0
    5.1993   -2.9963    0.0000 C   0  0
    6.4995   -3.7442    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.3114    2.9665    0.0000 C   0  0
    1.8032    3.1233    0.0000 O   0  0
    2.4133    1.7530    0.0000 C   0  0
    3.8805    1.4410    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -1.2935    3.7495    0.0000 O   0  0
   -1.2883    5.2495    0.0000 C   0  0
    0.0133    5.9950    0.0000 C   0  0
    0.0185    7.4950    0.0000 O   0  0
   -1.2780    8.2495    0.0000 C   0  0
   -1.2728    9.7495    0.0000 C   0  0
   -2.5796    7.5040    0.0000 O   0  0
   -2.5848    6.0040    0.0000 C   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -5.1828    6.0129    0.0000 O   0  0
   -3.8915    3.7585    0.0000 C   0  0
   -5.1932    3.0130    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.7124   -4.0030    0.0000 O   0  0
   -3.1022   -5.3733    0.0000 C   0  0
   -1.6105   -5.2165    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10  3  1  0
 10 11  1  0
 12  5  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  1
 15 16  1  0
 16 17  1  0
 13 17  1  6
 17 18  2  0
 14 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 23  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 21  1  0
 32 33  1  0
 19 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 36  2  0
 40 41  1  0
 41 42  2  0
 42 12  1  0
 42 34  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15638

> <plate>
PLATE 005

> <well>
C4

> <supplier_cmpd_name>
Etoposide

> <ctcr_id>
4351

> <supplier_cmpd_id>
T0132

> <smiles>
COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](OC4OC5COC(C)OC5C(O)C4O)c6cc7OCOc7cc26

> <pd_targets>
{TOP2A,ALOX15,TOP2B,SLCO1B3,NCOA1,LMP1,NCOA3,BLM,LMNA,GAA,RECQL,PMP22,POLB,GMNN,APEX1,NPSR1,NFO,MTOR,KMT2A,MEN1,RORC}

> <pathway_gtopdb>
{Enzyme,Transporter,"Epigenetic regulator","Unclassified protein","Other nuclear protein","Membrane receptor","Transcription factor",Isomerase,Oxidoreductase,"Electrochemical transporter",Writer,Hydro
lase,"Family A G protein-coupled receptor",Kinase,Reader,"Nuclear receptor","SLC superfamily of solute carriers","Histone acetyltransferase","Peptide receptor (family A GPCR)","Protein Kinase",Bromodo
main,"Nuclear hormone receptor subfamily 1","SLC21/SLCO family of organic anion transporting polypeptides","SRC family","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Nuclea
r hormone receptor subfamily 1 group F","Neuropeptide receptor","Atypical protein kinase PIKK family","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"DNA topoisomerases","Eicosanoid turnover","SLC superfamily of solute carriers","Chromatin modifying enzymes","3.2.1.- Glycosidases","G protein-coupled receptors","Kina
ses (EC 2.7.x.x)","Nuclear hormone receptors",Lipoxygenases,"SLCO family of organic anion transporting polypeptides","2.3.1.48 Histone acetyltransferases (HATs)","Neuropeptide S receptor",Atypical,"1F
. Retinoic acid-related orphans","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Metabolism of proteins","DNA Repair",Disease,"Developmental Biology","Gene expression (Transcription)",Mitotic,"Metabolism of lipids","Post-translational protein modification
","DNA Double-Strand Break Repair","Diseases of metabolism","Nervous system development","Base Excision Repair","Infectious disease","RNA Polymerase II Transcription","Mitotic G1 phase and G1/S transi
tion","Biosynthesis of specialized proresolving mediators (SPMs)",SUMOylation,"Metabolism of steroids","Regulation of lipid metabolism by PPARalpha","Homology Directed Repair","M Phase","Diseases of c
arbohydrate metabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Resolution of Abasic Sites (AP sites)","Leishmania infection","Generic Transcription Pathway","G0 and Early G1
","Biosynthesis of DPA-derived SPMs","SUMO E3 ligases SUMOylate target proteins","Bile acid and bile salt metabolism","PPARA activates gene expression","HDR through Homologous Recombination (HRR) or S
ingle Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Glycogen storage diseases","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","G1/S Transition","Leishmania 
parasite growth and survival","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX3","Transcription of E2F targets under negative control by DREAM complex","Biosynthesis of DPAn-3 
SPMs","SUMOylation of DNA replication proteins","Recycling of bile acids and salts","Synthesis of bile acids and bile salts","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Glycogen s
torage disease type II (GAA)","PCNA-Dependent Long Patch Base Excision Repair","Activation of the pre-replicative complex","Anti-inflammatory response favouring Leishmania parasite infection","Regulat
ion of TP53 Activity","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3-derived protectins and resolvins","Synthesis of bile acids and bile salts via 27-hydroxycholesterol",
"Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Presynaptic p
hase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{TOP2A,TOP2B}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{"Vepesid J","Epipodophyllotoxin VP-16213","Epipodophyllotoxin VP16213",VP-16,VP16,NSC141540,"Etopophos (Bristol Meyers)","4'-Demethylepipodophyllotoxin ethylidene-.beta.-D-glucoside","4'Demethylepipo
dophyllotoxin ethylidene.beta.Dglucoside",BSPBio_001067,BSPBio001067,BSPBio-001067,"BSPBio 001067",KBioGR_000407,KBioGR000407,KBioGR-000407,"KBioGR 000407",KBioSS_000407,KBioSS000407,KBioSS-000407,"KB
ioSS 000407",CHEMBL16671,SCHEMBL5020107,BCBcMAP01_000114,BCBcMAP01000114,BCBcMAP01-000114,"BCBcMAP01 000114",KBio2_0004,KBio20004,KBio2-0004,"KBio2 0004",141540,"NSC 141540",Etoposide}

> <pdid>
PD001532

> <targets>
{}

> <classes>
{"Topoisomerase II Inhibitors"}

> <pubchem_cids>
{439525}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 38 41  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
   -1.2991    5.2507    0.0000 N   0  0
   -0.0012    6.0029    0.0000 C   0  0
   -0.0036    7.5029    0.0000 C   0  0
   -1.3039    8.2509    0.0000 N   0  0
   -2.6017    7.4988    0.0000 C   0  0
   -2.5993    5.9988    0.0000 C   0  0
   -1.3093    9.7517    0.0000 C   0  0
   -0.0128   10.5060    0.0000 O   0  0
   -2.6114   10.4982    0.0000 C   0  0
   -2.6190   11.9982    0.0000 C   0  0
   -3.9218   12.7416    0.0000 O   0  0
   -5.2171   11.9850    0.0000 C   0  0
   -6.5199   12.7285    0.0000 C   0  0
   -7.8151   11.9719    0.0000 C   0  0
   -7.8075   10.4719    0.0000 C   0  0
   -6.5047    9.7285    0.0000 C   0  0
   -5.2095   10.4851    0.0000 C   0  0
   -3.9067    9.7416    0.0000 O   0  0
    7.6990    5.9961    0.0000 C   0  0
    7.6990    4.4961    0.0000 S   0  0
    7.6990    2.9961    0.0000 O   0  0
    6.3997    3.7465    0.0000 O   0  0
    8.9983    3.7465    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11  5  1  0
 11 12  1  0
 12 13  2  0
 13  3  1  0
 13 14  1  0
 14 15  1  0
  7 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 19 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 32 33  1  0
 33 24  1  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 35 38  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15639

> <plate>
PLATE 005

> <well>
C5

> <supplier_cmpd_name>
Doxazosin mesylate

> <ctcr_id>
3185

> <supplier_cmpd_id>
T0101

> <smiles>
COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)C4COc5ccccc5O4.C[S](O)(=O)=O

> <pd_targets>
{GLA,GAA,MAPT,KMT2A,MEN1,ALDH1A1,HPGD,LMNA,KDM4E,FTL,POLB,PMP22,RORC,FFP,BLM,GMNN,NS1,HLA-A,ADRA1D,ADRA1A,ADRA1B,KCNH2,ADRA2C,HTR4,ADRA2A,MMP1,ABCC4,ABCB11,ADRB2,HTR2B,SLC6A4,MTOR,HTR2C,SLC6A3,KCNH6,K
CNH7}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator","Other nuclear protein","Unclassified protein","Transcription factor","Surface antigen","Membrane receptor","Ion channel",Transporter,Hydrolase
,Reader,Oxidoreductase,Eraser,"Nuclear receptor",Transferase,"Family A G protein-coupled receptor","Voltage-gated ion channel",Protease,"Primary active transporter","Electrochemical transporter",Kinas
e,Bromodomain,"Lysine demethylase","Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","Potassium channels","Metallo protease","ATP-binding cassette","SLC superfamily of s
olute carriers","Protein Kinase","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","Monoamine receptor","Voltage-gated potassium channel","Metallo protease MAM clan","ABCC sub
family","ABCB subfamily","SLC06 neurotransmitter transporter family","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group F member 3","Adrenergic receptor","Serotonin receptor",
"Metallo protease M10A subfamily","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels",Transporters,"3.2.1.- Glycosidases","Eicosanoid turnover","Chromatin modifying enzymes","Nuclear hormone receptors","G protein-coupled receptors","Voltage-gated ion c
hannels","Peptidases and proteinases","ATP-binding cassette transporter family","SLC superfamily of solute carriers","Kinases (EC 2.7.x.x)","Prostaglandin synthases","1.14.11.- Histone demethylases","
1F. Retinoic acid-related orphans",Adrenoceptors,"Potassium channels","5-Hydroxytryptamine receptors","MA: Metallo (M) Peptidases","ABCC subfamily","ABCB subfamily","SLC6 neurotransmitter transporter 
family",Atypical,"2.1.1.43 Histone methyltransferases (HMTs)","Voltage-gated potassium channels","M10: Matrix metallopeptidase","Monoamine transporter subfamily","Phosphatidyl inositol 3' kinase-relat
ed kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Neuronal System","Cell Cycle","Vesicle-mediated transport","DNA Repair","Developmental Biology","Gene expression (Transcription)","Immune System","Signal Transduction","Muscle con
traction",Hemostasis,"Metabolism of lipids","Diseases of metabolism","Transmission across Chemical Synapses","Biological oxidations",Mitotic,"Membrane Trafficking","Base Excision Repair","Nervous syst
em development","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Adaptive Immune System","Signaling by GPCR","Cardiac conduction","Infectious disease","Cytokine Signaling in Immune 
system","Platelet activation","signaling and aggregation","Disorders of transmembrane transporters","Sphingolipid metabolism","Diseases of carbohydrate metabolism","Neurotransmitter receptors and post
synaptic signal transmission","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","trans-Golgi Network Vesicle Budding","Resolution of Abas
ic Sites (AP sites)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Generic Transcription Pathway","Homology Directed Repair","Mitotic G1 phase and G1/S transition","Class I MHC med
iated antigen processing & presentation","GPCR ligand binding","Phase 3 - rapid repolarisation","Leishmania infection","Signaling by Interleukins","Response to elevated platelet cytosolic Ca2+","Metab
olism of steroids","Neurotransmitter clearance","SLC transporter disorders","Glycosphingolipid metabolism","Glycogen storage diseases","Activation of NMDA receptors and postsynaptic events","Ethanol o
xidation","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Golgi Associated Vesicle Biogenesis","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Tran
scriptional regulation by RUNX3","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","G1/S Transition","Antigen processing-Cross presentation","Class A/1 (Rhodopsin-like rece
ptors)","Leishmania parasite growth and survival","Interleukin-4 and Interleukin-13 signaling","Platelet degranulation","Bile acid and bile salt metabolism","Serotonin clearance from the synaptic clef
t","Transcriptional Regulation by TP53","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Transcriptional regulation by RUNX1","Glycogen storage disease type II (GAA)","Post NMDA rece
ptor activation events","Biosynthesis of D-series resolvins","Mitotic Anaphase","PCNA-Dependent Long Patch Base Excision Repair","RUNX3 Regulates Immune Response and Cell Migration","HDR through Homol
ogous Recombination (HRR)","Activation of the pre-replicative complex","Endosomal/Vacuolar pathway","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection
","Synthesis of bile acids and bile salts","Regulation of TP53 Activity","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Activation of AMPK downstream of NMDAR
s","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange",Adrenoceptors,"ADORA2B mediated anti-inflammatory cytokines production","Synthesis of bile acids and bile salts via 7
alpha-hydroxycholesterol","Serotonin receptors","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and stran
d exchange","Regulation of TP53 Degradation"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D}

> <broad_moa>
{"adrenergic receptor antagonist"}

> <synonyms>
{CHEBI:4709,EU-0100474,EU0100474,"EU 0100474",FT-0625592,FT0625592,"FT 0625592",SW197099-3,SW1970993,"SW197099 3","Doxazosin mesylate",77883-43-3,77883433,"77883 43 3",Cardura,Carduran,Cardular,"Cardu
ra XL",Cardenalin,Dedralen,Progandol,Tensiobas,"Doxazosin (mesylate)","Doxazosin mesilate","UK 33274 mesylate",MLS000028455,Do,T0101,S1324,1505976,Prestw-858,"Doxazosin Mesylate","DOXAZOSIN MESYLATE"}

> <pdid>
PD003016

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"Neuronal Signaling",antihypertensive}

> <pubchem_cids>
{25137856,45039113,62978}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 16 15  0  0  0  0            999 V2000
    8.9990   -0.7508    0.0000 O   0  0
    5.1983   -3.0012    0.0000 C   0  0
    5.1988   -1.5012    0.0000 C   0  0
    6.4983   -0.7520    0.0000 O   0  0
    3.8990   -0.7508    0.0000 N   0  0
    3.8995    0.7492    0.0000 Na  0  0
    2.5988   -1.5004    0.0000 S   0  0
    2.5983   -3.0004    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15640

> <plate>
PLATE 005

> <well>
C6

> <supplier_cmpd_name>
Sulfacetamide sodium salt hydrate

> <ctcr_id>
1579

> <supplier_cmpd_id>
T0087

> <smiles>
O.CC(=O)N([Na])[S](=O)(=O)c1ccc(N)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{6209-17-2,6209172,"Sulfacetamide sodium monohydrate","Sulfacetamide sodium salt hydrate","Sulfacetamide sodic hydrate",UNII-4NRT660KJQ,UNII4NRT660KJQ,"sulfacetamide sodium hydrate","Sulfacetamide sod
ium (USP)","Isopto cetamide","Sulfair Forte",sodi,Prestw-14}

> <pdid>
PD010449

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6419954,42615202,23675679}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 62 66  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -2.5998    3.0004    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   11.5957   -1.5000    0.0000 C   0  0
   10.2966   -0.7500    0.0000 C   0  0
   10.2966    0.7500    0.0000 C   0  0
    8.9976    1.5000    0.0000 C   0  0
    7.6985    0.7500    0.0000 C   0  0
    7.6985   -0.7500    0.0000 C   0  0
    8.9976   -1.5000    0.0000 C   0  0
    6.3988    1.5004    0.0000 S   0  0
    5.1000    0.7500    0.0000 O   0  0
    6.3978    3.0004    0.0000 O   0  0
    5.0994    2.2498    0.0000 O   0  0
   38.9032    2.6332    0.0000 C   0  0
   38.2885    1.2649    0.0000 S   0  0
   39.1665    0.0487    0.0000 O   0  0
   39.7808    1.4169    0.0000 O   0  0
   36.7953    1.1135    0.0000 C   0  0
   35.9168    2.3304    0.0000 C   0  0
   34.4237    2.1789    0.0000 N   0  0
   33.5452    3.3958    0.0000 C   0  0
   32.0546    3.2447    0.0000 C   0  0
   31.0526    4.3610    0.0000 O   0  0
   29.7002    3.7421    0.0000 C   0  0
   29.8358    2.2610    0.0000 C   0  0
   31.3025    1.9468    0.0000 C   0  0
   28.4006    4.4925    0.0000 C   0  0
   28.4005    5.9925    0.0000 C   0  0
   27.1015    6.7425    0.0000 C   0  0
   25.8025    5.9924    0.0000 C   0  0
   24.5034    6.7424    0.0000 N   0  0
   23.2044    5.9924    0.0000 C   0  0
   23.2044    4.4924    0.0000 N   0  0
   24.5034    3.7424    0.0000 C   0  0
   24.5004    2.2416    0.0000 N   0  0
   23.1995    1.4930    0.0000 C   0  0
   23.1943   -0.0070    0.0000 C   0  0
   21.8927   -0.7525    0.0000 C   0  0
   20.5962    0.0020    0.0000 C   0  0
   19.2954   -0.7466    0.0000 O   0  0
   19.2924   -2.2474    0.0000 C   0  0
   17.9916   -2.9960    0.0000 C   0  0
   17.9863   -4.4961    0.0000 C   0  0
   16.6847   -5.2416    0.0000 C   0  0
   15.3883   -4.4871    0.0000 C   0  0
   15.3934   -2.9872    0.0000 C   0  0
   14.0970   -2.2327    0.0000 F   0  0
   16.6950   -2.2416    0.0000 C   0  0
   20.6014    1.5020    0.0000 C   0  0
   19.3050    2.2565    0.0000 Cl  0  0
   21.9030    2.2475    0.0000 C   0  0
   25.8025    4.4924    0.0000 C   0  0
   27.1015    3.7424    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  8 10  2  0
  8 11  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 19 21  2  0
 19 22  2  0
 23 24  1  0
 24 25  2  0
 24 26  2  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 31  2  0
 33 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  1  0
 55 57  2  0
 57 51  1  0
 48 58  1  0
 58 59  1  0
 58 60  2  0
 60 45  1  0
 43 61  1  0
 61 39  1  0
 61 62  2  0
 62 36  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15641

> <plate>
PLATE 005

> <well>
C7

> <supplier_cmpd_name>
Lapatinib

> <ctcr_id>
2541

> <supplier_cmpd_id>
T0078

> <smiles>
Cc1ccc(cc1)[S](O)(=O)=O.Cc2ccc(cc2)[S](O)(=O)=O.C[S](=O)(=O)CCNCc3oc(cc3)c4ccc5ncnc(Nc6ccc(OCc7cccc(F)c7)c(Cl)c6)c5c4

> <pd_targets>
{AURKB,RET,ERBB2,EGFR,ABL1,ABCB11,PDGFRB,ERBB3,KCNH2,CYP3A5,CDK2,INSR,PIK3C2B,TUBA1A,SLK,KMT2A,MEN1,PI4KB,MAP2K5,STK10,MAP2K7,RIPK2,CYP3A4,PIK3C2G,ERBB4}

> <pathway_gtopdb>
{Enzyme,Transporter,"Ion channel","Structural protein","Epigenetic regulator",Kinase,"Primary active transporter","Voltage-gated ion channel","Cytochrome P450",Transferase,Reader,"Protein Kinase","ATP
-binding cassette","Potassium channels","Cytochrome P450 family 3",Bromodomain,"Other protein kinase group","TK protein kinase group","ABCB subfamily","Voltage-gated potassium channel","Cytochrome P45
0 family 3A","CMGC protein kinase group","STE protein kinase group","TKL protein kinase group","Other protein kinase AUR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase EGFR fami
ly","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR family","Cytochrome P450 3A5","CMGC protein kinase CDK family","Tyrosine protein kinase InsR family","STE protein kinase STE20 f
amily","STE protein kinase STE7 family","TKL protein kinase RIPK family","Cytochrome P450 3A4","CMGC protein kinase CDC2 subfamily","STE protein kinase SLK subfamily"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels",Enzymes,"Other protein targets","Catalytic receptors","ATP-binding cassette transporter family","Voltage-gated ion channels","Cytochrome P450","Kinases (EC 2.7.x
.x)",Tubulins,"Receptor kinases","ABCB subfamily","Potassium channels","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid modifying kinases","STE: Homologs of yeast Sterile 7","Steri
le 11","Sterile 20 kinases","Other protein kinases","TK: Tyrosine kinase","Voltage-gated potassium channels","Cyclin-dependent kinase (CDK) family","Phosphatidylinositol-4-phosphate 3-kinase family","
STE20 family","1-phosphatidylinositol 4-kinase family","STE7 family","TKL: Tyrosine kinase-like","Aurora kinase (Aur) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)"
,"CDK1 subfamily","SLK subfamily","Receptor interacting protein kinase (RIPK) family","Type XIV RTKs: RET","Type I RTKs: ErbB (epidermal growth factor) receptor family","Abl family","Type III RTKs: PD
GFR",CSFR,Kit,"FLT3 receptor family","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Cell Cycle","Developmental Biology","Signal Transduction",Disease,Metabolism,"Muscle contraction","Gene expression (Transcription)","Immune System","Neuronal System",Mitotic,"Nervous system developm
ent","Signaling by GPCR","Infectious disease","Metabolism of lipids","Intracellular signaling by second messengers","Cardiac conduction","Biological oxidations","RNA Polymerase II Transcription","Sign
aling by Receptor Tyrosine Kinases","Innate Immune System","Transmission across Chemical Synapses","M Phase","Axon guidance","GPCR downstream signalling","Leishmania infection","Metabolism of steroids
","PIP3 activates AKT signaling","Phase 3 - rapid repolarisation","Phase I - Functionalization of compounds","Generic Transcription Pathway","Phospholipid metabolism","Mitotic G2-G2/M phases","Signali
ng by NTRKs","Neutrophil degranulation","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Mit
otic Metaphase and Anaphase","RET signaling","Semaphorin interactions","G alpha (q) signalling events","Parasite infection","Bile acid and bile salt metabolism","Negative regulation of the PI3K/AKT ne
twork","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by TP53","PI Metabolism","G2/M Transition","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","Biosynth
esis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Mitotic Anaphase","Sema4D in semaphorin signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Leishmania phag
ocytosis","Synthesis of bile acids and bile salts",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling",Xenobiotics,"Regulation of TP53 Activity","Synthesis of PIPs at the plasma membrane","Centrosome mat
uration","Synthesis of PIPs at the Golgi membrane","Signalling to ERK5","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Post NMDA receptor activation events","Separation of Si
ster Chromatids","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by Gastrin","FCGR3A-mediated phagocytosis","Synthesis of bile acids and bile salts via 7alpha-hydroxycho
lesterol","Regulation of TP53 Expression and Degradation","Loss of proteins required for interphase microtubule organization from the centrosome","MAP kinase activation","Biosynthesis of maresin-like 
SPMs","Long-term potentiation","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","activated
 TAK1 mediates p38 MAPK activation"}

> <broad_targets>
{EGFR,ERBB2}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{"Lapatinib Ditosylate",388082-77-7,388082777,Tykerb,Tyverb,"Lapatinib (GW-572016) Ditosylate","Lapatinib (GW572016) Ditosylate","Lapatinib (ditosylate)",388082-78-8,388082788,UNII-4WK72K94MC,UNII4WK7
2K94MC,4WK72K94MC,"388082-77-7 (ditosylate)","388082777 (ditosylate)","Lapatinib Ditosylate (Tykerb, Tyverb, GW-572016)","Lapatinib Ditosylate (Tykerb, Tyverb, GW572016)",Tyker,T6235,T0078L,S1028,"Lap
atinib ditosylate monohydrate",lapatinib}

> <pdid>
PD003505

> <targets>
{EGFR(HER),HER2,EGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{9941095}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -5.2112    5.9836    0.0000 N   0  0
   -6.5072    5.2269    0.0000 C   0  0
   -6.4994    3.7269    0.0000 O   0  0
   -7.8111    5.9701    0.0000 N   0  0
   -9.1072    5.2134    0.0000 C   0  0
  -10.4114    5.9543    0.0000 C   0  0
  -11.7053    5.1953    0.0000 C   0  0
  -11.6949    3.6953    0.0000 C   0  0
  -12.9887    2.9364    0.0000 Cl  0  0
  -10.3907    2.9543    0.0000 C   0  0
   -9.0969    3.7133    0.0000 C   0  0
  -10.3803    1.4536    0.0000 C   0  0
  -11.6736    0.6938    0.0000 F   0  0
   -9.0759    0.7130    0.0000 F   0  0
  -10.3692   -0.0464    0.0000 F   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 12 28  1  0
 28 29  2  0
 29  9  1  0
  7 30  2  0
 30 31  1  0
 31 32  2  0
 32  5  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15642

> <plate>
PLATE 005

> <well>
C8

> <supplier_cmpd_name>
Sorafenib tosylate

> <ctcr_id>
6031

> <supplier_cmpd_id>
T0093

> <smiles>
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1

> <pd_targets>
{EPHA6,RAF1,MKNK2,EPHA5,FLT4,FLT3,MAPK12,HTR7,BRAF,CSF1R,CDK17,CDK14,AURKA,AXL,CAMK2B,RET,FGR,MAP2K5,ARAF,KDR,CDK8,KIT,MAPK14,FRK,EPHA8,ABL2,EPHA4,SLK,FGFR1,RIPK2,NTRK1,STK36,LCK,MAPK13,STK33,TNNI3K,D
DR2,LYN,AURKC,TAOK3,PDGFRB,MYLK3,ABL1,STK10,CLK1,TTK,MAPK15,CIT,TEK,HTR6,CDK7,SRMS,MINK1,KMT2A,MEN1,FGFR2,EPHA2,FGFR3,TAOK1,CDK19,DDR1,EPHB4,FLT1,MYLK2,CDK2,HIPK2,MAPK11,EPHA7,MAP4K5,LIMK1,MAPK9,HIPK4
,EPHA3,MKNK1,SRPK1,TNK1,AURKB,CDKL2,CDKL3,HIPK1,CCNC,MAPK1,EGFR,TGFBR2,HTR2B,CDK5,MAP3K20,MAP4K4,PDGFRA,TIE1,RPS6KA6,FYN,EPHB1,EPHB2,NTRK2,TNIK,NTRK3,MUSK,HIPK3,EPHA1,IRAK1,RORC,MERTK,EPHB6,NLK,MAPK3,
DYRK3,CDK3,NTSR1,RPS6KB1,PLK2,MAP3K7,LIMK2,HCK,HTR2C,CDK15,HTR2A,EPHX2,PLK4,MAP4K1,CDPK1,HTR5A,MYO3B,ABCB11,CSNK1A1,MAP3K19,MET,TAOK2,CSK,JAK3,BLK,RIPK1,CCNA2,HTR1A,SRC,GSK3B,INSR,CA7,CYP19A1,MAP2K1,R
IPK3,PAX8,LMP1,MC4R}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Epigenetic regulator","Transcription factor","Unclassified protein",Transporter,Kinase,"Family A G protein-coupled receptor",Reader,"Nuclear receptor",Protease,"Primary ac
tive transporter",Lyase,"Cytochrome P450","Protein Kinase","Small molecule receptor (family A GPCR)",Bromodomain,"Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Serine prote
ase","ATP-binding cassette","Cytochrome P450 family 19","TK protein kinase group","TKL protein kinase group","CAMK protein kinase group","CMGC protein kinase group","Monoamine receptor","Other protein
 kinase group","STE protein kinase group","AGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Serine protease SC clan","ABCB subfamily",
"CK1 protein kinase group","Cytochrome P450 family 19A","Tyrosine protein kinase Eph family","TKL protein kinase RAF family","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase VEGFR family"
,"Tyrosine protein kinase PDGFR family","CMGC protein kinase MAPK family","Serotonin receptor","CMGC protein kinase CDK family","Other protein kinase AUR family","Tyrosine protein kinase Axl family","
CAMK protein kinase CAMK2 family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Src family","STE protein kinase STE7 family","Tyrosine protein kinase Abl family","STE protein kinase ST
E20 family","Tyrosine protein kinase FGFR family","TKL protein kinase RIPK family","Tyrosine protein kinase Trk family","Other protein kinase ULK family","CAMK protein kinase unique family","TKL prote
in kinase MLK family","Tyrosine protein kinase DDR family","CAMK protein kinase MLCK family","CMGC protein kinase CLK family","Other protein kinase TTK family","AGC protein kinase DMPK family","Tyrosi
ne protein kinase Tie family","CMGC protein kinase DYRK family","TKL protein kinase LISK family","CMGC protein kinase SRPK family","Tyrosine protein kinase Ack family","CMGC protein kinase CDKL family
","Tyrosine protein kinase EGFR family","TKL protein kinase STKR family","AGC protein kinase RSK family","Tyrosine protein kinase Musk family","TKL protein kinase IRAK family","Nuclear hormone recepto
r subfamily 1 group F member 3","Neurotensin receptor","Other protein kinase PLK family","Serine protease S33 family","CK1 protein kinase CK1 family","STE protein kinase STE11 family","Tyrosine protei
n kinase Met family","Tyrosine protein kinase Csk family","Tyrosine protein kinase JakA family","CMGC protein kinase GSK family","Tyrosine protein kinase InsR family","Cytochrome P450 19A1","Melanocor
tin receptor","CAMK protein kinase MNK subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase PCTAIRE","CMGC protein kinase PFTAIRE","CMGC protein kinase CDK8 subfamily","STE protein kina
se SLK subfamily","TKL protein kinase HH498 subfamily","STE protein kinase TAO subfamily","AGC protein kinase CRIK subfamily","CMGC protein kinase CDK7 subfamily","Tyrosine protein kinase Srm","STE pr
otein kinase MSN subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase KHS subfamily","TKL protein kinase LIMK subfamily","CMGC protein kinase JNK su
bfamily","CMGC protein kinase ERK1","TKL protein kinase STKR Type 2 subfamily","CMGC protein kinase CDK5 subfamily","TKL protein kinase MLK subfamily","AGC protein kinase RSK subfamily","Tyrosine prot
ein kinase SrcA","CMGC protein kinase nmo subfamily","CMGC protein kinase Dyrk2 subfamily","AGC protein kinase p70 subfamily","Other protein kinase PLK2","TKL protein kinase TAK1 subfamily","STE prote
in kinase NinaC subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Nuclear hormone receptors",Hydrolases,"ATP-binding cassette transporter family","Carbonic an
hydrases","Cytochrome P450","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","5-Hydroxytryptamine receptors","STE: Homologs of ye
ast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","1F. Retinoic acid-related orphans","Neurotensin receptors","ABCB subfamily","CK1: Casein kinase 1",CYP11,CYP1
7,CYP19,"CYP20 and CYP21 families","Melanocortin receptors","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","MAPK-Activated Protein Kinase (MAPKAPK) family","Mitogen-activated protein kinases (MAP k
inases)","Cyclin-dependent kinase (CDK) family","Other protein kinases","CAMK2 family","STE7 family","STE20 family","CAMK-unique family","Myosin Light Chain Kinase (MLCK) family","CLK family","DMPK fa
mily","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","SRPK family","Cyclin-dependent kinase-like (CDKL) family","RSK family","Casein kinase 1 (CK1) family","Glycogen sy
nthase kinase (GSK) family","Receptor tyrosine kinases (RTKs)","RAF family","MKN subfamily","p38 subfamily","TAIRE subfamily","Aurora kinase (Aur) family","Non-receptor tyrosine kinases (nRTKs)","CDK8
 subfamily","SLK subfamily","Receptor interacting protein kinase (RIPK) family","Unc-51-like kinase (ULK) family","Mixed Lineage Kinase (MLK) family","TAO subfamily","TTK family","Erk7 subfamily","Oth
er DMPK family kinases","CDK7 subfamily","MSN subfamily","CDK1 subfamily","HIPK subfamily","KHS subfamily","LIM domain kinase (LISK) family","JNK subfamily","ERK subfamily","Receptor serine/threonine 
kinase (RSTK) family","CDK5 subfamily","RSK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","nmo subfamily","Dyrk2 subfamily","p70 subfamily","Polo-like kinase (PLK) family","NinaC
 subfamily","STE20 subfamily","GSK subfamily","Type XIII RTKs: Ephrin receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 r
eceptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XIV RTKs: RET","Src family","Abl family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type VII RT
Ks: Neurotrophin receptor/Trk family","HH498 subfamily","Type XVI RTKs: DDR (collagen receptor) family","Type XII RTKs: TIE family of angiopoietin receptors","LIMK subfamily","Ack family","Type I RTKs
: ErbB (epidermal growth factor) receptor family","Type II receptor serine/threonine kinases","MLK subfamily","Type IX RTKs: MuSK","TAK1 subfamily","Type X RTKs: HGF (hepatocyte growth factor) recepto
r family","Csk family","Janus kinase (JakA) family","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction",Disease,"Gene expression (Transcription)","Neuronal System","Immune System","Extracellular matrix organization","Cellular responses to external stimuli",
"Cell Cycle",Metabolism,Hemostasis,"Nervous system development","MAPK family signaling cascades","Signaling by Receptor Tyrosine Kinases","Infectious disease","RNA Polymerase II Transcription","Transm
ission across Chemical Synapses","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","Intracellular signaling by second messengers","Non-integrin 
membrane-ECM interactions","Signaling by Rho GTPases","Signaling by Non-Receptor Tyrosine Kinases","Cellular responses to stress",Mitotic,"Metabolism of lipids","Signaling by GPCR","ECM proteoglycans"
,"Cell surface interactions at the vascular wall","Signaling by WNT","MTOR signalling","Cytokine Signaling in Immune system","Reversible hydration of carbon dioxide","Biological oxidations","Axon guid
ance","MAPK1/MAPK3 signaling","Signaling by VEGF","Signaling by Insulin receptor","Signaling by NTRKs","Leishmania infection","Generic Transcription Pathway","Neurotransmitter receptors and postsynapt
ic signal transmission","Oncogenic MAPK signaling","Signaling by NOTCH1 in Cancer","Signaling by KIT in disease","Toll-like Receptor Cascades","PIP3 activates AKT signaling","Signaling by FGFR in dise
ase","HIV Infection","Neutrophil degranulation","RHO GTPase Effectors","Signaling by PTK6","Cellular Senescence","M Phase","Regulation of lipid metabolism by PPARalpha","Signaling by FGFR","GPCR downs
tream signalling","Signaling by TGF-beta Receptor Complex in Cancer","GPCR ligand binding","Signaling by PDGFR in disease","Beta-catenin independent WNT signaling","mTORC1-mediated signalling","Biosyn
thesis of specialized proresolving mediators (SPMs)","Mitotic G2-G2/M phases","Metabolism of steroids","Signaling by WNT in cancer","Signaling by Interleukins","SARS-CoV Infections","Phase I - Functio
nalization of compounds","EPH-Ephrin signaling","RAF/MAP kinase cascade","VEGF ligand-receptor interactions","Insulin receptor signalling cascade","Signaling by NTRK1 (TRKA)","Leishmania parasite grow
th and survival","Transcriptional Regulation by VENTX","Transcriptional Regulation by TP53","VEGFA-VEGFR2 Pathway","Activation of NMDA receptors and postsynaptic events","RET signaling","Signaling by 
RAS mutants","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Drug resistance of KIT mutants","Toll Like Receptor 5 (TLR5) Cascade","PTEN Regulation","Signaling by ROBO receptors","Signaling by
 FGFR1 in disease","Host Interactions of HIV factors","Negative regulation of the PI3K/AKT network","Parasite infection","RHO GTPases activate CIT","HIV Life Cycle","PTK6 Down-Regulation","Oxidative S
tress Induced Senescence","Signaling by FGFR2 in disease","Signaling by FGFR3 in disease","Mitotic Metaphase and Anaphase","PPARA activates gene expression","Semaphorin interactions","Signaling by FGF
R4","G alpha (q) signalling events","Loss of Function of SMAD2/3 in Cancer","Class A/1 (Rhodopsin-like receptors)","Drug resistance of PDGFR mutants","Signaling by NTRK3 (TRKC)","Transcriptional regul
ation by RUNX3","Ca2+ pathway","Toll Like Receptor 4 (TLR4) Cascade","Biosynthesis of DHA-derived SPMs","G2/M Transition","Bile acid and bile salt metabolism","Signaling by AMER1 mutants","Interleukin
-2 family signaling","Transcriptional regulation by RUNX1","SARS-CoV-1 Infection","Cytochrome P450 - arranged by substrate type","EPHA-mediated growth cone collapse","Negative regulation of MAPK pathw
ay","VEGF binds to VEGFR leading to receptor dimerization","IRS-mediated signalling","Signalling to ERKs","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of TP53 Activ
ity","Post NMDA receptor activation events","Signalling to ERK5","Signaling downstream of RAS mutants","VEGFR2 mediated cell proliferation","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","D
asatinib-resistant KIT mutants","MyD88 cascade initiated on plasma membrane","Regulation of PTEN stability and activity","Role of ABL in ROBO-SLIT signaling","FGFR1 mutant receptor activation","The ro
le of Nef in HIV-1 replication and disease pathogenesis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Leishmania phagocytosis","Late Phase of HIV Life Cycle","FGFR2 mutant receptor activation","S
ignaling by FGFR3 point mutants in cancer","Mitotic Anaphase","EPHB-mediated forward signaling","Sema4D in semaphorin signaling","Negative regulation of FGFR4 signaling","Gastrin-CREB signalling pathw
ay via PKC and MAPK","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Amine ligand-binding receptors","Imatinib-resistant PDGFR mutants","Activation of TRKA receptors","Activated NTRK3 signals throu
gh PI3K","RUNX3 Regulates Immune Response and Cell Migration","Peptide ligand-binding receptors","MyD88-independent TLR4 cascade","Biosynthesis of maresins","Centrosome maturation","Synthesis of bile 
acids and bile salts","Truncations of AMER1 destabilize the destruction complex","Interleukin-15 signaling","RUNX1 regulates transcription of genes involved in BCR signaling","SARS-CoV-1 Genome Replic
ation and Transcription","Endogenous sterols","Negative feedback regulation of MAPK pathway","PI3K Cascade","Signalling to RAS","ADORA2B mediated anti-inflammatory cytokines production","Prolonged ERK
 activation events","Regulation of TP53 Activity through Phosphorylation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","FCGR3A-mediated IL10 synthesis","MAP kinas
e activation","Signaling by activated point mutants of FGFR1","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated phagocytosis","Transcrip
tion of the HIV genome","Activated point mutants of FGFR2","FGFR3 mutant receptor activation","Separation of Sister Chromatids","Regulation of TP53 Expression and Degradation","Sema4D induced cell mig
ration and growth-cone collapse","Spry regulation of FGF signaling","EGFR Transactivation by Gastrin","Serotonin receptors","Nef and signal transduction","NGF-independant TRKA activation","CD163 media
ting an anti-inflammatory response","TRIF(TICAM1)-mediated TLR4 signaling","Loss of proteins required for interphase microtubule organization from the centrosome","Synthesis of bile acids and bile sal
ts via 7alpha-hydroxycholesterol","Sema4D mediated inhibition of cell attachment and migration","Replication of the SARS-CoV-1 genome","p38MAPK events","ARMS-mediated activation","Ras activation upon 
Ca2+ influx through NMDA receptor","MAPK targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","Nef Mediated CD4 Down-regulation","HIV Transcription Elongation
","Signaling by activated point mutants of FGFR3","Regulation of TP53 Degradation","RSK activation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Loss of Nlp from mitotic centrosomes
","IKK complex recruitment mediated by RIP1","Activation of the AP-1 family of transcription factors","Tat-mediated elongation of the HIV-1 transcript","ERK/MAPK targets","Formation of HIV-1 elongatio
n complex containing HIV-1 Tat","ERKs are inactivated"}

> <broad_targets>
{BRAF,DDR2,FGFR1,FLT1,FLT3,FLT4,KDR,KIT,PDGFRB,RAF1,RET}

> <broad_moa>
{"FLT3 inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor","RAF inhibitor","RET tyrosine kinase inhibitor","VEGFR inhibitor"}

> <synonyms>
{"AY 43900",Sorafenib,284461-73-0,284461730,Nexavar,"BAY 43-9006","BAY 439006",UNII-9ZOQ3TZI87,UNII9ZOQ3TZI87,"Sorafenib free base","284461-73-0 (free base)","284461730 (free base)",100012-18-8,100012
188,BAY-43-9006,BAY439006,9ZOQ3TZI87,CHEMBL1336,DTXSID7041128,CHEBI:50924,MFCD06411450,"Sorafenib (Nexavar)","Donafenib (Sorafenib D3)",T0093L,747971,10009644,S7397,"NSC 747971",sorafenib,"Sorafenib T
osylate",SORAFENIB,"Sorafenib tosylate"}

> <pdid>
PD003493

> <targets>
{B-Raf,PDGFR,Raf,RAF,KIT,VEGFR2/3,Apoptosis,Autophagy,Ferroptosis,FLT3,VEGFR}

> <classes>
{Raf/PDGF/VEGFR inhibitor,Apoptosis,Autophagy,MAPK/ERK Pathway,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{216239}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 69 77  0  0  1  0            999 V2000
   -0.0133   -5.9950    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0  1  0  0  0
    1.2935   -3.7495    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    3.8915   -3.7585    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0  2  0  0  0
    5.1828   -6.0130    0.0000 O   0  0
    2.5847   -6.0040    0.0000 C   0  0  2  0  0  0
    2.5826   -7.5048    0.0000 O   0  0
    3.8809   -8.2579    0.0000 C   0  0  1  0  0  0
    3.8810   -9.7579    0.0000 C   0  0
    5.1800  -10.5079    0.0000 C   0  0  2  0  0  0
    5.1800  -12.0079    0.0000 O   0  0
    6.4791   -9.7579    0.0000 C   0  0  2  0  0  0
    7.7773  -10.5110    0.0000 O   0  0
    7.7751  -12.0118    0.0000 C   0  0  1  0  0  0
    9.0716  -12.7664    0.0000 C   0  0
    9.0664  -14.2663    0.0000 C   0  0  2  0  0  0
   10.3651  -15.0186    0.0000 O   0  0
   11.6664  -14.2708    0.0000 C   0  0
   11.6689  -12.7708    0.0000 C   0  0
   12.9644  -15.0226    0.0000 O   0  0
    7.7648  -15.0119    0.0000 C   0  0  2  0  0  0
    7.7627  -16.5127    0.0000 O   0  0
    9.0609  -17.2657    0.0000 C   0  0  2  0  0  0
   10.3600  -16.5158    0.0000 O   0  0
   11.6591  -17.2658    0.0000 C   0  0  2  0  0  0
   12.9573  -16.5127    0.0000 C   0  0
   12.9552  -15.0127    0.0000 O   0  0
   11.6591  -18.7658    0.0000 C   0  0  1  0  0  0
   12.9581  -19.5158    0.0000 O   0  0
   10.3600  -19.5158    0.0000 C   0  0  2  0  0  0
   10.3600  -21.0158    0.0000 O   0  0
    9.0610  -18.7658    0.0000 C   0  0  1  0  0  0
    7.7620  -19.5158    0.0000 O   0  0
    6.4683  -14.2574    0.0000 C   0  0  1  0  0  0
    5.1667  -15.0029    0.0000 C   0  0
    6.4735  -12.7574    0.0000 O   0  0
    6.4790   -8.2579    0.0000 C   0  0  1  0  0  0
    7.7781   -7.5079    0.0000 C   0  0
    5.1800   -7.5079    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990    2.2500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0  1  0  0  0
   -3.8971    5.2500    0.0000 O   0  0
   -5.1962    3.0000    0.0000 C   0  0  2  0  0  0
   -5.3512    4.4919    0.0000 C   0  0
   -6.6112    3.4635    0.0000 C   0  0  2  0  0  0
   -7.4928    2.2500    0.0000 C   0  0
   -6.6111    1.0364    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0  2  0  0  0
   -5.3512    0.0080    0.0000 O   0  0
   -7.0732    4.8913    0.0000 C   0  0
   -6.2824    6.1452    0.0000 C   0  0
   -7.2559    7.2864    0.0000 C   0  0
   -6.9049    8.7447    0.0000 O   0  0
   -8.6421    6.7131    0.0000 O   0  0
   -8.5252    5.2177    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  2  1  0
  8  9  1  6
 10  9  1  6
 10 11  1  0
 11 12  1  0
 12 13  1  1
 12 14  1  0
 14 15  1  1
 16 15  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  6
 19 20  1  0
 20 21  1  0
 20 22  2  0
 18 23  1  0
 23 24  1  6
 25 24  1  6
 25 26  1  0
 26 27  1  0
 27 28  1  6
 28 29  1  0
 27 30  1  0
 30 31  1  1
 30 32  1  0
 32 33  1  6
 32 34  1  0
 34 25  1  0
 34 35  1  1
 23 36  1  0
 36 37  1  1
 36 38  1  0
 38 16  1  0
 14 39  1  0
 39 40  1  6
 39 41  1  0
 41 10  1  0
  4 42  1  1
 43 42  1  6
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  6
 46 48  1  0
 48 49  1  1
 49 50  1  0
 51 50  1  1
 51 52  1  0
 52 46  1  0
 52 53  1  6
 53 54  1  0
 54 55  1  6
 54 56  1  0
 56 57  1  6
 56 58  1  0
 58 59  1  0
 59 60  1  0
 60 61  1  0
 61 51  1  0
 61 56  1  0
 61 62  1  6
 58 63  1  6
 63 64  2  3
 64 65  1  0
 65 66  2  0
 65 67  1  0
 67 68  1  0
 68 63  1  0
 48 69  1  0
 69 43  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15643

> <plate>
PLATE 005

> <well>
C9

> <supplier_cmpd_name>
Lanatoside C

> <ctcr_id>
5486

> <supplier_cmpd_id>
T1670

> <smiles>
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(C)=O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)[C@H](CC[C@@H]7[C@@H]6C[C@@H](O)[C@
]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5

> <pd_targets>
{RORC,PAX8}

> <pathway_gtopdb>
{"Transcription factor","Unclassified protein","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F me
mber 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{}

> <broad_moa>
{"cardiac glycoside"}

> <synonyms>
{"lanatoside C",17575-22-3,17575223,"Lanatosid C",Isolanid,UNII-5RR3JFZ771,UNII5RR3JFZ771,Cedilanid,Ceglunate,Celadigal,Celanid,Cetosanol,Isolanide,Lanimerck,5RR3JFZ771,"Digilanide C",Lanocide-C,Lanoc
ideC,Desacetyllanatoside,MFCD00869432,Celanidum,"Lanatosidum C","Lanatosido C",T1670,Prestw-656,"Lanatoside C"}

> <pdid>
PD001449

> <targets>
{Autophagy,Enterovirus}

> <classes>
{Anti-infection,Autophagy}

> <pubchem_cids>
{656630}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 16 18  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.0972    0.1560    0.0000 C   0  0
   -5.9786   -1.0577    0.0000 C   0  0
   -5.7073    1.5264    0.0000 N   0  0
   -4.8257    2.7399    0.0000 C   0  0
   -3.3339    2.5831    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  6  1  0
 15  9  1  0
  7 16  2  0
 16  3  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15644

> <plate>
PLATE 005

> <well>
C10

> <supplier_cmpd_name>
Harmine

> <ctcr_id>
1401

> <supplier_cmpd_id>
T1711

> <smiles>
COc1ccc2c([nH]c3c(C)nccc23)c1

> <pd_targets>
{HTR2C,HTR6,ADRA2A,ALDH1A1,HPGD,CYP1A2,CLK1,DYRK1A,CCNT1,CDK9,NISCH,DYRK2,DYRK3,ACHE,DYRK4,CSNK1D,KDM4E,CCNA1,CCNA2,CDK2,MAOA,HSD17B10,CYP2D6,ADRA2B,ADRA2C,DYRK1B,HTR2A,HASPIN,RORC,CYP3A4,CSNK1E,PIM3,
SLC6A2,CDK5,CDK5R1,GSK3-BETA,GSK3A,CLK4,KLK7,CCNB1,CCNB2,CCNB3,CDK1,HTR7,CLK2,HIF1A,ABCG2}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Other cytosolic protein","Epigenetic regulator","Transcription factor",Transporter,"Family A G protein-coupled receptor",Oxidoreductase,"Cytochrome P450",Kinase,Hydrolase,
Eraser,"Nuclear receptor","Electrochemical transporter",Protease,"Primary active transporter","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","Protein Kinase","Lysine demethylase"
,"Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","SLC superfamily of solute carriers","Serine protease","Cysteine protease","ATP-binding cassette","Monoami
ne receptor","Cytochrome P450 family 1A","CMGC protein kinase group","CK1 protein kinase group","Jumonji domain-containing","Cytochrome P450 family 2D","Other protein kinase group","Nuclear hormone re
ceptor subfamily 1 group F","Cytochrome P450 family 3A","CAMK protein kinase group","SLC06 neurotransmitter transporter family","Serine protease PA clan","Cysteine protease CA clan","ABCG subfamily","
Serotonin receptor","Adrenergic receptor","Cytochrome P450 1A1","CMGC protein kinase CLK family","CMGC protein kinase DYRK family","CMGC protein kinase CDK family","CK1 protein kinase CK1 family","Cyt
ochrome P450 2D6","Other protein kinase Haspin family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","CAMK protein kinase PIM family","CMGC protein kinase GSK family","
Serine protease S1A subfamily","Cysteine protease C1A family","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase CDK9 subfamily","CMGC protein kinase Dyrk2 subfamily","CMGC protein kinase CDC2
 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Eicosanoid turnover","Cytochrome P450","Kinases (EC 2.7.x.x)","Acetylcholine turnover","Chromatin modifying enzymes","Catecholamine turno
ver","Catalytic receptors","Nuclear hormone receptors","SLC superfamily of solute carriers","Peptidases and proteinases","ATP-binding cassette transporter family","5-Hydroxytryptamine receptors",Adren
oceptors,"Prostaglandin synthases","CYP1 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","1.14.11.- Histone demethylases","CYP2 family: drug metabolising subset","Recept
or kinases","1F. Retinoic acid-related orphans","CYP3 family","CAMK: Calcium/calmodulin-dependent protein kinases","SLC6 neurotransmitter transporter family","PA: Serine (S) Peptidases","ABCG subfamil
y","CLK family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Casein kinase 1 (CK1) family","Other protein kinases","PIM family","Monoamine transporter subfamily","S1
: Chymotrypsin","Dyrk1 subfamily","Dyrk2 subfamily","Haspin family"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Cell Cycle","Gene expression (Transcription)","Extracellular matrix organization","Cellular responses to external stimuli","Signaling by GPCR","Infectious di
sease","Biological oxidations","Metabolism of lipids",Mitotic,"RNA Polymerase II Transcription","Metabolism of amino acids and derivatives","Disorders of transmembrane transporters","Degradation of th
e extracellular matrix","Cellular responses to stress","Abacavir transport and metabolism","GPCR ligand binding","Leishmania infection","Phase I - Functionalization of compounds","Biosynthesis of spec
ialized proresolving mediators (SPMs)","Mitotic G1 phase and G1/S transition","Generic Transcription Pathway","Phospholipid metabolism","Mitotic G2-G2/M phases","Branched-chain amino acid catabolism",
"SLC transporter disorders","Cellular response to hypoxia","Abacavir transmembrane transport","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Ethanol oxidation","Bios
ynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","G0 and Early G1","Transcriptional Regulation by TP53","Glycerophospholipid biosynthesis","G2/M Transition","Amine Oxidase 
reactions","Transcriptional regulation by RUNX3","Defective SLC6A2 causes orthostatic intolerance (OI)","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Amine ligand-binding
 receptors","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of D-series resolvins",Xenobiotics,"Regulation of TP53 Activity","Synthesis of PC","Centrosome maturation
","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Serotonin receptors","ADORA2B mediated ant
i-inflammatory cytokines production",Adrenoceptors,"Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Regulation of TP53 Activity through Phosphorylation","Loss of proteins required f
or interphase microtubule organization from the centrosome","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HARMINE,442-51-3,442513,"7-Methoxy-1-methyl-9H-pyrido(3,4-b)indole","7Methoxy1methyl9Hpyrido(3,4b)indole",Banisterine,Telepathine,Leucoharmine,Yageine,Yajeine,Harmin,"9H-Pyrido(3,4-b)indole, 7-methox
y-1-methyl-","9HPyrido(3,4b)indole, 7methoxy1methyl",7-Methoxy-1-methyl-9H-beta-carboline,7Methoxy1methyl9Hbetacarboline,Banisterin,Telepathin,Yagein,1-Methyl-7-met,1Methyl7met,T1711,T2811,1500867,Har
mine,"Harmine hydrochloride"}

> <pdid>
PD001545

> <targets>
{DYRK1A,MAO,"5-HT Receptor",DYRK}

> <classes>
{CNS stimulant,antiparkinsonian,GPCR/G Protein,Neuronal Signaling,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{5280953}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    2.5532   -4.4223    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1743   -3.8808    0.0000 C   0  0
   -3.0913   -5.0679    0.0000 C   0  0
   -2.5218   -6.4556    0.0000 C   0  0
   -3.4369   -7.6452    0.0000 C   0  0
   -2.8651   -9.0328    0.0000 N   0  0
   -3.7779  -10.2231    0.0000 C   0  0
   -3.2036  -11.6088    0.0000 C   0  0
   -1.7164  -11.8043    0.0000 O   0  0
   -0.8035  -10.6141    0.0000 C   0  0
   -1.3778   -9.2284    0.0000 C   0  0
   -1.0353   -6.6562    0.0000 C   0  0
   -0.1183   -5.4691    0.0000 N   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -3.8978    2.2504    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10  2  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 14 22  1  0
 22 23  2  0
 23 11  1  0
  7 24  1  0
 24 25  3  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15645

> <plate>
PLATE 005

> <well>
C11

> <supplier_cmpd_name>
AZD1080

> <ctcr_id>
3512

> <supplier_cmpd_id>
T1741

> <smiles>
Oc1[nH]c2ccc(cc2c1c3ccc(CN4CCOCC4)cn3)C#N

> <pd_targets>
{CDK5,MINK1,CDK1,CLK4,GSK3B,PRKD2,PIM3,DYRK3,CDK7,CAMK2G,SGK2,CDK2,CAMK2A,MARK2,STK17A,DYRK1B,GSK3A}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","STE protein kinase group","CAMK protein kinase group","AGC protein kinase group","CMGC protein kinase CDK family","STE protein kinase STE20
 family","CMGC protein kinase CLK family","CMGC protein kinase GSK family","CAMK protein kinase PKD family","CAMK protein kinase PIM family","CMGC protein kinase DYRK family","CAMK protein kinase CAMK
2 family","AGC protein kinase SGK family","CAMK protein kinase CAMK1 family","CAMK protein kinase DAPK family","CMGC protein kinase CDK5 subfamily","STE protein kinase MSN subfamily","CMGC protein kin
ase CDC2 subfamily","CMGC protein kinase Dyrk2 subfamily","CMGC protein kinase CDK7 subfamily","CAMK protein kinase MARK subfamily","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kinases
","AGC: Containing PKA",PKG,"PKC families","Cyclin-dependent kinase (CDK) family","STE20 family","CLK family","Glycogen synthase kinase (GSK) family","Protein kinase D (PKD) family","PIM family","Dual
-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CAMK2 family","SGK family","CAMK-like (CAMKL) family","Death-associated kinase (DAPK) family","CDK5 subfamily","MSN subfamily
","CDK1 subfamily","GSK subfamily","Dyrk2 subfamily","CDK7 subfamily","MARK subfamily","Dyrk1 subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cellular responses to external stimuli","Cell Cycle",Disease,Metabolism,"Neuronal System","Transport of small molecules","RNA Polymerase II Transcription","Cellular
 responses to stress",Mitotic,"Infectious disease","Metabolism of lipids","Transmission across Chemical Synapses","Ion channel transport","Generic Transcription Pathway","Cellular Senescence","Regulat
ion of mitotic cell cycle","SARS-CoV Infections","Sphingolipid metabolism","HIV Infection","Neurotransmitter receptors and postsynaptic signal transmission","Stimuli-sensing channels","Transcriptional
 Regulation by TP53","Oxidative Stress Induced Senescence","APC/C-mediated degradation of cell cycle proteins","SARS-CoV-1 Infection","Sphingolipid de novo biosynthesis","HIV Life Cycle","Activation o
f NMDA receptors and postsynaptic events","Regulation of TP53 Activity","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","SARS-CoV-1 Genome Replication and Transcription"
,"Late Phase of HIV Life Cycle","Post NMDA receptor activation events","Regulation of TP53 Activity through Phosphorylation","APC/C:Cdc20 mediated degradation of mitotic proteins","Replication of the 
SARS-CoV-1 genome","Transcription of the HIV genome","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Regulation of TP53 Expression and Degradation","APC:Cdc20 media
ted degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","HIV Transcription Elongation","Ras activation upon Ca2+ influx through NMDA receptor","Regulation of TP53 Deg
radation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AZD1080,612487-72-6,612487726,AZD-1080,AZ-11548415,AZ11548415,"AZD 1080",UNII-0TII45R8IJ,UNII0TII45R8IJ,0TII45R8IJ,2-hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile,2hydroxy3(5(
morpholinomethyl)pyridin2yl)1Hindole5carbonitrile,CHEMBL1969664,2-Hydroxy-3-(5-(morpholin-4-ylmethyl)pyridin-2-yl)-1H-indole-5-carbonitrile,2Hydroxy3(5(morpholin4ylmethyl)pyridin2yl)1Hindole5carbonitr
ile,2-Hydr,2Hydr,T1741,S7145}

> <pdid>
PD010598

> <targets>
{GSK-3}

> <classes>
{PI3K/Akt/mTOR,Stem Cell/Wnt}

> <pubchem_cids>
{135564570}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
   10.4512   -8.1716    0.0000 C   0  0
    8.9847   -7.8565    0.0000 N   0  0
    7.9789   -8.9693    0.0000 C   0  0
    8.5232   -6.4284    0.0000 C   0  0
    7.0558   -6.1131    0.0000 C   0  0
    6.5925   -4.6864    0.0000 C   0  0
    5.1253   -4.3743    0.0000 C   0  0
    4.1215   -5.4889    0.0000 C   0  0
    4.5848   -6.9156    0.0000 C   0  0
    6.0520   -7.2277    0.0000 C   0  0
    4.6589   -2.9478    0.0000 N   0  0
    3.1905   -2.6376    0.0000 C   0  0
    2.7248   -1.2135    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8983    0.7459    0.0000 O   0  0
   -2.6030    2.9977    0.0000 N   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    5.1065    0.0000    0.0000 O   0  0
    2.1880   -3.7544    0.0000 C   0  0
    0.7198   -3.4469    0.0000 C   0  0
   -0.2806   -4.5646    0.0000 C   0  0
    0.1871   -5.9898    0.0000 C   0  0
    1.6552   -6.2974    0.0000 C   0  0
    2.6556   -5.1797    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  7 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  2  0
 20 22  1  0
 15 23  1  0
 23 24  1  0
 24 13  1  0
 24 25  2  0
 12 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15646

> <plate>
PLATE 005

> <well>
D2

> <supplier_cmpd_name>
BIX02188

> <ctcr_id>
11424

> <supplier_cmpd_id>
T6324

> <smiles>
CN(C)Cc1cc(ccc1)N/C(=C\1/c2c(cc(cc2)C(=O)N)NC1=O)/c1ccccc1

> <pd_targets>
{MAP2K5,MAPK7}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","STE protein kinase group","CMGC protein kinase group","STE protein kinase STE7 family","CMGC protein kinase MAPK family","CMGC protein kinase ERK5"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE7 family","Mitogen-activated protein kinases (M
AP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Signaling by Receptor Tyrosine Kinases","Innate Immune System","Signaling by NTRKs","Toll-like Receptor Cascades","Signaling by NTRK1 (TRKA)","Toll Like Recepto
r 5 (TLR5) Cascade","Signalling to ERK5","MyD88 cascade initiated on plasma membrane","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inacti
vated"}

> <broad_targets>
{MAP2K5}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{BIX02188,1094614-84-2,1094614842,BIX-02188,"BIX 02188",334949-59-6,334949596,UNII-4Y3VYY2X83,UNII4Y3VYY2X83,4Y3VYY2X83,PubChem19142,GTPL8064,CHEMBL4303171,SCHEMBL16685264,SCHEMBL16685266,SCHEMBL16685
268,SCHEMBL21143306,EX-A221,EXA221,HMS3674E11,BCP11305,"BIX-02188(Random Configuration)","BIX02188(Random Configuration)",A,T6324}

> <pdid>
PD003248

> <targets>
{ERK5,MEK1,MEK2,MEK5,TGF¦ÂR1,ERK,MEK}

> <classes>
{MAPK,Stem Cells,MAPK/ERK Pathway,Stem Cell/Wnt}

> <pubchem_cids>
{135398492}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0935    6.1101    0.0000 N   0  0
   -0.5570    7.5366    0.0000 N   0  0
   -2.0570    7.5366    0.0000 C   0  0
   -2.9352    8.7505    0.0000 S   0  0
   -2.3228   10.1207    0.0000 C   0  0
   -3.0772   11.4024    0.0000 C   0  0
   -2.0696   12.5137    0.0000 C   0  0
   -0.7014   11.8988    0.0000 C   0  0
   -0.8634   10.4076    0.0000 C   0  0
   -2.5205    6.1100    0.0000 N   0  0
   -3.9451    5.6378    0.0000 C   0  0
   -4.3615    4.2022    0.0000 C   0  0
   -5.8183    3.8447    0.0000 C   0  0
   -6.8563    4.9276    0.0000 C   0  0
   -6.4374    6.3680    0.0000 N   0  0
   -4.9807    6.7254    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    0.0072   -7.5017    0.0000 S   0  0
   -1.2902   -8.2546    0.0000 O   0  0
    1.3076   -8.2492    0.0000 O   0  0
    0.0103   -9.0017    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 12  1  0
 10 17  1  0
 17  7  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
  4 24  2  0
 24 25  1  0
 25 26  2  0
 26  2  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 30 33  1  0
 33 34  2  0
 33 35  2  0
 33 36  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15647

> <plate>
PLATE 005

> <well>
D3

> <supplier_cmpd_name>
NMS 873

> <ctcr_id>
7938

> <supplier_cmpd_id>
T1853

> <smiles>
Cc1cc(OCc2nnc(SC3CCCC3)n2c4cccnc4)ccc1c5ccc(cc5)S(=O)(=O)C

> <pd_targets>
{VCP}

> <pathway_gtopdb>
{Transporter,"Primary active transporter","Endoplasmic reticular retrotranslocon family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","SARS-CoV-1 Infection","Attachment and Entry"}

> <broad_targets>
{VCP}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{MS87,NMS-873,NMS873,1418013-75-8,1418013758,"NMS 873",CHEMBL2311578,"NM S873",C27H28N4O3S2,C27H28N4O4S2,SCHEMBL21981200,AOB4921,EX-A353,EXA353,SYN5208,HMS3653I08,HMS3744C07,BCP08666,2591AH,BDBM504249
17,MFCD28009371,NSC794522,s7285,ZINC95598073,AKOS026750235,CCG-269859,CCG269859,C,T1853,S7285}

> <pdid>
PD010365

> <targets>
{p97}

> <classes>
{Cell Cycle/DNA Damage}

> <pubchem_cids>
{71521142}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 26  0  0  1  0            999 V2000
    6.0921   -5.7983    0.0000 N   0  0
    6.7064   -4.4299    0.0000 C   0  0
    7.3211   -3.0607    0.0000 C   0  0
    6.4434   -1.8433    0.0000 C   0  0  1  0  0  0
    7.0565   -0.4733    0.0000 C   0  0
    6.3038    0.8093    0.0000 C   0  0
    7.3128    1.9192    0.0000 C   0  0
    8.6802    1.3025    0.0000 C   0  0
    8.5162   -0.1885    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  3  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  4 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 15  1  0
 23 19  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15648

> <plate>
PLATE 005

> <well>
D4

> <supplier_cmpd_name>
(R)-Ruxolitinib

> <ctcr_id>
7410

> <supplier_cmpd_id>
T1829

> <smiles>
N#CC[C@@H](C1CCCC1)n2cc(cn2)c3ncnc4[nH]ccc34

> <pd_targets>
{IKBKE,ABL1,JAK2,RET,MAP4K4,LCK,GRK5,GSK3A,AURKB,JAK3,DYRK1B,FGFR1,CSNK1A1,CDK8,NTRK2,ALK,PRKAA1,DYRK1A,TAOK1,DAPK3,CLK2,LTK,PTK2,ROCK1,FYN,LRRK2,TNK2,PAK4,GSK3B,PRKACA,CAMK1D,CAMK2A,NTRK3,AURKA,PRKD3
,CLK4,MAP3K2,IKBKB,GRK7,CAMK2G,KIT,DCLK2,RPS6KA6,MKNK2,JAK1,PRKCE,VRK2,PLK4,PAK5,MAP3K19,TYK2,BMPR1B,CDK7,NEK7,MAP2K4,TTK,BRAF,ROCK2,BMPR2,STK26,RIPK4,RIOK1,BMP2K,MAP4K2,HDAC6,PI4KB,MAP2K1,CASK,CAMK2D
,SBK1,DCLK3,ANKK1,NTRK1,ULK3,CSNK2A1,PKNB,GAK,SRPK3,ULK2,MAST1,TAOK2,MARK2,TAOK3,RIOK3,PLK3,EPHB6,DCLK1,OXSR1,MAPK8,GRK1,CAMK1,STK17B,DMPK,CAMK2B,ERN1,CSNK2A2,NEK3,HIPK1,RIOK2,PAK6,AURKC,MAP3K15,RPS6K
A2,IRAK1,MAP2K3,ULK1,PLK1,EPHA3,NR1H2,HIPK3,MAP3K1,PHKG1,STK25,DAPK2,AAK1,CAMK1G,HIPK2,NUAK2,SIK3,PHKG2,MAP3K3,GRK4,PRKG2,PLK2,STK39,TBK1,MELK,MAP2K2,RPS6KA1,SRPK1,DYRK2,STK17A,RPS6KA5,DAPK1,STK16,RPS
6KA4,MYLK,MAP3K7,SBK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","TK protein kinase group","STE protein kinase group","AGC protein kinase group","CMGC protein kinase group","CK1 protein kinase group","TKL
 protein kinase group","CAMK protein kinase group","Tyrosine protein kinase Abl family","Tyrosine protein kinase JakA family","Tyrosine protein kinase Ret family","STE protein kinase STE20 family","Ty
rosine protein kinase Src family","AGC protein kinase GRK family","CMGC protein kinase GSK family","Other protein kinase AUR family","CMGC protein kinase DYRK family","Tyrosine protein kinase FGFR fam
ily","CK1 protein kinase CK1 family","CMGC protein kinase CDK family","Tyrosine protein kinase Trk family","TKL protein kinase STKR family","CAMK protein kinase CAMK1 family","CAMK protein kinase DAPK
 family","CMGC protein kinase CLK family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Fak family","AGC protein kinase DMPK family","TKL protein kinase LRRK family","Tyrosine protein 
kinase Ack family","AGC protein kinase PKA family","CAMK protein kinase CAMK2 family","CAMK protein kinase PKD family","STE protein kinase MSN subfamily","AGC protein kinase GRK subfamily","CMGC prote
in kinase Dyrk1 subfamily","CMGC protein kinase CDK8 subfamily","TKL protein kinase STKR Type 1 subfamily","CAMK protein kinase AMPK subfamily","STE protein kinase TAO subfamily","AGC protein kinase R
OCK subfamily","Tyrosine protein kinase SrcA","STE protein kinase PAKB subfamily","Epigenetic regulator","Unclassified protein","Transcription factor",Eraser,Transferase,"Nuclear receptor","Histone de
acetylase","Nuclear hormone receptor subfamily 1","Atypical protein kinase group","HDAC class IIb","Nuclear hormone receptor subfamily 1 group H","STE protein kinase STE11 family","Other protein kinas
e IKK family","Tyrosine protein kinase PDGFR family","CAMK protein kinase DCAMK1 family","AGC protein kinase RSK family","CAMK protein kinase MAPKAPK family","AGC protein kinase PKC family","Other pro
tein kinase PLK family","Other protein kinase NEK family","STE protein kinase STE7 family","Other protein kinase TTK family","TKL protein kinase RAF family","TKL protein kinase RIPK family","Atypical 
protein kinase RIO family","Other protein kinase NAK family","Other protein kinase NKF1 family","Other protein kinase ULK family","Other protein kinase CK2 family","CMGC protein kinase SRPK family","A
GC protein kinase MAST family","CMGC protein kinase MAPK family","TKL protein kinase IRAK family","Tyrosine protein kinase Eph family","Nuclear hormone receptor subfamily 1 group H member 3","CAMK pro
tein kinase PHk family","AGC protein kinase PKG family","CAMK protein kinase MLCK family","TKL protein kinase MLK family","STE protein kinase MEKK2","AGC protein kinase RSK subfamily","CAMK protein ki
nase MNK subfamily","AGC protein kinase PKC eta subfamily","CMGC protein kinase CDK7 subfamily","TKL protein kinase STKR Type 2 subfamily","STE protein kinase YSK subfamily","Atypical protein kinase R
IO1 subfamily","STE protein kinase KHS subfamily","CAMK protein kinase MARK subfamily","Atypical protein kinase RIO3 subfamily","STE protein kinase FRAY subfamily","CMGC protein kinase JNK subfamily",
"AGC protein kinase GEK subfamily","Other protein kinase Nek1","CMGC protein kinase HIPK subfamily","Atypical protein kinase RIO2 subfamily","STE protein kinase ASK","CAMK protein kinase NuaK subfamil
y","CAMK protein kinase QIK subfamily","Other protein kinase PLK2","CAMK protein kinase MELK subfamily","CMGC protein kinase Dyrk2 subfamily","AGC protein kinase MSK subfamily","TKL protein kinase TAK
1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: 
Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","CAMK: Calcium/calmodulin-dependent protein kinases","Other protein kinases","TK: Tyrosine kinase","STE20 family","G protein-coupled rec
eptor kinases (GRKs)","Glycogen synthase kinase (GSK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Casein kinase 1 (CK1) family","Cyclin-dependent kinase (CD
K) family","CAMK-like (CAMKL) family","Death-associated kinase (DAPK) family","CLK family","DMPK family","TKL: Tyrosine kinase-like","Protein kinase A (PKA) family","CAMK1 family","CAMK2 family","Prot
ein kinase D (PKD) family","IKK family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","MSN subfamily","GRK4 subfamily","GSK subfamily","Aurora kinase (Aur) family","Dyrk1 
subfamily","CDK8 subfamily","AMPK subfamily","TAO subfamily","Rho kinase","Leucine-rich repeat kinase (LRRK) family","PAKB subfamily","Abl family","Janus kinase (JakA) family","Type XIV RTKs: RET","Sr
c family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Fak family",
"Ack family","Chromatin modifying enzymes","Nuclear hormone receptors",Atypical,"3.5.1.- Histone deacetylases (HDACs)","Lipid modifying kinases","1H. Liver X receptor-like receptors","STE11 family","D
CAMKL family","RSK family","MAPK-Activated Protein Kinase (MAPKAPK) family","Protein kinase C (PKC) family","Vaccina related kinase (VRK) family","STE7 family","RIO family","1-phosphatidylinositol 4-k
inase family","CASK family","SRPK family","MAST family","Mitogen-activated protein kinases (MAP kinases)","Phosphorylase kinase (PHK) family","Protein kinase G (PKG) family","Myosin Light Chain Kinase
 (MLCK) family","Opsin/rhodopsin kinases","RSK subfamily","MKN subfamily","Eta subfamily","Polo-like kinase (PLK) family","STE20 subfamily","Receptor serine/threonine kinase (RSTK) family","CDK7 subfa
mily","NIMA (never in mitosis gene a)- related kinase (NEK) family","TTK family","RAF family","YSK subfamily","Receptor interacting protein kinase (RIPK) family","RIO1 subfamily","Numb-associated kina
se (NAK) family","KHS subfamily","NKF1 family","Unc-51-like kinase (ULK) family","Casein kinase 2 (CK2) family","MARK subfamily","RIO3 subfamily","FRAY subfamily","JNK subfamily","GEK subfamily","IRE 
family","HIPK subfamily","RIO2 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","NAK family","NuaK subfamily","QIK subfamily","MELK subfamily","Dyrk2 subfamily","MSK subfamily","Mix
ed Lineage Kinase (MLK) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I receptor serine/threonine kinases","Type II receptor serine/threonine kinases","Type XIII RTKs: Ephrin re
ceptor family","TAK1 subfamily"}

> <pathway_reactome>
{"Immune System",Disease,"Cell Cycle","Developmental Biology","Cellular responses to external stimuli","Signal Transduction","Gene expression (Transcription)","Programmed Cell Death","Neuronal System"
,Metabolism,"Innate Immune System","Infectious disease",Mitotic,"Nervous system development","Cellular responses to stress","Signaling by GPCR","Cytokine Signaling in Immune system","Diseases of signa
l transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription",Apoptosis,"Signaling by Non-Receptor Tyrosine Kinases","Tran
smission across Chemical Synapses","Metabolism of lipids","Toll-like Receptor Cascades","Leishmania infection","Mitotic G1 phase and G1/S transition","Axon guidance","Cellular Senescence","HIV Infecti
on","GPCR downstream signalling","SARS-CoV Infections","M Phase","Signaling by Interleukins","Signaling by FGFR in disease","Signaling by WNT in cancer","Signaling by NOTCH1 in Cancer","Signaling by N
TRKs","Generic Transcription Pathway","Caspase activation via extrinsic apoptotic signalling pathway","Signaling by PTK6","Mitotic G2-G2/M phases","Neurotransmitter receptors and postsynaptic signal t
ransmission","Sphingolipid metabolism","Toll Like Receptor 4 (TLR4) Cascade","Parasite infection","G1 Phase","RET signaling","Oxidative Stress Induced Senescence","Host Interactions of HIV factors","G
 alpha (q) signalling events","SARS-CoV-1 Infection","Mitotic Metaphase and Anaphase","Interleukin-2 family signaling","Signaling by FGFR1 in disease","Signaling by AMER1 mutants","Signaling by NOTCH1
 HD+PEST Domain Mutants in Cancer","Signaling by NTRK1 (TRKA)","Transcriptional Regulation by TP53","G0 and Early G1","Caspase activation via Dependence Receptors in the absence of ligand","Semaphorin
 interactions","PTK6 promotes HIF1A stabilization","Signaling by ROBO receptors","G2/M Transition","Activation of NMDA receptors and postsynaptic events","Signaling by NTRK3 (TRKC)","Sphingolipid de n
ovo biosynthesis","MyD88-independent TLR4 cascade","Leishmania phagocytosis","Cyclin D associated events in G1","The role of Nef in HIV-1 replication and disease pathogenesis","SARS-CoV-1 Genome Repli
cation and Transcription","Mitotic Anaphase","Interleukin-15 signaling","FGFR1 mutant receptor activation","Truncations of AMER1 destabilize the destruction complex","Constitutive Signaling by NOTCH1 
HD+PEST Domain Mutants","Activation of TRKA receptors","Regulation of TP53 Activity","Sema4D in semaphorin signaling","Activation of RAC1","Centrosome maturation","Post NMDA receptor activation events
","Activated NTRK3 signals through PI3K","TRIF(TICAM1)-mediated TLR4 signaling","FCGR3A-mediated phagocytosis","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin ad
apters","Replication of the SARS-CoV-1 genome","Separation of Sister Chromatids","Signaling by activated point mutants of FGFR1","NGF-independant TRKA activation","Regulation of TP53 Activity through 
Phosphorylation","Sema4D induced cell migration and growth-cone collapse","Nef and signal transduction","Loss of proteins required for interphase microtubule organization from the centrosome","CREB1 p
hosphorylation through NMDA receptor-mediated activation of RAS signaling","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Nef Mediated CD4 Down-regulation","Loss of Nlp from mitotic centrosom
es","Ras activation upon Ca2+ influx through NMDA receptor","Metabolism of RNA","Vesicle-mediated transport","Muscle contraction","Metabolism of proteins",Autophagy,"Signaling by TGFB family members",
"rRNA processing","Signaling by Hedgehog","Membrane Trafficking","Cardiac conduction","Unfolded Protein Response (UPR)",Macroautophagy,"Post-translational protein modification","Metabolism of carbohyd
rates","MAPK family signaling cascades","Signaling by Rho GTPases","Signaling by KIT in disease","Interferon Signaling","Fcgamma receptor (FCGR) dependent phagocytosis","Signaling by BMP","Apoptotic e
xecution phase","rRNA processing in the nucleus and cytosol","Phospholipid metabolism","Hedgehog 'on' state","trans-Golgi Network Vesicle Budding","Ion homeostasis","IRE1alpha activates chaperones","S
elective autophagy",SUMOylation,"Glycogen metabolism","Clathrin-mediated endocytosis","MAPK1/MAPK3 signaling","RHO GTPase Effectors","G alpha (i) signalling events","Drug resistance of KIT mutants","A
ntiviral mechanism by IFN-stimulated genes","Role of phospholipids in phagocytosis","Interferon alpha/beta signaling","HIV Life Cycle","Mitotic Prophase","Toll Like Receptor 5 (TLR5) Cascade","Apoptot
ic cleavage of cellular proteins","Major pathway of rRNA processing in the nucleolus and cytosol","Transcriptional regulation by RUNX2","PI Metabolism","Golgi Associated Vesicle Biogenesis","EPH-Ephri
n signaling",Mitophagy,"SUMO E3 ligases SUMOylate target proteins","Toll Like Receptor 2 (TLR2) Cascade","Glycogen breakdown (glycogenolysis)","Cargo recognition for clathrin-mediated endocytosis","In
terleukin-1 family signaling","RAF/MAP kinase cascade","Leishmania parasite growth and survival","L1CAM interactions","RHO GTPases activate PAKs","Visual phototransduction","Dasatinib-resistant KIT mu
tants","ISG15 antiviral mechanism","Regulation of IFNA signaling","Late Phase of HIV Life Cycle","Nuclear Envelope Breakdown","MyD88 cascade initiated on plasma membrane","Signalling to ERKs","RUNX2 r
egulates bone development","Synthesis of PIPs at the Golgi membrane","Assembly and cell surface presentation of NMDA receptors","EPHB-mediated forward signaling","Receptor Mediated Mitophagy","EPHA-me
diated growth cone collapse","SUMOylation of intracellular receptors","Toll Like Receptor TLR6:TLR2 Cascade","Interleukin-1 signaling","RAS processing","Anti-inflammatory response favouring Leishmania
 parasite infection","Recycling pathway of L1","The phototransduction cascade","Nuclear Envelope (NE) Reassembly","Transcription of the HIV genome","Activation of NIMA Kinases NEK9",NEK6,NEK7,"MAP kin
ase activation","Prolonged ERK activation events","RUNX2 regulates osteoblast differentiation","Activation of RAC1 downstream of NMDARs","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","CD163 
mediating an anti-inflammatory response","IKK complex recruitment mediated by RIP1",Inactivation,"recovery and regulation of the phototransduction cascade","RSK activation","Initiation of Nuclear Enve
lope (NE) Reformation","HIV Transcription Elongation","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","ARMS-mediated activation","Frs2-mediated activation","MAPK
 targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Tat-mediated elongation of the HIV-1 tra
nscript","Activation of the AP-1 family of transcription factors","CREB phosphorylation","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{JAK1,JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{"RUXOLITINIB (INCB018424",S-Ruxolitinib,SRuxolitinib,941685-37-6,941685376,"S-Ruxolitinib (INCB018424)","SRuxolitinib (INCB018424)","Ruxolitinib (S enantiomer)",(R)-ruxolitinib,(R)ruxolitinib,"Ruxoli
tinib S enantiomer","INCB 18424",ruxolitinib-(S),ruxolitinib(S),PubChem19323,SCHEMBL99225,CHEMBL1287854,DTXSID30678918,BCP15524,EX-A40,EXA40,S2902}

> <pdid>
PD003235

> <targets>
{JAK1,JAK2,JAK}

> <classes>
{}

> <pubchem_cids>
{50878566}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 O   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 S   0  0
   -2.5983   -3.0004    0.0000 O   0  0
   -3.8975   -2.2510    0.0000 O   0  0
   -3.8990   -0.7508    0.0000 N   0  0
   -5.1988   -1.5013    0.0000 C   0  0
   -6.4994   -0.7540    0.0000 C   0  0
   -7.7969   -1.5066    0.0000 C   0  0
   -7.7938   -3.0066    0.0000 C   0  0
   -6.4933   -3.7540    0.0000 C   0  0
   -5.1958   -3.0013    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 11 13  1  0
 13 14  2  0
 13 15  2  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15649

> <plate>
PLATE 005

> <well>
D5

> <supplier_cmpd_name>
Belinostat

> <ctcr_id>
7095

> <supplier_cmpd_id>
T1852

> <smiles>
ONC(=O)/C=C/c1cccc(c1)[S](=O)(=O)Nc2ccccc2

> <pd_targets>
{HDAC6,HDAC8,HDAC9,HDAC1,HDAC4,HDAC3,HDAC11,HDAC2,HDAC7,BRD4,HDAC5,HDAC10}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,Reader,"Histone deacetylase",Bromodomain,"HDAC class IIb","HDAC class I","HDAC class IIa","HDAC class IV"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)","Enzymatic bromodomain-containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle",Disease,"RNA Polymerase II Transcription",Mitotic,"Diseases of signal transduction by growth factor receptors and second messengers","Disorders of Devel
opmental Biology","Infectious disease","Generic Transcription Pathway","M Phase","Signaling by NOTCH1 in Cancer","Disorders of Nervous System Development","SARS-CoV Infections","Transcriptional regula
tion by RUNX2","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Pervasive developmental disorders","Transcriptional Regulation by TP53","Potential therapeutics 
for SARS","RUNX2 regulates bone development","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","RU
NX2 regulates osteoblast differentiation","Separation of Sister Chromatids","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates chondrocyte maturation","Loss of MECP2 binding ability to the NC
oR/SMRT complex","Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
{HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{SW219445-1,SW2194451,EC-000.2286,EC000.2286,Belinostat,414864-00-9,414864009,PXD101,"Belinostat (PXD101)",866323-14-0,866323140,PXD-101,Beleodaq,(E)-N-hydroxy-3-(3-(N-phenylsulfamoyl)phenyl)acrylamid
e,(E)Nhydroxy3(3(Nphenylsulfamoyl)phenyl)acrylamide,NSC726630,N-HYDROXY-3-(3-PHENYLSULFAMOYLPHENYL)ACRYLAMIDE,NHYDROXY3(3PHENYLSULFAMOYLPHENYL)ACRYLAMIDE,"PXD 101",UNII-F4H96P17NZ,UNIIF4H96P17NZ,N-HYD
,NHYD,T1852,758774,S1085,belinostat}

> <pdid>
PD003512

> <targets>
{HDAC,Autophagy}

> <classes>
{Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{6918638}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8934   -5.2570    0.0000 C   0  0
   -5.1924   -6.0071    0.0000 C   0  0
   -6.4914   -5.2571    0.0000 C   0  0
   -7.7905   -6.0071    0.0000 C   0  0
   -6.4915   -3.7571    0.0000 C   0  0
   -7.7897   -3.0041    0.0000 N   0  0
   -7.7876   -1.5032    0.0000 C   0  0
   -6.4873   -0.7555    0.0000 O   0  0
   -9.0858   -0.7502    0.0000 C   0  0
   -9.0859    0.7498    0.0000 C   0  0
  -10.3850    1.4998    0.0000 C   0  0
  -11.6840    0.7498    0.0000 C   0  0
  -12.9831    1.4998    0.0000 O   0  0
  -11.6840   -0.7502    0.0000 C   0  0
  -10.3850   -1.5002    0.0000 C   0  0
   -5.1925   -3.0071    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 22  1  0
 18 29  2  0
 29 13  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15650

> <plate>
PLATE 005

> <well>
D6

> <supplier_cmpd_name>
ZM 336372

> <ctcr_id>
6033

> <supplier_cmpd_id>
T1851

> <smiles>
CN(C)c1cccc(c1)C(=O)Nc2ccc(C)c(NC(=O)c3ccc(O)cc3)c2

> <pd_targets>
{ALOX15,KDM4E,MAPT,IMPA1,CYP3A4,MAPK14,RAF1,RORC,ALDH1A1,LEF,TP53,BRAF,LCK,HSD17B10,CYP1A2,MAPK11,HPGD}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein","Transcription factor",Oxidoreductase,Eraser,Hydrolase,"Cytochrome P450",Kinase,"Nuclear receptor",Protease,"Lysine demethylase","Cytochrome P4
50 family 3","Protein Kinase","Nuclear hormone receptor subfamily 1","Metallo protease","Cytochrome P450 family 1","Jumonji domain-containing","Cytochrome P450 family 3A","CMGC protein kinase group","
TKL protein kinase group","Nuclear hormone receptor subfamily 1 group F","Metallo protease MAE clan","TK protein kinase group","Cytochrome P450 family 1A","Cytochrome P450 3A4","CMGC protein kinase MA
PK family","TKL protein kinase RAF family","Nuclear hormone receptor subfamily 1 group F member 3","Metallo protease M34 family","Tyrosine protein kinase Src family","Cytochrome P450 1A1","CMGC protei
n kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","Chromatin modifying enzymes","Inositol phosphate turnover","Cytochrome P450","Kinases (EC 2.7.x.x)","Catalytic receptors","Nuclear hormone receptors",Lipoxyge
nases,"1.14.11.- Histone demethylases","Inositol monophosphatase","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","1F. Retinoic acid-related orphans","CYP1 family","Pr
ostaglandin synthases","Mitogen-activated protein kinases (MAP kinases)","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","p38 subfamily","RAF family","Non-receptor tyrosine kinases (nRTKs)","Src fam
ily"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Immune System","Signal Transduction","Gene expression (Transcription)",Disease,"Cell Cycle","Metabolism of lipids","Transmission across Chemical Synapses","Inositol phos
phate metabolism","Innate Immune System","MAPK family signaling cascades","RNA Polymerase II Transcription","Biological oxidations","Infectious disease","Cell Cycle Checkpoints","Signaling by Receptor
 Tyrosine Kinases","Metabolism of amino acids and derivatives","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Synthesis 
of IP2",IP,"and Ins in the cytosol","Toll-like Receptor Cascades","MAPK1/MAPK3 signaling","Generic Transcription Pathway","Phase I - Functionalization of compounds","Uptake and actions of bacterial to
xins","G1/S DNA Damage Checkpoints","Signaling by NTRKs","HIV Infection","Branched-chain amino acid catabolism","Biosynthesis of DPA-derived SPMs","Activation of NMDA receptors and postsynaptic events
","Biosynthesis of DHA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","RAF/MAP kinase cascade","Transcriptional regulation by RUNX3","Ethanol oxidation","Uptake and function of anthrax toxins","p
53-Dependent G1/S DNA damage checkpoint","Signaling by NTRK1 (TRKA)","Host Interactions of HIV factors","Cytochrome P450 - arranged by substrate type","Biosynthesis of DPAn-3 SPMs","Post NMDA receptor
 activation events","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","Negative regulation of MAPK pathway","RUNX3 Regulates Immune Response and Cell Migration","p53-Dependent G1
 DNA Damage Response","Signalling to ERKs","The role of Nef in HIV-1 replication and disease pathogenesis",Xenobiotics,"Biosynthesis of D-series resolvins","Biosynthesis of DPAn-3-derived protectins a
nd resolvins","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","MAP kinase activation","Negative feedback regulation of MAPK pathway","Stabilization of p53","Prolonged ERK
 activation events","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAPK targets/ N
uclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","ARMS-mediated activation","Nef Mediated CD4 Down-regulation","Activation of the AP-1 family of transcription f
actors"}

> <broad_targets>
{BRAF,LCK,MAPK14,RAF1}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{"ZM 336372",208260-29-1,208260291,ZM336372,ZM-336372,3-(dimethylamino)-N-(3-(4-hydroxybenzamido)-4-methylphenyl)benzamide,3(dimethylamino)N(3(4hydroxybenzamido)4methylphenyl)benzamide,N-(5-(3-Dimethy
laminobenzamido)-2-methylphenyl)-4-hydroxybenzamide,N(5(3Dimethylaminobenzamido)2methylphenyl)4hydroxybenzamide,CHEMBL186526,3-(dimethylamino)-N-(3-((4-hydroxybenzoyl)amino)-4-,3(dimethylamino)N(3((4h
ydroxybenzoyl)amino)4,T1851,1321,S2720,EI-298}

> <pdid>
PD010695

> <targets>
{Raf,cRAF}

> <classes>
{MAPK}

> <pubchem_cids>
{5730}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8891   -6.7578    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4939    0.7411    0.0000 N   0  0
   -6.4894   -0.7597    0.0000 C   0  0
   -7.7846   -1.5163    0.0000 C   0  0
   -7.7770   -3.0163    0.0000 C   0  0
   -6.4742   -3.7597    0.0000 C   0  0
   -5.1790   -3.0032    0.0000 C   0  0
   -5.1866   -1.5032    0.0000 C   0  0
   -6.4667   -5.2605    0.0000 N   0  0
   -7.7607   -6.0192    0.0000 C   0  0
   -7.7507   -7.5192    0.0000 C   0  0
   -6.4467   -8.2605    0.0000 O   0  0
   -5.1527   -7.5019    0.0000 C   0  0
   -5.1627   -6.0019    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  3  0
  2  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 22 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
 17 31  2  0
 31 13  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15651

> <plate>
PLATE 005

> <well>
D7

> <supplier_cmpd_name>
Momelotinib

> <ctcr_id>
6247

> <supplier_cmpd_id>
T1849

> <smiles>
O=C(NCC#N)c1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2

> <pd_targets>
{JAK2,JAK3,ACVR1,JAK1,BMPR1B,TGFBR1,BMPR1A}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","Tyrosine protein kinase JakA family","TKL protein kinase STKR family","TKL protein kinase STKR1","TKL protein kina
se STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","Non-receptor tyrosine kinases (nRTKs)","Receptor serine/threonine kinase (RSTK) family","Janus ki
nase (JakA) family","Type I receptor serine/threonine kinases"}

> <pathway_reactome>
{"Cell Cycle","Immune System","Signal Transduction",Disease,Mitotic,"Cytokine Signaling in Immune system","Signaling by TGFB family members","Diseases of signal transduction by growth factor receptors
 and second messengers","Mitotic G1 phase and G1/S transition","Signaling by Interleukins","Interferon Signaling","Signaling by BMP","Signaling by TGF-beta Receptor Complex in Cancer","G1 Phase","Inte
rleukin-2 family signaling","Antiviral mechanism by IFN-stimulated genes","Loss of Function of SMAD2/3 in Cancer","Cyclin D associated events in G1","Interleukin-15 signaling","ISG15 antiviral mechani
sm","SMAD2/3 Phosphorylation Motif Mutants in Cancer"}

> <broad_targets>
{JAK1,JAK2,JAK3}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{Cyt387,1056634-68-4,1056634684,MOMELOTINIB,Cyt-387,"CYT 387",N-(Cyanomethyl)-4-(2-((4-morpholinophenyl)amino)pyrimidin-4-yl)benzamide,N(Cyanomethyl)4(2((4morpholinophenyl)amino)pyrimidin4yl)benzamide
,"CYT 11387",UNII-6O01GMS00P,UNII6O01GMS00P,N-(cyanomethyl)-4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide,N(cyanomethyl)4(2(4morpholinophenylamino)pyrimidin4yl)benzamide,"Momelotinib free bas
",T1849,S2219,SY-CYT387,Momelotinib,momelotinib,CYT387}

> <pdid>
PD003635

> <targets>
{JAK2,JAK1,JAK,Apoptosis,Autophagy}

> <classes>
{JAK/STAT,Apoptosis,Autophagy,Epigenetics,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{25062766}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 20  0  0  0  0            999 V2000
   -0.6810   -9.3430    0.0000 C   0  0
   -0.2222   -7.9149    0.0000 N   0  0
   -1.1079   -6.7042    0.0000 C   0  0
   -2.6079   -6.7003    0.0000 O   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.1979   -5.9466    0.0000 N   0  0
    1.2028   -7.4466    0.0000 C   0  0
    2.4192   -8.3243    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  7  1  0
 15 10  1  0
  5 16  1  0
 16 17  1  0
 17  2  1  0
 17 18  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15652

> <plate>
PLATE 005

> <well>
D8

> <supplier_cmpd_name>
Necrostatin-1

> <ctcr_id>
2539

> <supplier_cmpd_id>
T1847

> <smiles>
CN1C(=O)C(Cc2c[nH]c3ccccc23)NC1=S

> <pd_targets>
{SMN1,TP53,GLA,FFP,CYP3A4,MAPT,RIPK1,THRB,RORC,IDO1,HSD17B10}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor",Enzyme,"Other cytosolic protein",Reader,Hydrolase,Transferase,"Cytochrome P450",Kinase,"Nuclear receptor",Oxidoreductase,"Methyl-lysine/arginine binding 
protein","Cytochrome P450 family 3","Protein Kinase","Nuclear hormone receptor subfamily 1","Tudor domain","Cytochrome P450 family 3A","TKL protein kinase group","Nuclear hormone receptor subfamily 1 
group A","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 3A4","TKL protein kinase RIPK family","Nuclear hormone receptor subfamily 1 group A member 2","Nuclear hormone receptor subfami
ly 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Catalytic receptors","Nuclear hormone receptors","1.13.11.- Dioxygenases","CYP3 family","Receptor kinases","1A. Thyroid hormone receptors","1F. Retinoic acid-rela
ted orphans","TKL: Tyrosine kinase-like","Receptor interacting protein kinase (RIPK) family"}

> <pathway_reactome>
{"Metabolism of RNA","Cell Cycle",Metabolism,"Neuronal System","Immune System","Metabolism of proteins","Gene expression (Transcription)","Metabolism of non-coding RNA","Cell Cycle Checkpoints","Metab
olism of lipids","Transmission across Chemical Synapses","Innate Immune System","Post-translational protein modification","RNA Polymerase II Transcription","Metabolism of amino acids and derivatives",
"snRNP Assembly","G1/S DNA Damage Checkpoints","Sphingolipid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","
Toll-like Receptor Cascades",SUMOylation,"Generic Transcription Pathway","Tryptophan catabolism","Branched-chain amino acid catabolism","p53-Dependent G1/S DNA damage checkpoint","Glycosphingolipid me
tabolism","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 4 (TLR4) Cascade","SUMO E3 ligases SUMOylate target proteins","Transcriptional r
egulation by RUNX3","p53-Dependent G1 DNA Damage Response","Biosynthesis of maresins","Post NMDA receptor activation events","MyD88-independent TLR4 cascade","SUMOylation of intracellular receptors","
RUNX3 Regulates Immune Response and Cell Migration","Stabilization of p53","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","TRIF(TICAM1)-mediated TLR4 signaling","Autodeg
radation of the E3 ubiquitin ligase COP1","IKK complex recruitment mediated by RIP1"}

> <broad_targets>
{RIPK1}

> <broad_moa>
{"RIPK inhibitor"}

> <synonyms>
{Necrostatin-1,Necrostatin1,4311-88-0,4311880,MTH-DL-Tryptophan,MTHDLTryptophan,Nec-1,Nec1,"Necrostatin 1",5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidazolidinone,5(1Hindol3ylmethyl)3methyl2thioxo
4Imidazolidinone,5-((1H-indol-3-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one,5((1Hindol3yl)methyl)3methyl2thioxoimidazolidin4one,MTH-trp,MTHtrp,methyl-thiohydantoin-tryptophan,methylthiohydantointry
ptophan,"Necrostatin-1 inactive","Necrostatin1 inactive",T1847,N9037,"EMD 480065",S8037,necrostatin-1,480065}

> <pdid>
PD003691

> <targets>
{Necrostatin-1,TNF-alpha,Autophagy,Ferroptosis,"Indoleamine 2,3-Dioxygenase (IDO)","RIP kinase"}

> <classes>
{Apoptosis,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{2828334}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
   -6.4954    0.7438    0.0000 N   0  0
   -7.7969    1.4897    0.0000 C   0  0
   -9.0936    0.7355    0.0000 C   0  0
   -9.0888   -0.7645    0.0000 O   0  0
   -7.7874   -1.5103    0.0000 C   0  0
   -6.4907   -0.7562    0.0000 C   0  0
   -3.9038    5.2491    0.0000 N   0  0
   -2.6072    6.0033    0.0000 C   0  0
   -2.6120    7.5033    0.0000 C   0  0
   -3.9134    8.2492    0.0000 O   0  0
   -5.2100    7.4951    0.0000 C   0  0
   -5.2053    5.9951    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2985    3.7517    0.0000 F   0  0
   -1.2993    3.7504    0.0000 F   0  0
   -0.0007    4.5008    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 10 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
  4 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15653

> <plate>
PLATE 005

> <well>
D9

> <supplier_cmpd_name>
Buparlisib

> <ctcr_id>
6201

> <supplier_cmpd_id>
T1827

> <smiles>
Nc1cc(c(cn1)c2cc(nc(n2)N3CCOCC3)N4CCOCC4)C(F)(F)F

> <pd_targets>
{PIK3CD,PIK3CG,PI4KB,PIK3R1,PIK3CA,MTOR,PIK3C3,PIK3CB,PIK3C2B,PRKDC,PIK3R5,PIK3R2,PIK3R3}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Glycerophospholipid turnover","Lipid modifying kinases","Phosphatidylinositol kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","1-phosphatidyl
inositol 4-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Phosphatidylinositol 3-kinase family","Phosphatidylinositol-4-phosphate 3-kinase family","FRAP subfamily","Ot
her PIKK family kinases"}

> <pathway_reactome>
{"Immune System",Metabolism,Disease,"Gene expression (Transcription)","Signal Transduction","Cytokine Signaling in Immune system","Metabolism of lipids","Diseases of signal transduction by growth fact
or receptors and second messengers","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Innate Immune System","Signaling by Interleukins","Phospholipid metabolism","Signaling b
y FGFR in disease","Generic Transcription Pathway","Signaling by Insulin receptor","Cytosolic sensors of pathogen-associated DNA",Interleukin-3,"Interleukin-5 and GM-CSF signaling","PI Metabolism","Si
gnaling by FGFR1 in disease","Transcriptional Regulation by TP53","Insulin receptor signalling cascade","STING mediated induction of host immune responses","Interleukin receptor SHC signaling","Synthe
sis of PIPs at the plasma membrane","Synthesis of PIPs at the Golgi membrane","FGFR1 mutant receptor activation","Regulation of TP53 Activity","IRS-mediated signalling","IRF3-mediated induction of typ
e I IFN","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","PI3K Cascade","Regulation of TP53 Degradation"}

> <broad_targets>
{PIK3CA,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{"KM120 (NVPBKM120",NCGC00262604-01,NCGC0026260401,NCGC00262604-08,NCGC0026260408,AC-32077,AC32077,Buparlisib,944396-07-0,944396070,NVP-BKM120,NVPBKM120,BKM120,"5-(2,6-dimorpholinopyrimidin-4-yl)-4-(t
rifluoromethyl)pyridin-2-amine","5(2,6dimorpholinopyrimidin4yl)4(trifluoromethyl)pyridin2amine",NVP-BKM-120,BKM-120,"BKM 120",1202777-78-3,1202777783,UNII-0ZM2Z182GD,UNII0ZM2Z182GD,"NVP-BKM 120","NVPB
KM 120",BKM12,T1827,S2247,"BKM120 (NVP-BKM120)","BKM120 (NVP-BKM120, Buparlisib)"}

> <pdid>
PD010807

> <targets>
{PI3K}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{16654980}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 38 42  0  0  0  0            999 V2000
   10.7421   -1.8376    0.0000 C   0  0
    9.2552   -2.0352    0.0000 N   0  0
    8.6832   -3.4219    0.0000 C   0  0
    8.3394   -0.8462    0.0000 C   0  0
    6.8516   -1.0438    0.0000 C   0  0
    5.9346    0.1432    0.0000 C   0  0
    4.4481   -0.0574    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    4.7956   -2.6321    0.0000 C   0  0
    6.2821   -2.4315    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -6.4994   -0.7589    0.0000 N   0  0
   -7.7969   -1.5132    0.0000 C   0  0
   -7.7919   -3.0132    0.0000 O   0  0
   -9.0994   -0.7676    0.0000 C   0  0
  -10.3973   -1.5196    0.0000 C   0  0
  -11.6975   -0.7717    0.0000 C   0  0
  -11.6999    0.7283    0.0000 C   0  0
  -10.4021    1.4804    0.0000 C   0  0
   -9.1018    0.7325    0.0000 C   0  0
  -12.9960   -1.5242    0.0000 C   0  0
  -12.9946   -3.0242    0.0000 F   0  0
  -14.2960   -0.7759    0.0000 F   0  0
  -14.2942   -2.2757    0.0000 F   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 12  1  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 16 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 28 32  1  0
 32 33  1  0
 32 34  1  0
 32 35  1  0
 22 36  2  0
 36 37  1  0
 37 38  2  0
 38 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15654

> <plate>
PLATE 005

> <well>
D10

> <supplier_cmpd_name>
B-Raf IN 1

> <ctcr_id>
11425

> <supplier_cmpd_id>
T1845

> <smiles>
CN(C)Cc1ccc(cc1)c1c2nccc(n2nc1)c1cc(NC(=O)c2cc(ccc2)C(F)(F)F)ccc1

> <pd_targets>
{MAPK14,RAF1,BRAF}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","TKL protein kinase group","CMGC protein kinase MAPK family","TKL protein kinase RAF family","CMGC protein kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","Mitogen-activated protein kinases (MAP kinases)","TKL: Tyrosine kina
se-like","p38 subfamily","RAF family"}

> <pathway_reactome>
{"Immune System","Signal Transduction","Innate Immune System","MAPK family signaling cascades","Signaling by Receptor Tyrosine Kinases","Toll-like Receptor Cascades","MAPK1/MAPK3 signaling","Signaling
 by NTRKs","Toll Like Receptor 5 (TLR5) Cascade","RAF/MAP kinase cascade","Signaling by NTRK1 (TRKA)","MyD88 cascade initiated on plasma membrane","Negative regulation of MAPK pathway","Signalling to 
ERKs","MAP kinase activation","Negative feedback regulation of MAPK pathway","Prolonged ERK activation events","MAPK targets/ Nuclear events mediated by MAP kinases","ARMS-mediated activation","Activa
tion of the AP-1 family of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"RAF IN","B-Raf IN 1","BRaf IN 1",950736-05-7,950736057,B-Raf-IN-1,BRafIN1,CHEMBL1087397,MDK36057,SCHEMBL4655705,C29H24F3N5O,AOB6013,BCP28151,EX-A2630,EXA2630,3507AH,BDBM50312057,MFCD25977055,ZINC446
69088,AKOS026750232,CS-3238,CS3238,NCGC00390594-01,NCGC0039059401,HY-18227,HY18227,S6538,Q27456815,"B-Raf-IN 1; B-Raf-IN1","BRafIN 1; BRafIN1",T1845}

> <pdid>
PD055857

> <targets>
{B-Raf,C-Raf}

> <classes>
{MAPK}

> <pubchem_cids>
{24884503}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 43 47  0  0  0  0            999 V2000
    9.0964   -0.7233    0.0000 C   0  0
    7.8010   -1.4797    0.0000 O   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 S   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3015   -2.2494    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0095   -6.0029    0.0000 C   0  0
   -0.0126   -7.5029    0.0000 C   0  0
   -1.3132   -8.2502    0.0000 C   0  0
   -1.3193   -9.7510    0.0000 N   0  0
   -2.6217  -10.4969    0.0000 C   0  0
   -3.9179   -9.7420    0.0000 O   0  0
   -2.6279  -11.9977    0.0000 C   0  0
   -3.9284  -12.7451    0.0000 C   0  0
   -3.9316  -14.2451    0.0000 C   0  0
   -2.6341  -14.9978    0.0000 C   0  0
   -2.6372  -16.4978    0.0000 C   0  0
   -1.3335  -14.2505    0.0000 C   0  0
   -0.0337  -15.0010    0.0000 O   0  0
    1.2658  -14.2518    0.0000 C   0  0
   -1.3304  -12.7505    0.0000 C   0  0
   -2.6106   -7.4975    0.0000 C   0  0
   -2.6076   -5.9975    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    5.1882    3.0099    0.0000 O   0  0
    6.4857    3.7625    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  2  0
 16  7  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  2  0
 18 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 33 36  2  0
 36 28  1  0
 24 37  1  0
 37 38  2  0
 38 21  1  0
  5 39  2  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 40 43  2  0
 43  3  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15655

> <plate>
PLATE 005

> <well>
D11

> <supplier_cmpd_name>
Voxtalisib Analogue

> <ctcr_id>
3041

> <supplier_cmpd_id>
T1826

> <smiles>
COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c4ccc(NC(=O)c5ccc(C)c(OC)c5)cc4)cc(OC)c1

> <pd_targets>
{PIK3CD,MTOR,PRKDC,PIK3CA,MLST8,RPTOR,PIK3CB,PIK3CG}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfami
ly","Other PIKK family kinases"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)",Disease,"Signal Transduction",Metabolism,"Cytokine Signaling in Immune system","RNA Polymerase II Transcription","Innate Immune System","Diseases of 
signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","Signaling by Interleukins","Generic Transcription Pathway","Cytos
olic sensors of pathogen-associated DNA","Signaling by FGFR in disease","Signaling by Insulin receptor","Phospholipid metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Transcriptional Re
gulation by TP53","STING mediated induction of host immune responses","Signaling by FGFR1 in disease","Insulin receptor signalling cascade","PI Metabolism","Interleukin receptor SHC signaling","Regula
tion of TP53 Activity","IRF3-mediated induction of type I IFN","FGFR1 mutant receptor activation","IRS-mediated signalling","Synthesis of PIPs at the plasma membrane","Regulation of TP53 Expression an
d Degradation","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{NSC-768100,NSC768100,NSC-800992,NSC800992,"Voxtalisib (SAR245409, XL765)",XL765,1349796-36-6,1349796366,1123889-87-1,1123889871,XL-765,PI3K-IN-1,PI3KIN1,"Voxtalisib Analogue","XL 765","SAR245409 (XL7
65)",Voxtalisib-Analog,VoxtalisibAnalog,CHEBI:71958,"Exelixis pI3K inhibitor","XL-147 derivative 1","XL147 derivative 1",CS-,CS,T1826,S1523}

> <pdid>
PD003336

> <targets>
{PI3K,mTOR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{49867926}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 33  0  0  0  0            999 V2000
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -5.2096    5.9863    0.0000 N   0  0
   -5.2172    7.4863    0.0000 C   0  0
   -6.5200    8.2297    0.0000 C   0  0
   -7.8153    7.4732    0.0000 O   0  0
   -7.8077    5.9732    0.0000 C   0  0
   -6.5049    5.2298    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 10 24  2  0
 24 25  1  0
 25 26  2  0
 26  8  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15656

> <plate>
PLATE 005

> <well>
E2

> <supplier_cmpd_name>
Reversine

> <ctcr_id>
11426

> <supplier_cmpd_id>
T1825

> <smiles>
C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2c1[nH]cn2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{AURKB,INCENP,MAP2K1}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{Reversine,656820-32-5,656820325,2-(4-Morpholinoanilino)-6-cyclohexylaminopurine,2(4Morpholinoanilino)6cyclohexylaminopurine,UNII-Z499CLJ023,UNIIZ499CLJ023,CHEMBL188343,"N6-cyclohexyl-N2-(4-morpholino
phenyl)-7H-purine-2,6-diamine","N6cyclohexylN2(4morpholinophenyl)7Hpurine2,6diamine",CHEBI:70723,Z499CLJ023,MFCD07784513,N~6~-Cyclohexyl-N~2~-(4-Morpholin-4-Ylphenyl)-9,N~6~CyclohexylN~2~(4Morpholin4Y
lphenyl)9,T1825}

> <pdid>

> <targets>
{A3,"Aurora A","Aurora B","Aurora C"}

> <classes>
{"Cell Cycle/Checkpoint","GPCR/G Protein",Chromatin/Epigenetic}

> <pubchem_cids>
{210332}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1887   -6.0105    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 17 25  1  0
 25  8  1  0
 25 26  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15657

> <plate>
PLATE 005

> <well>
E3

> <supplier_cmpd_name>
IOX 2

> <ctcr_id>
1287

> <supplier_cmpd_id>
T1823

> <smiles>
OC(=O)CNC(=O)C1=C(O)c2ccccc2N(Cc3ccccc3)C1=O

> <pd_targets>
{EGLN1,KDM2A,KDM5C,A085R}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein",Oxidoreductase,Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Prolyl hydroxylases","Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Chromatin organization","Cellular responses to stress","Chromatin modifying enzymes","Cellular response to hypoxia","HDMs demethylate histones","Oxygen-depen
dent proline hydroxylation of Hypoxia-inducible Factor Alpha"}

> <broad_targets>
{EGLN1,KDM2A,KDM5C}

> <broad_moa>
{"hypoxia inducible factor inhibitor"}

> <synonyms>
{IOX2,931398-72-0,931398720,"IOX 2",IOX2(Glycine),"2-(1-benzyl-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamido)acetic acid","2(1benzyl4hydroxy2oxo1,2dihydroquinoline3carboxamido)acetic acid",CHEMBL
3186774,"2-((1-benzyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino)acetic acid","2((1benzyl4hydroxy2oxoquinoline3carbonyl)amino)acetic acid","IOX2 sodium salt",IOX-2,cc-642,cc642,MLS006011057,GTPL82,T182
3,S2919}

> <pdid>
PD000008

> <targets>
{HIF}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{54685215}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 39 45  0  0  0  0            999 V2000
    2.3114    6.1476    0.0000 C   0  0
    3.7495    6.5741    0.0000 C   0  0
    4.8379    5.5420    0.0000 C   0  0
    4.4886    4.0883    0.0000 C   0  0
    3.0502    3.6568    0.0000 C   0  0
    1.9618    4.6889    0.0000 C   0  0
    5.4967    2.9766    0.0000 N   0  0
    6.9879    3.1386    0.0000 C   0  0
    7.6028    1.7704    0.0000 N   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    7.7980   -1.4850    0.0000 N   0  0
    7.8010   -2.9858    0.0000 C   0  0
    9.1000   -3.7359    0.0000 C   0  0
    9.1000   -5.2359    0.0000 C   0  0
    7.8010   -5.9859    0.0000 C   0  0
    6.5020   -5.2359    0.0000 C   0  0
    6.5020   -3.7359    0.0000 C   0  0
    7.8010   -7.4867    0.0000 N   0  0
    9.0988   -8.2389    0.0000 C   0  0
    9.0965   -9.7389    0.0000 C   0  0
    7.7962  -10.4868    0.0000 O   0  0
    6.4984   -9.7347    0.0000 C   0  0
    6.5008   -8.2347    0.0000 C   0  0
    5.2007   -1.4909    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8939    0.7546    0.0000 N   0  0
    5.1903    1.5091    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 11 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 28  1  0
 37 32  1  0
 26 38  1  0
 38 39  2  0
 39  7  1  0
 39 10  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15658

> <plate>
PLATE 005

> <well>
E4

> <supplier_cmpd_name>
Purmorphamine

> <ctcr_id>
1205

> <supplier_cmpd_id>
T1810

> <smiles>
C1CCC(CC1)n2cnc3c(Nc4ccc(cc4)N5CCOCC5)nc(Oc6cccc7ccccc67)nc23

> <pd_targets>
{SMO,SHH}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein","Frizzled family G protein-coupled receptor","Smoothened receptor (frizzled family GPCR)"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Class Frizzled GPCRs"}

> <pathway_reactome>
{"Organelle biogenesis and maintenance",Disease,"Cilium Assembly","Diseases of signal transduction by growth factor receptors and second messengers","Cargo trafficking to the periciliary membrane","Hh
 mutants abrogate ligand secretion","BBSome-mediated cargo-targeting to cilium","HHAT G278V doesn't palmitoylate Hh-Np"}

> <broad_targets>
{SMO}

> <broad_moa>
{"smoothened receptor agonist"}

> <synonyms>
{Purmorphamine,483367-10-8,483367108,2-(1-Naphthoxy)-6-(4-morpholinoanilino)-9-cyclohexylpurine,2(1Naphthoxy)6(4morpholinoanilino)9cyclohexylpurine,"Shh Signaling Antagonist VI",UNII-PB12M2F8KY,UNIIPB
12M2F8KY,PB12M2F8KY,CHEMBL1221984,CHEBI:63053,9-cyclohexyl-N-(4-morpholinophenyl)-2-(naphthalen-1-yloxy)-9H-purin-6-ami,9cyclohexylN(4morpholinophenyl)2(naphthalen1yloxy)9Hpurin6ami,T1810,10009634,S30
42,purmorphamine}

> <pdid>
PD003344

> <targets>
{Hedgehog/Smoothened,Autophagy,Smo}

> <classes>
{Stem Cells & Wnt,Autophagy,Stem Cell/Wnt}

> <pubchem_cids>
{5284329}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 33  0  0  0  0            999 V2000
    6.4833   -9.7648    0.0000 C   0  0
    6.4855   -8.2648    0.0000 N   0  0
    7.7858   -7.5171    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 S   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4964   -0.7591    0.0000 O   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
  -11.6983    3.7390    0.0000 C   0  0
  -12.9978    2.9898    0.0000 C   0  0
  -11.6978    5.2390    0.0000 C   0  0
  -12.9970    4.4896    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 14 31  1  0
 31 32  2  0
 32 11  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15659

> <plate>
PLATE 005

> <well>
E5

> <supplier_cmpd_name>
Tenovin-6

> <ctcr_id>
7941

> <supplier_cmpd_id>
T1818

> <smiles>
CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1

> <pd_targets>
{SIRT2,SIRT1,SIRT3}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class III"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Mitotic,"RNA Polymerase II Transcription","M Phase","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","FOXO-mediated transcription","Mito
tic Anaphase","Regulation of FOXO transcriptional activity by acetylation","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Nuclear Envelope (NE) Reassembly","Initiati
on of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SIRT1,SIRT2,SIRT3}

> <broad_moa>
{"SIRT inhibitor"}

> <synonyms>
{ENOVIN,Tenovin-6,Tenovin6,1011557-82-6,1011557826,"Tenovin 6",CHEMBL595354,CHEBI:77729,MFCD11976906,C25H34N4O2S,"Tnv 6",SCHEMBL907478,"US8501991, Tenovin 6",BDBM99917,AOB3690,DTXSID50647242,EX-A350,E
XA350,HMS3648C14,HMS3652F12,BCP08547,2064AH,ZINC43196009,AKOS026750220,CCG-20869,CCG20869,T1818,S4900}

> <pdid>
PD010667

> <targets>
{Autophagy,Dihydroorotate Dehydrogenase,MDM-2/p53,Sirtuin}

> <classes>
{Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics,Metabolic Enzyme/Protease}

> <pubchem_cids>
{24772043}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 50 51  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2990   -3.7500    0.0000 N   0  0
    2.5981   -3.0000    0.0000 C   0  0
    2.5981   -1.5000    0.0000 N   0  0
   -1.2982   -3.7531    0.0000 N   0  0
   -1.2961   -5.2539    0.0000 C   0  0
   -2.5925   -6.0085    0.0000 C   0  0
   -2.5873   -7.5085    0.0000 C   0  0
   -1.2857   -8.2540    0.0000 C   0  0
    0.0108   -7.4995    0.0000 C   0  0
    0.0056   -5.9995    0.0000 C   0  0
   -1.2805   -9.7540    0.0000 F   0  0
   -3.8837   -8.2630    0.0000 Cl  0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 N   0  0
  -10.3996    1.4837    0.0000 C   0  0
   -9.0964   -0.7636    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0  1  0  0  0
    1.4469    5.2298    0.0000 C   0  0
    2.9152    5.5365    0.0000 C   0  0
    3.6607    4.2349    0.0000 O   0  0
    2.6531    3.1237    0.0000 C   0  0
   10.0607   -1.7341    0.0000 C   0  0
    8.7607   -2.4841    0.0000 C   0  0
    8.7592   -3.9849    0.0000 C   0  0
    7.4600   -4.7345    0.0000 O   0  0
   10.0578   -4.7358    0.0000 O   0  0
   11.3606   -2.4841    0.0000 C   0  0
   12.6599   -1.7345    0.0000 O   0  0
   11.3606   -3.9841    0.0000 O   0  0
   19.0606   -1.7341    0.0000 C   0  0
   17.7606   -2.4841    0.0000 C   0  0
   17.7592   -3.9849    0.0000 C   0  0
   16.4599   -4.7345    0.0000 O   0  0
   19.0577   -4.7358    0.0000 O   0  0
   20.3606   -2.4841    0.0000 C   0  0
   21.6599   -1.7345    0.0000 O   0  0
   20.3606   -3.9841    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  1  1  0
  7 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 14 19  1  0
  4 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
  3 29  1  0
 30 29  1  1
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 30  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 35 40  1  0
 40 41  2  0
 40 42  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 45 47  1  0
 43 48  1  0
 48 49  2  0
 48 50  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15660

> <plate>
PLATE 005

> <well>
E6

> <supplier_cmpd_name>
Afatinib Dimaleate

> <ctcr_id>
11187

> <supplier_cmpd_id>
T1773

> <smiles>
c12cc(c(cc1c(ncn2)Nc1cc(c(cc1)F)Cl)NC(=O)/C=C/CN(C)C)O[C@H]1CCOC1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"AFATINIB DIMALEATE",850140-73-7,850140737,"Afatinib (diMaleate)",Gilotrif,"Afatinib maleate",UNII-V1T5K7RZ0B,UNIIV1T5K7RZ0B,"Afatinib dimaleate (USAN)",V1T5K7RZ0B,"BIBW 2992MA2","Afatinib (BIBW2992)
 Dimaleate","BIBW2992 MA2",CHEBI:76003,"850140-73-7 (dimalea","850140737 (dimalea",T1773,"Afatinib Dimaleate"}

> <pdid>

> <targets>
{EGFR,HER2,"EGFR (L858R)","EGFR (L858R/T790M)","EGFR (wt)"}

> <classes>
{Angiogenesis,"JAK/STAT signaling","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{15606394}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 25  0  0  0  0            999 V2000
   -0.2237   -5.5078    0.0000 O   0  0
   -0.6890   -4.0818    0.0000 N   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    4.0417   -4.4401    0.0000 C   0  0
    4.9463   -3.2436    0.0000 O   0  0
    4.4672   -5.8785    0.0000 N   0  0
    3.2312   -6.7270    0.0000 C   0  0
    3.0348   -8.2141    0.0000 C   0  0
    1.6487   -8.7875    0.0000 C   0  0
    1.4524  -10.2746    0.0000 Br  0  0
    0.4591   -7.8739    0.0000 C   0  0
    0.6554   -6.3869    0.0000 C   0  0
    2.0415   -5.8134    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 15  5  1  0
 15  9  1  0
  4 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  3  1  0
 22 17  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15661

> <plate>
PLATE 005

> <well>
E7

> <supplier_cmpd_name>
6-BIO

> <ctcr_id>
12

> <supplier_cmpd_id>
T1917

> <smiles>
ON=C1C(=C2C(=O)Nc3cc(Br)ccc23)Nc4ccccc14

> <pd_targets>
{AURKB,CDK5,CLK1,ALOX5,GSK3A,GSK3B,DYRK2,DYRK1A,GSK3-BETA,CDK5R1,CDK1,AURKA,EIF2AK2,CCNA2,CDK2,AURKC,CSNK1A1,NR1H4,CCNB1,CCNB2,CCNB3,CCND1,CDK4,CCNH,CDK7,MNAT1,CCNE1,CCNT1,CDK9}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Kinase,Oxidoreductase,"Nuclear receptor","Protein Kinase","Nuclear hormone receptor subfamily 1","Other protein kinase group","CMGC protein kinase group","CK1 protein ki
nase group","Nuclear hormone receptor subfamily 1 group H","Other protein kinase AUR family","CMGC protein kinase CDK family","CMGC protein kinase CLK family","CMGC protein kinase GSK family","CMGC pr
otein kinase DYRK family","Other protein kinase PEK family","CK1 protein kinase CK1 family","Nuclear hormone receptor subfamily 1 group H member 4","CMGC protein kinase CDK5 subfamily","CMGC protein k
inase Dyrk2 subfamily","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase CDC2 subfamily","Other protein kinase PKR","CMGC protein kinase CDK7 subfamily","CMGC protein kinase CDK9 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Eicosanoid turnover","Nuclear hormone receptors","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Lipoxygenases,"CK1:
 Casein kinase 1","1H. Liver X receptor-like receptors","Other protein kinases","Cyclin-dependent kinase (CDK) family","CLK family","Glycogen synthase kinase (GSK) family","Dual-specificity tyrosine-(
Y)-phosphorylation regulated kinase (DYRK) family","Casein kinase 1 (CK1) family","Aurora kinase (Aur) family","CDK5 subfamily","GSK subfamily","Dyrk2 subfamily","Dyrk1 subfamily","CDK1 subfamily","PE
K family","Other PEK family kinases"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Metabolism,Disease,Mitotic,"RNA Polymerase II Transcription","Metabolism of lipids","Infectious disease","Diseases of signal transduction by growth fact
or receptors and second messengers","M Phase","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","SARS-CoV Infections","Mitotic G1 phase and G1/S transition","
Regulation of mitotic cell cycle","Influenza Infection","Signaling by WNT in cancer","Metabolism of steroids","Mitotic Metaphase and Anaphase","Transcriptional Regulation by TP53","Biosynthesis of DPA
-derived SPMs","SARS-CoV-1 Infection","G0 and Early G1","APC/C-mediated degradation of cell cycle proteins","NS1 Mediated Effects on Host Pathways","Signaling by AMER1 mutants","Bile acid and bile sal
t metabolism","Mitotic Anaphase","Regulation of TP53 Activity","Biosynthesis of DPAn-3 SPMs","SARS-CoV-1 Genome Replication and Transcription","Activation of APC/C and APC/C:Cdc20 mediated degradation
 of mitotic proteins","Inhibition of PKR","Truncations of AMER1 destabilize the destruction complex","Synthesis of bile acids and bile salts","Separation of Sister Chromatids","Regulation of TP53 Acti
vity through Phosphorylation","Biosynthesis of DPAn-3-derived 13-series resolvins","Replication of the SARS-CoV-1 genome","APC/C:Cdc20 mediated degradation of mitotic proteins","Synthesis of bile acid
s and bile salts via 27-hydroxycholesterol","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cycli
n A"}

> <broad_targets>
{GSK3A,GSK3B}

> <broad_moa>
{"glycogen synthase kinase inhibitor","lipoxygenase inhibitor"}

> <synonyms>
{CHEMBL243555,667463-62-9,667463629,BIO,6-BROMOINDIRUBIN-3'-OXIME,6BROMOINDIRUBIN3'OXIME,"GSK-3 Inhibitor IX","GSK3 Inhibitor IX",6BIO,6-bromoindirubin-3-oxime,6bromoindirubin3oxime,6-BIO,"(2'Z,3'E)-6
-Bromoindirubin-3'-oxime","(2'Z,3'E)6Bromoindirubin3'oxime","GSK 3 Inhibitor IX","GSK-3 Inhibitor IX (BIO)","GSK3 Inhibitor IX (BIO)","GSK 3B Inhibitor IX",(2Z,3E)-6-Bromoindirubin-3'-,3E)6Bromoindiru
bin3',T1917,"EMD 361550",3194,S7198,361550}

> <pdid>
PD002727

> <targets>
{GSK-3}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{448949}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 35 39  0  0  1  0            999 V2000
    8.5440   -1.7998    0.0000 C   0  0
    9.3008   -3.0949    0.0000 C   0  0  2  0  0  0
   10.8008   -3.0866    0.0000 O   0  0
    8.5568   -4.3983    0.0000 C   0  0
    9.3135   -5.6934    0.0000 O   0  0
    7.0560   -4.4066    0.0000 N   0  0
    6.3105   -5.7083    0.0000 C   0  0
    4.8105   -5.7135    0.0000 C   0  0
    4.0559   -4.4171    0.0000 N   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6923   -4.0811    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 N   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.4995    3.7442    0.0000 N   0  0
   -5.1969    1.4963    0.0000 N   0  0
   -3.8967    0.7484    0.0000 C   0  0
    2.5987    1.5004    0.0000 N   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 O   0  0
    3.8943    3.7525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
    4.8014   -3.1154    0.0000 C   0  0
    6.3014   -3.1102    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19 11  2  0
 19 20  1  0
 16 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 21  1  0
 14 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
  9 34  1  0
 34 35  1  0
 35  6  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15662

> <plate>
PLATE 005

> <well>
E8

> <supplier_cmpd_name>
Apitolisib

> <ctcr_id>
7517

> <supplier_cmpd_id>
T1916

> <smiles>
C[C@H](O)C(=O)N1CCN(Cc2sc3c(nc(nc3c2C)c4cnc(N)nc4)N5CCOCC5)CC1

> <pd_targets>
{PIK3CA,PIK3C3,PIK3CD,PIK3CG,SYK,PIK3C2B,PRKDC,PIK3CB,FGR,MAP3K9,MTOR,PIK3C2A,PIK3R1,PIK3R2,PIK3R3,PIK3R5}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","TK protein kinase group","Atypical protein kinase group","TKL protein kinase group","Tyrosine protein kinase Syk family","Atypical protein kinase PIKK fami
ly","Tyrosine protein kinase Src family","TKL protein kinase MLK family","TKL protein kinase MLK subfamily","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Lipid modifying kinases","Receptor kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidylinositol 3-ki
nase family","TK: Tyrosine kinase","Phosphatidylinositol-4-phosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","TKL: Tyrosine kinase-like","Non-receptor tyrosine
 kinases (nRTKs)","Other PIKK family kinases","Mixed Lineage Kinase (MLK) family","FRAP subfamily","Syk family","Src family","MLK subfamily"}

> <pathway_reactome>
{Disease,"Signal Transduction","Immune System",Metabolism,"Gene expression (Transcription)","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Ty
rosine Kinases","Cytokine Signaling in Immune system","Metabolism of lipids","Infectious disease","Innate Immune System","RNA Polymerase II Transcription","Signaling by FGFR in disease","Signaling by 
Insulin receptor","Signaling by Interleukins","Phospholipid metabolism","Leishmania infection","Cytosolic sensors of pathogen-associated DNA","Generic Transcription Pathway","Signaling by FGFR1 in dis
ease","Insulin receptor signalling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","PI Metabolism","Leishmania parasite growth and survival","STING mediated induction of host immune respon
ses","Transcriptional Regulation by TP53","FGFR1 mutant receptor activation","IRS-mediated signalling","Interleukin receptor SHC signaling","Synthesis of PIPs at the plasma membrane","Anti-inflammator
y response favouring Leishmania parasite infection","IRF3-mediated induction of type I IFN","Regulation of TP53 Activity","Synthesis of PIPs at the early endosome membrane","Signaling by cytosolic FGF
R1 fusion mutants","PI3K Cascade","FCGR3A-mediated IL10 synthesis","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{FGR,MAP3K9,MTOR,PIK3CA,PIK3CB,PIK3CD,PIK3CG,SYK}

> <broad_moa>
{"mTOR inhibitor","PI3K inhibitor"}

> <synonyms>
{"DC0980 (RG7422",Apitolisib,1032754-93-0,1032754930,GDC-0980,GDC0980,RG7422,"GNE 390","GDC 0980",UNII-1C854K1MIJ,UNII1C854K1MIJ,"GDC-0980 (RG7422)","GDC0980 (RG7422)","Apitolisib (GDC-0980, RG7422)",
"Apitolisib (GDC0980, RG7422)","RG 7422","GDC-0980 (Apitolisib)","GDC0980 (Apitolisib)",1C854K1MIJ,CHEMBL1922094,RG-7422,C23H30N8O3S,"GNE 390; GDC 0980;",T1916,S2696}

> <pdid>
PD010882

> <targets>
{mTOR,PI3K,Apoptosis}

> <classes>
{Apoptosis,PI3K/Akt/mTOR}

> <pubchem_cids>
{25254071}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 29  0  0  1  0            999 V2000
    9.6577   -4.9951    0.0000 C   0  0
   11.1448   -5.1913    0.0000 C   0  0
   11.4178   -6.6662    0.0000 N   0  0
   10.0994   -7.3817    0.0000 N   0  0
    9.0370   -6.3477    0.0000 C   0  0
    7.5445   -6.5046    0.0000 C   0  0
    6.7945   -7.8036    0.0000 C   0  0
    5.3273   -7.4917    0.0000 S   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.5408   -5.3899    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 O   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
    1.2925   -3.7494    0.0000 C   0  0
   -0.0041   -2.9953    0.0000 N   0  0
    7.4046   -9.1739    0.0000 Cl  0  0
    9.8941   -8.8675    0.0000 C   0  0
    8.9324   -3.6822    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  1  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10  6  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
 14 13  1  6
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 18 22  1  0
 14 23  1  0
 23 24  1  0
  7 25  1  0
  4 26  1  0
  1 27  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15663

> <plate>
PLATE 005

> <well>
E9

> <supplier_cmpd_name>
Afuresertib

> <ctcr_id>
11427

> <supplier_cmpd_id>
T1911

> <smiles>
c1(cnn(c1c1c(sc(c1)C(=O)N[C@@H](Cc1cc(ccc1)F)CN)Cl)C)Cl

> <pd_targets>
{AKT1,AKT2,AKT3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase AKT family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","Akt (Protein kinase B","PKB) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Generic Transcription Pathway","Signaling by Insulin receptor","Tra
nscriptional Regulation by TP53","Insulin receptor signalling cascade","Regulation of TP53 Activity","IRS-mediated signalling","Regulation of TP53 Expression and Degradation","PI3K Cascade","Regulatio
n of TP53 Degradation","PKB-mediated events","PDE3B signalling"}

> <broad_targets>
{AKT1,AKT2,AKT3}

> <broad_moa>
{"AKT inhibitor"}

> <synonyms>
{Afuresertib,1047644-62-1,1047644621,GSK2110183C,"Afuresertib free base","Afuresertib (GSK2110183)",UNII-8739X25QI3,UNII8739X25QI3,"GSK 2110183C",ASB183,ASB-183,GSK-2110183C,"1047644-62-1 (free base)"
,"1047644621 (free base)",8739X25QI3,"Afuresertib HCl",GSK2110183,"Afuresertib (USAN:INN)",Afu,T1911}

> <pdid>
PD012538

> <targets>
{Akt,Akt1,Akt2,Akt3,PKC,ROCK}

> <classes>
{Cytoskeletal Signaling,PI3K/Akt/mTOR signaling,Cell Cycle/DNA Damage,Cytoskeleton,Epigenetics,PI3K/Akt/mTOR,Stem Cell/Wnt,TGF-beta/Smad}

> <pubchem_cids>
{46843057}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 68 71  0  0  0  0            999 V2000
    1.9161   10.5654    0.0000 C   0  0
    3.3245   10.0492    0.0000 O   0  0
    3.5827    8.5707    0.0000 C   0  0
    2.4301    7.6108    0.0000 C   0  0
    2.6850    6.1326    0.0000 C   0  0
    4.0927    5.6144    0.0000 C   0  0
    5.2453    6.5743    0.0000 C   0  0
    4.9903    8.0525    0.0000 C   0  0
    6.1455    9.0106    0.0000 O   0  0
    7.5532    8.4901    0.0000 C   0  0
    8.7084    9.4481    0.0000 C   0  0
   10.1153    8.9279    0.0000 O   0  0
    1.5337    5.1698    0.0000 C   0  0
    1.7909    3.6911    0.0000 C   0  0
    3.1995    3.1753    0.0000 C   0  0
    0.6400    2.7300    0.0000 C   0  0
    0.8000    1.1200    0.0000 C   0  0
    2.0600    0.3500    0.0000 C   0  0
    1.8870   -1.1400    0.0000 O   0  0
    3.4300    0.8000    0.0000 C   0  0
    3.8662    2.2352    0.0000 C   0  0
    4.3600   -0.3900    0.0000 C   0  0
    5.8000   -0.4000    0.0000 C   0  0
    6.6151    0.8592    0.0000 C   0  0
    6.4400   -1.8000    0.0000 C   0  0
    7.9345   -1.9281    0.0000 O   0  0
    5.5100   -3.1600    0.0000 C   0  0
    4.0188   -3.2852    0.0000 O   0  0
    3.3799   -4.6424    0.0000 C   0  0
    6.5100   -4.2800    0.0000 C   0  0
    7.9504   -3.8613    0.0000 O   0  0
    6.2500   -5.8600    0.0000 C   0  0
    7.5042   -6.6827    0.0000 C   0  0
    4.8700   -6.7500    0.0000 C   0  0
    3.3400   -6.2300    0.0000 C   0  0
    2.3025   -7.3134    0.0000 C   0  0
    2.7800   -4.7900    0.0000 C   0  0
    1.1200   -4.8600    0.0000 C   0  0
    0.1200   -3.6900    0.0000 C   0  0
   -1.4100   -4.1500    0.0000 C   0  0
   -2.6300   -3.1700    0.0000 C   0  0
   -4.1200   -3.7800    0.0000 C   0  0
   -4.3154   -5.2672    0.0000 C   0  0
   -5.3700   -2.8300    0.0000 C   0  0
   -6.8600   -3.4400    0.0000 C   0  0
   -7.8600   -2.2400    0.0000 C   0  0
   -9.2500   -2.5000    0.0000 C   0  0
  -10.1800   -1.4400    0.0000 C   0  0
   -9.7100    0.0100    0.0000 C   0  0
  -10.7377    1.1027    0.0000 C   0  0
   -8.0800    0.4300    0.0000 C   0  0
   -8.4778    1.8763    0.0000 O   0  0
   -7.2300   -0.9300    0.0000 O   0  0
   -6.6100    0.8600    0.0000 C   0  0
   -5.5855   -0.2356    0.0000 O   0  0
   -6.1000    2.2500    0.0000 C   0  0
   -7.0129    3.4402    0.0000 O   0  0
   -4.5400    2.3900    0.0000 N   0  0
   -5.4800    3.8300    0.0000 C   0  0
   -4.8400    5.2900    0.0000 C   0  0
   -3.4600    5.5000    0.0000 C   0  0
   -2.6400    4.4900    0.0000 C   0  0
   -3.1200    3.1200    0.0000 C   0  0
   -1.9000    2.2900    0.0000 C   0  0
   -1.8545    0.7907    0.0000 O   0  0
   -0.7100    3.2100    0.0000 O   0  0
   -5.1674   -1.3437    0.0000 O   0  0
   -6.3526   -0.4242    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  5 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  2  3
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 27 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 37 38  2  3
 38 39  1  0
 39 40  2  3
 40 41  1  0
 41 42  2  3
 42 43  1  0
 42 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 49 51  1  0
 51 52  1  0
 51 53  1  0
 53 46  1  0
 51 54  1  0
 54 55  2  0
 54 56  1  0
 56 57  2  0
 56 58  1  0
 58 59  1  0
 59 60  1  0
 60 61  1  0
 61 62  1  0
 62 63  1  0
 63 58  1  0
 63 64  1  0
 64 65  2  0
 64 66  1  0
 66 16  1  0
 44 67  1  0
 67 68  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15664

> <plate>
PLATE 005

> <well>
E10

> <supplier_cmpd_name>
Everolimus

> <ctcr_id>
1570

> <supplier_cmpd_id>
T1784

> <smiles>
COC1CC(CCC1OCCO)CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC

> <pd_targets>
{MTOR,ABCC3,ABCB11,ABCC2,ABCC4,KCNE1,KCNQ1,FKBP1A}

> <pathway_gtopdb>
{Enzyme,Transporter,"Ion channel",Kinase,"Primary active transporter","Voltage-gated ion channel",Isomerase,"Protein Kinase","ATP-binding cassette","Potassium channels","Atypical protein kinase group"
,"ABCC subfamily","ABCB subfamily","Voltage-gated potassium channel","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","Peptidyl-prolyl cis/trans isomerases",Atypical,"ABCC subfamily","ABCB subfamily","Phosphatidyl inositol 3' kinas
e-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,Disease,Hemostasis,"RNA Polymerase II Transcription","Metabolism of lipids","Disorders of transmembrane transporters","Platelet activation","signaling and
 aggregation","Diseases of signal transduction by growth factor receptors and second messengers","Generic Transcription Pathway","Metabolism of steroids","ABC transporter disorders","Response to eleva
ted platelet cytosolic Ca2+","Signaling by TGF-beta Receptor Complex in Cancer","Transcriptional Regulation by TP53","Bile acid and bile salt metabolism","Defective ABCC2 causes DJS","Platelet degranu
lation","Loss of Function of TGFBR1 in Cancer","Regulation of TP53 Activity","Recycling of bile acids and salts","Synthesis of bile acids and bile salts","TGFBR1 LBD Mutants in Cancer","Regulation of 
TP53 Expression and Degradation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{Everolimus-d4,Everolimusd4,LSM-4258,LSM4258,159351-69-6,159351696,1338452-54-2,1338452542,HMS3672G03,CE0109,FT-0654851,FT0654851,Q27165445,T1784,S1120,Everolimus,Everolimus(RAD001),"Everolimus (RAD00
1)"}

> <pdid>
PD004083

> <targets>
{mTOR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{53398658}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 35  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -5.2081    5.9890    0.0000 N   0  0
   -5.2112    7.4898    0.0000 C   0  0
   -3.9134    8.2421    0.0000 O   0  0
   -6.5120    8.2384    0.0000 N   0  0
   -6.5150    9.7392    0.0000 C   0  0
   -7.8140   10.4893    0.0000 C   0  0
   -7.8140   11.9893    0.0000 C   0  0
   -6.5150   12.7393    0.0000 C   0  0
   -6.5150   14.2393    0.0000 Cl  0  0
   -5.2160   11.9893    0.0000 C   0  0
   -5.2160   10.4893    0.0000 C   0  0
   -3.9162   12.7397    0.0000 C   0  0
   -3.9153   14.2397    0.0000 F   0  0
   -2.6174   11.9893    0.0000 F   0  0
   -2.6168   13.4891    0.0000 F   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -5.1985    2.9859    0.0000 F   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 12 28  1  0
 28 29  1  0
 28 30  2  0
 30  9  1  0
  7 31  2  0
 31 32  1  0
 32 33  2  0
 33  5  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15665

> <plate>
PLATE 005

> <well>
E11

> <supplier_cmpd_name>
Regorafenib

> <ctcr_id>
4826

> <supplier_cmpd_id>
T1792

> <smiles>
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1

> <pd_targets>
{PDGFRB,RET,GLRA1,TEK,RAF1,KDR,KIT,BRAF,FLT4,EPHX2,FLT1,FGFR1,FLT3,PDGFRA,DDR2,FRK,FGFR2,MAPK11,ABL1,NTRK1,EPHA2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Ligand-gated ion channel",Protease,"Protein Kinase","Glycine receptor","Serine protease","TK protein kinase group","TKL protein kinase group","Serine protease SC clan","C
MGC protein kinase group","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Tie family","TKL protein kinase RAF family","Tyrosine protein kinase VEGF
R family","Serine protease S33 family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Src family","CMGC protein kinase MAPK family","Tyrosine prote
in kinase Abl family","Tyrosine protein kinase Trk family","Tyrosine protein kinase Eph family","CMGC protein kinase p38 subfamily"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"Catalytic receptors","Ligand-gated ion channels",Hydrolases,"Kinases (EC 2.7.x.x)","Receptor kinases","Glycine receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK famil
ies","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","Mitogen-activated protein kinases (MAP kinases)","Receptor tyrosine kinases (RTKs)","RAF family","Non-receptor tyrosine kinases (nRTKs)","p38 su
bfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Type XII RTKs: TIE family of angiopoietin receptors","Type IV RTKs: VEGF (vascular endothelial growth factor) rece
ptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type XVI RTKs: DDR (collagen receptor) family","Src family","Abl family","Type VII RTKs: Neurotrophin receptor/Trk family","
Type XIII RTKs: Ephrin receptor family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology","Neuronal System",Disease,Metabolism,"Extracellular matrix organization","Immune System","Intracellular signaling by second messengers","Nervous system d
evelopment","Transmission across Chemical Synapses","MAPK family signaling cascades","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second mes
sengers","Metabolism of lipids","Non-integrin membrane-ECM interactions","Innate Immune System","Infectious disease","PIP3 activates AKT signaling","Axon guidance","Neurotransmitter receptors and post
synaptic signal transmission","MAPK1/MAPK3 signaling","Signaling by VEGF","Signaling by KIT in disease","Signaling by NTRKs","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by F
GFR in disease","Signaling by Insulin receptor","Toll-like Receptor Cascades","Leishmania infection","Signaling by PDGFR in disease","Negative regulation of the PI3K/AKT network","RET signaling","RAF/
MAP kinase cascade","VEGFA-VEGFR2 Pathway","Drug resistance of KIT mutants","Signaling by NTRK1 (TRKA)","VEGF ligand-receptor interactions","Biosynthesis of DHA-derived SPMs","Signaling by FGFR1 in di
sease","Insulin receptor signalling cascade","PTEN Regulation","Signaling by FGFR2 in disease","Toll Like Receptor 5 (TLR5) Cascade","Parasite infection","Drug resistance of PDGFR mutants","EPH-Ephrin
 signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Negative regulation of MAPK pathway","VEGFR2 mediated cell proliferation","Dasatinib-resistant KIT mutants","Signalling to ERKs","VEGF bin
ds to VEGFR leading to receptor dimerization","Biosynthesis of maresins","FGFR1 mutant receptor activation","IRS-mediated signalling","Regulation of PTEN stability and activity","FGFR2 mutant receptor
 activation","MyD88 cascade initiated on plasma membrane","Leishmania phagocytosis","Imatinib-resistant PDGFR mutants","EPHA-mediated growth cone collapse","Negative feedback regulation of MAPK pathwa
y","Prolonged ERK activation events","Signaling by activated point mutants of FGFR1","PI3K Cascade","Activated point mutants of FGFR2","MAP kinase activation","FCGR3A-mediated phagocytosis","ARMS-medi
ated activation","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{ABL1,BRAF,DDR2,EPHA2,FGFR1,FGFR2,FLT1,FLT4,FRK,KDR,KIT,MAPK11,NTRK1,PDGFRA,PDGFRB,RAF1,RET,TEK}

> <broad_moa>
{"FGFR inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor","RAF inhibitor","RET tyrosine kinase inhibitor","VEGFR inhibitor"}

> <synonyms>
{"EGORAFENIB (BAY 734506",Regorafenib,755037-03-7,755037037,"BAY 73-4506","BAY 734506",Stivarga,Regorafenibum,"Regorafenib (BAY 73-4506)","Regorafenib (BAY 734506)",BAY73-4506,BAY734506,BAY-73-4506,UN
II-24T2A1DOYB,UNII24T2A1DOYB,24T2A1DOYB,CHEMBL1946170,CHEBI:68647,"Stivarga (TN)","BAY73-4506 hydrochloride","BAY734506 hydrochloride",1255386-16-3,1255386163,Regor,T1792,763932,S1178,regorafenib,"BAY
 73-4506(Regorafenib)"}

> <pdid>
PD003518

> <targets>
{VEGFR-PDGFR,c-Kit,Raf,VEGFR,c-RET}

> <classes>
{"Protein Tyrosine Kinase","Kinase inhibitor"}

> <pubchem_cids>
{11167602}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 52 55  0  0  1  0            999 V2000
    2.6304   11.9895    0.0000 C   0  0
    2.6316   10.4895    0.0000 C   0  0
    1.7658    9.9891    0.0000 C   0  0
    3.9315    9.7393    0.0000 C   0  0
    3.9327    8.2384    0.0000 C   0  0  2  0  0  0
    2.6318    7.4901    0.0000 N   0  0
    1.3327    8.2417    0.0000 C   0  0
    1.3340    9.2417    0.0000 O   0  0
    0.0318    7.4934    0.0000 C   0  0  2  0  0  0
    0.0268    5.9925    0.0000 C   0  0
   -1.2750    5.2456    0.0000 C   0  0
   -1.2799    3.7448    0.0000 C   0  0
    0.0150    2.9878    0.0000 C   0  0
    0.0070    1.4878    0.0000 C   0  0
   -1.2961    0.7448    0.0000 C   0  0
   -2.5911    1.5018    0.0000 C   0  0
   -2.5830    3.0018    0.0000 C   0  0
   -1.2673    8.2450    0.0000 N   0  0
   -2.5682    7.4967    0.0000 C   0  0
   -2.5701    5.9967    0.0000 O   0  0
   -3.8672    8.2483    0.0000 C   0  0
   -5.1682    7.4999    0.0000 N   0  0
   -6.4676    8.2493    0.0000 C   0  0
   -7.7663    7.4987    0.0000 C   0  0
   -7.7656    5.9987    0.0000 O   0  0
   -6.4663    5.2493    0.0000 C   0  0
   -5.1676    5.9999    0.0000 C   0  0
    5.2317    7.4868    0.0000 C   0  0
    5.2305    6.4868    0.0000 O   0  0
    6.5327    8.2352    0.0000 N   0  0
    7.8317    7.4835    0.0000 C   0  0  1  0  0  0
    7.8267    5.9827    0.0000 C   0  0
    6.5250    5.2358    0.0000 C   0  0
    5.2263    5.9866    0.0000 C   0  0
    3.9268    5.2374    0.0000 C   0  0
    3.9258    3.7374    0.0000 C   0  0
    5.2244    2.9866    0.0000 C   0  0
    6.5239    3.7357    0.0000 C   0  0
    9.1327    8.2319    0.0000 C   0  0
    9.1339    9.2319    0.0000 O   0  0
   10.4317    7.4802    0.0000 N   0  0
   11.7326    8.2286    0.0000 C   0  0  1  0  0  0
   11.7314    9.7294    0.0000 C   0  0
   10.4316   10.4796    0.0000 C   0  0
   10.4304   11.9796    0.0000 C   0  0
    9.5658    9.9792    0.0000 C   0  0
   13.0317    7.4769    0.0000 C   0  0
   13.0298    5.9769    0.0000 O   0  0
   14.3326    8.2253    0.0000 C   0  0  1  0  0  0
   15.6307    7.4737    0.0000 C   0  0
   13.5843    9.3922    0.0000 C   0  0
   15.0843    9.3901    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
  9 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
  5 28  1  0
 28 29  2  0
 28 30  1  0
 31 30  1  6
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 33  1  0
 31 39  1  0
 39 40  2  0
 39 41  1  0
 42 41  1  1
 42 43  1  0
 43 44  1  0
 44 45  1  0
 44 46  1  0
 42 47  1  0
 47 48  2  0
 47 49  1  0
 49 50  1  6
 49 51  1  0
 51 52  1  0
 52 49  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15666

> <plate>
PLATE 005

> <well>
F2

> <supplier_cmpd_name>
Carfilzomib

> <ctcr_id>
5576

> <supplier_cmpd_id>
T1795

> <smiles>
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]4(C)CO4

> <pd_targets>
{PSMB5,PSMB2,PSMB1,CYP3A4,CYP3A43,CYP3A5,CYP3A7,PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB10,PSMB11,PSMB3,PSMB4,PSMB6,PSMB7,PSMB8,PSMB9,CTSB,ADRM1,PSMC1,PSMC2,PSMC3,PSMC4,PSMC5,PSMC6,PSMD1,P
SMD11,PSMD12,PSMD13,PSMD14,PSMD2,PSMD3,PSMD4,PSMD6,PSMD7,PSMD8,SEM1,GSTO1,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Protease,"Cytochrome P450",Hydrolase,Oxidoreductase,"Voltage-gated ion channel","Threonine protease","Cytochrome P450 family 3","Cysteine protease","Metallo protease","Potassium 
channels","Threonine protease PBT clan","Cytochrome P450 family 3A","Cysteine protease CA clan","Metallo protease MP clan","Voltage-gated potassium channel","Threonine protease T1A subfamily","Cytochr
ome P450 3A4","Cysteine protease C1A family","Metallo protease M67 family","Threonine protease T1B subfamily","Metallo protease M67A subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels","Peptidases and proteinases","2.5.1.18 Glutathione transferases","Voltage-gated ion channels","PB: Threonine (T) Peptidases","CA: Cysteine (C) Peptidases","Potassium channels",
"T1: Proteasome","C1: Papain","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Cell Cycle","Immune System","Muscle contraction",Mitotic,"Innate Immune System","Cytokine Signaling in Immune system","Cardiac conduction","Regulation of mitotic cell cycle","Toll-like Receptor Casc
ades","Signaling by Interleukins","Phase 3 - rapid repolarisation","APC/C-mediated degradation of cell cycle proteins","Trafficking and processing of endosomal TLR","Interleukin-12 family signaling","
Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Interleukin-12 signaling","APC/C:Cdc20 mediated degradation of mitotic proteins","Gene and protein expression by JAK-STAT
 signaling after Interleukin-12 stimulation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cycl
in A"}

> <broad_targets>
{PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB1,PSMB10,PSMB11,PSMB2,PSMB3,PSMB4,PSMB5,PSMB6,PSMB7,PSMB8,PSMB9}

> <broad_moa>
{"proteasome inhibitor"}

> <synonyms>
{Carfilzomib,868540-17-4,868540174,Kyprolis,"Carfilzomib (PR-171)","Carfilzomib (PR171)",PR-171,PR171,UNII-72X6E3J5AR,UNII72X6E3J5AR,72X6E3J5AR,CHEMBL451887,CHEBI:65347,NCGC00249613-01,NCGC0024961301,
DSSTox_CID_28616,DSSToxCID28616,DSSTox-CID-28616,"DSSTox CID 28616",DSSTox_RID_82886,DSSToxRID82886,DSSTox-RID-82886,"DSSTox RID 82886",DSSTox_GSID_48690,DSSToxGSID48690,DSSTox-GSID-48690,"DSSTox GSID
 48690",CAS-868540-17-4,CAS868540174,"Carfilzomib (USAN:INN",T1795,758252,S2853,"NSC 758252"}

> <pdid>
PD004089

> <targets>
{Apoptosis,Autophagy,Proteasome}

> <classes>
{Proteasome inhibitor,Apoptosis,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{11556711}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 32  0  0  0  0            999 V2000
   13.3177   -4.0541    0.0000 Na  0  3
   -0.2237   -5.5078    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0
    4.0613   -7.0156    0.0000 O   0  0
    6.3098   -5.7131    0.0000 C   0  0
    7.0629   -7.0113    0.0000 C   0  0
    6.3152   -8.3116    0.0000 O   0  0
    8.5638   -7.0091    0.0000 C   0  0
    9.3169   -8.3073    0.0000 C   0  0
   10.8169   -8.3051    0.0000 O   0  0
    8.5692   -9.6077    0.0000 O   0  5
    2.4133   -1.7530    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    4.9619   -2.4739    0.0000 C   0  0
    6.4015   -2.0524    0.0000 C   0  0
    6.7561   -0.5949    0.0000 C   0  0
    8.1957   -0.1733    0.0000 F   0  0
    5.6713    0.4410    0.0000 C   0  0
    4.2318    0.0194    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
  6 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
 18 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31  5  1  0
 31 26  1  0
M  CHG  2   1   1  17  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15667

> <plate>
PLATE 005

> <well>
F3

> <supplier_cmpd_name>
Fluvastatin sodium salt

> <ctcr_id>
6333

> <supplier_cmpd_id>
T1487

> <smiles>
[Na+].CC(C)n1c(C=CC(O)CC(O)CC(=O)[O-])c(c2ccc(F)cc2)c3ccccc13

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"FLUVASTATIN SODIUM",93957-55-2,93957552,"(+)-(3R,5S)-XU 62-320 (free acid)","(+)(3R,5S)XU 62320 (free acid)","Fluvastatin sodium salt",94061-81-1,94061811,155229-75-7,155229757,HMS3369M12,HMS3655I22
,AK113368,DB-016443,DB016443,FT-0630984,FT0630984,FT-0668772,FT0668772,FT-0668773,FT0668773,A844750,S1909,"Fluvastatin Sodium"}

> <pdid>

> <targets>
{"HMG-CoA Reductase"}

> <classes>
{Metabolism}

> <pubchem_cids>
{24906289}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 67 68  0  0  0  0            999 V2000
   21.9243   -2.6257    0.0000 Ca  0  2
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -6.4924   -3.7566    0.0000 F   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3070   -5.2502    0.0000 C   0  0
    0.0093   -6.0025    0.0000 O   0  0
    2.6078   -5.9988    0.0000 C   0  0
    2.6109   -7.4996    0.0000 C   0  0
    1.3132   -8.2519    0.0000 O   0  0
    3.9117   -8.2481    0.0000 C   0  0
    3.9148   -9.7490    0.0000 C   0  0
    2.6171  -10.5012    0.0000 O   0  5
    5.2149  -10.4971    0.0000 O   0  0
   -0.0031    3.0008    0.0000 N   0  0
    1.2946    3.7531    0.0000 C   0  0
   -1.3039    3.7494    0.0000 S   0  0
   -2.6044    4.4969    0.0000 C   0  0
   -1.3070    5.2494    0.0000 O   0  0
   -2.6017    2.9971    0.0000 O   0  0
   18.1070   -0.7459    0.0000 C   0  0
   16.8090   -1.4977    0.0000 C   0  0
   16.8116   -2.9977    0.0000 C   0  0
   15.5077   -0.7500    0.0000 C   0  0
   15.5077    0.7500    0.0000 N   0  0
   14.2087    1.5000    0.0000 C   0  0
   12.9096    0.7500    0.0000 N   0  0
   12.9096   -0.7500    0.0000 C   0  0
   11.6099   -1.5004    0.0000 C   0  0
   10.3096   -0.7525    0.0000 C   0  0
    9.0118   -1.5046    0.0000 C   0  0
    9.0142   -3.0046    0.0000 C   0  0
    7.7163   -3.7566    0.0000 F   0  0
   10.3144   -3.7525    0.0000 C   0  0
   11.6122   -3.0004    0.0000 C   0  0
   14.2087   -1.5000    0.0000 C   0  0
   14.2118   -3.0008    0.0000 C   0  0
   15.5126   -3.7494    0.0000 C   0  0
   15.5157   -5.2502    0.0000 C   0  0
   14.2179   -6.0025    0.0000 O   0  0
   16.8165   -5.9988    0.0000 C   0  0
   16.8196   -7.4996    0.0000 C   0  0
   15.5219   -8.2519    0.0000 O   0  0
   18.1204   -8.2481    0.0000 C   0  0
   18.1235   -9.7490    0.0000 C   0  0
   16.8258  -10.5012    0.0000 O   0  5
   19.4236  -10.4971    0.0000 O   0  0
   14.2056    3.0008    0.0000 N   0  0
   15.5033    3.7531    0.0000 C   0  0
   12.9047    3.7494    0.0000 S   0  0
   11.6043    4.4969    0.0000 C   0  0
   12.9016    5.2494    0.0000 O   0  0
   11.6070    2.9971    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
  9 17  2  0
 17  5  1  0
 17 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
  7 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 31 34  2  0
 35 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 46 48  1  0
 48 49  2  0
 49 43  1  0
 42 50  2  0
 50 38  1  0
 50 51  1  0
 51 52  2  3
 52 53  1  0
 53 54  1  0
 53 55  1  0
 55 56  1  0
 56 57  1  0
 56 58  1  0
 58 59  1  0
 59 60  1  0
 59 61  2  0
 40 62  1  0
 62 63  1  0
 62 64  1  0
 64 65  1  0
 64 66  2  0
 64 67  2  0
M  CHG  3   1   2  27  -1  60  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15668

> <plate>
PLATE 005

> <well>
F4

> <supplier_cmpd_name>
Rosuvastatin calcium

> <ctcr_id>
2984

> <supplier_cmpd_id>
T1510

> <smiles>
[Ca++].CC(C)c1nc(nc(c2ccc(F)cc2)c1C=CC(O)CC(O)CC([O-])=O)N(C)[S](C)(=O)=O.CC(C)c3nc(nc(c4ccc(F)cc4)c3C=CC(O)CC(O)CC([O-])=O)N(C)[S](C)(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HMS3651I14,HMS3871N03,"Rosuvastatin calcium",147098-20-2,147098202,MFCD04112702,AK-72882,AK72882,SY073043,FT-0631176,FT0631176,FT-0658240,FT0658240,S2169,"Rosuvastatin Calcium"}

> <pdid>

> <targets>
{RAAS}

> <classes>
{"Endocrinology & Hormones"}

> <pubchem_cids>
{16413926}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 25  0  0  0  0            999 V2000
    1.9377   -1.2222    0.0000 O   0  0
    0.4600   -1.4800    0.0000 C   0  0
   -1.4000   -1.8100    0.0000 C   0  0
   -2.8500   -1.5200    0.0000 C   0  0
   -4.4800   -2.2100    0.0000 C   0  0
   -2.6000   -2.1800    0.0000 C   0  0
   -1.1200   -2.5800    0.0000 C   0  0
   -2.5400   -1.3600    0.0000 C   0  0
   -1.2300   -0.3200    0.0000 C   0  0
   -2.8500   -0.7400    0.0000 C   0  0
    0.4900   -0.6700    0.0000 C   0  0
   -1.2964    1.1627    0.0000 N   0  0
   -0.0293    1.9670    0.0000 C   0  0
   -0.0913    3.4665    0.0000 C   0  0
   -1.4204    4.1618    0.0000 O   0  0
    1.1758    4.2708    0.0000 N   0  0
    2.5510    3.7042    0.0000 C   0  0
    3.5093    4.8581    0.0000 C   0  0
    2.7081    6.1262    0.0000 C   0  0
    1.2545    5.7560    0.0000 C   0  0
    0.0947    6.7043    0.0000 C   0  0
   -1.0666    7.6538    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10  4  1  0
  9 11  1  0
 11  2  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 16  1  0
 20 21  1  0
 21 22  3  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15669

> <plate>
PLATE 005

> <well>
F5

> <supplier_cmpd_name>
Vildagliptin

> <ctcr_id>
1460

> <supplier_cmpd_id>
T1502

> <smiles>
OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N4CCCC4C#N

> <pd_targets>
{DPP4,DPP8,DPP9,FAP,"DPP IV"}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Protease,"Serine protease","Serine protease SC clan","Serine protease S9B subfamily","Serine protease S9A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","SC: Serine (S) Peptidases","S9: Prolyl oligopeptidase"}

> <pathway_reactome>
{"Metabolism of proteins","Peptide hormone metabolism","Incretin synthesis",secretion,"and inactivation",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)"}

> <broad_targets>
{DPP4}

> <broad_moa>
{"dipeptidyl peptidase inhibitor"}

> <synonyms>
{"ILDAGLIPTIN (LAF237",Vildagliptin,(2R)-Vildagliptin,(2R)Vildagliptin,274901-16-5,274901165,1036959-27-9,1036959279,1-(2-((3-hydroxy-1-adamantyl)amino)acetyl)pyrrolidine-2-carbonitrile,1(2((3hydroxy1
adamantyl)amino)acetyl)pyrrolidine2carbonitrile,Vildagliptin-d7,Vildagliptind7,1133208-42-0,1133208420,SCHEMBL354910,"US8785477, Vildagliptin",SCHEMBL1082457,CHEMBL3665969,BDBM126,T1502,S3033,"Vildagl
iptin (LAF-237)"}

> <pdid>
PD007558

> <targets>
{DPP-4}

> <classes>
{Proteases}

> <pubchem_cids>
{5251896}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 38  0  0  0  0            999 V2000
   11.8252   -1.8845    0.0000 C   0  0
   10.8251   -0.7666    0.0000 C   0  0
   10.1194    0.4833    0.0000 C   0  0
   11.4581    1.1599    0.0000 O   0  0
   12.1347   -0.1789    0.0000 C   0  0
    9.3560   -1.0736    0.0000 C   0  0
    8.3549    0.0446    0.0000 O   0  0
    6.8858   -0.2623    0.0000 C   0  0
    5.8837    0.8539    0.0000 C   0  0
    4.4160    0.5441    0.0000 C   0  0
    3.9504   -0.8818    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.7345   -2.9814    0.0000 C   0  0
    4.2013   -3.2954    0.0000 N   0  0
    4.9525   -1.9980    0.0000 C   0  0
    6.4202   -1.6882    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0008    0.0000 N   0  0
   -3.8959   -3.7529    0.0000 C   0  0
   -3.8935   -5.2529    0.0000 C   0  0
   -2.5933   -6.0009    0.0000 C   0  0
   -2.5909   -7.5009    0.0000 N   0  0
   -1.2954   -5.2488    0.0000 C   0  0
   -1.2978   -3.7488    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  2  1  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  1  0
 15 16  2  0
 16  8  1  0
 12 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 25  1  0
 24 32  1  0
 32 20  1  0
 32 33  2  0
 33 17  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15670

> <plate>
PLATE 005

> <well>
F6

> <supplier_cmpd_name>
Crenolanib

> <ctcr_id>
6853

> <supplier_cmpd_id>
T2677

> <smiles>
CC1(COC1)COc2ccc3n(cnc3c2)c4ccc5cccc(N6CCC(N)CC6)c5n4

> <pd_targets>
{FLT3,CSF1R,KIT,PDGFRB,PDGFRA}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase PDGFR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Disease,"Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors 
and second messengers","Intracellular signaling by second messengers","Signaling by Insulin receptor","Generic Transcription Pathway","Signaling by KIT in disease","PIP3 activates AKT signaling","Sign
aling by PDGFR in disease","Insulin receptor signalling cascade","Transcriptional Regulation by VENTX","Drug resistance of KIT mutants","Negative regulation of the PI3K/AKT network","Drug resistance o
f PDGFR mutants","IRS-mediated signalling","Dasatinib-resistant KIT mutants",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Imatinib-resistant PDGFR mutants","PI3K Cascade"}

> <broad_targets>
{CSF1R,FLT3,KIT,PDGFRA,PDGFRB}

> <broad_moa>
{"PDGFR tyrosine kinase receptor inhibitor"}

> <synonyms>
{"RENOLANIB (CP 868596",Crenolanib,670220-88-9,670220889,"670220 88 9","Crenolanib (CP-868596)","Crenolanib (CP868596)","Crenolanib (CP 868596)",CP-868596,CP868596,"CP 868596",ARO-002,ARO002,"ARO 002"
,UNII-LQF7I567TQ,UNIILQF7I567TQ,"UNII LQF7I567TQ","CP-868,596","CP868,596","CP 868,596","Crenolanib (USAN)",LQF7I567TQ,CP868569,"CP-868596 (Crenolanib)","CP868596 (Crenolanib)","CP 868596 (Crenolanib)
",MFCD21609260,"Crenolanib (USAN:INN)",cr,T2677,S2730}

> <pdid>
PD010692

> <targets>
{PDGFR,Autophagy,FLT3}

> <classes>
{Protein Tyrosine Kinase,Autophagy,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{10366136}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
    5.1912   -4.5090    0.0000 C   0  0
    2.5951   -3.0039    0.0000 Si  0  0
    1.2948   -3.7516    0.0000 C   0  0
    1.2973   -2.2519    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -1.2991    5.2500    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 11  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15671

> <plate>
PLATE 005

> <well>
F7

> <supplier_cmpd_name>
kb-NB77-78

> <ctcr_id>
11428

> <supplier_cmpd_id>
T1808

> <smiles>
CC(C)(C)[Si](C)(C)Oc1cc2c(cc1)oc(=O)c1c2CCCN1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BNB777,kb-NB77-78,kbNB7778,1350622-33-1,1350622331,C18H25NO3Si,SCHEMBL9904020,BCP09959,3759AH,MFCD28167802,s6532,AKOS026750219,ZINC214464031,CS-3265,CS3265,HY-16698,HY16698,"9-((TERT-BUTYLDIMETHYLSIL
YL)OXY)-1H,2H,3H,4H-CHROMENO(3,4-B)PYRIDIN-5-ONE","9((TERTBUTYLDIMETHYLSILYL)OXY)1H,2H,3H,4HCHROMENO(3,4B)PYRIDIN5ONE",T1808}

> <pdid>
PD055846

> <targets>
{PKD1,Others}

> <classes>
{Apoptosis,Others}

> <pubchem_cids>
{78357823}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    6.7075   -4.4318    0.0000 O   0  0
    7.3221   -3.0635    0.0000 C   0  0
    8.8145   -2.9122    0.0000 O   0  0
    6.4437   -1.8466    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    4.2010   -3.2956    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9  5  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15672

> <plate>
PLATE 005

> <well>
F8

> <supplier_cmpd_name>
VGX-1027

> <ctcr_id>
7873

> <supplier_cmpd_id>
T1813

> <smiles>
OC(=O)CC1CC(=NO1)c2ccccc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{TLR4}

> <broad_moa>
{"tumor necrosis factor receptor antagonist"}

> <synonyms>
{GX102,VGX-1027,VGX1027,6501-72-0,6501720,"GIT 27","4,5-DIHYDRO-3-PHENYL-5-ISOXAZOLEACETIC ACID","4,5DIHYDRO3PHENYL5ISOXAZOLEACETIC ACID",git-27,git27,"2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic A
cid","2(3phenyl4,5dihydro1,2oxazol5yl)acetic Acid","2-(3-phenyl-4,5-dihydroisoxazol-5-yl)acetic acid","2(3phenyl4,5dihydroisoxazol5yl)acetic acid","4,5-Dihydro-3-phenyl-5-isoxazoleaceticacid","4,5Dihy
dro3phenyl5isoxazoleaceticacid","VGX 1027",MFCD,T1813,S7515}

> <pdid>
PD010288

> <targets>
{Interleukin Related,TNF Receptor}

> <classes>
{Apoptosis,Immunology/Inflammation}

> <pubchem_cids>
{10798271}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    5.6608    1.8315    0.0000 O   0  0
    4.6588    2.9478    0.0000 C   0  0
    5.1250    4.3735    0.0000 O   0  0
    3.1904    2.6376    0.0000 C   0  0
    2.1885    3.7539    0.0000 O   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    3.1905   -2.6376    0.0000 C   0  0
    4.6589   -2.9478    0.0000 C   0  0
    5.1272   -4.3728    0.0000 C   0  0
    6.5954   -4.6799    0.0000 C   0  0
    7.5954   -3.5619    0.0000 C   0  0
    7.1272   -2.1368    0.0000 C   0  0
    5.6590   -1.8298    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.5018    3.7420    0.0000 O   0  0
   -7.7993    2.9876    0.0000 C   0  0
   -9.1010    3.7329    0.0000 F   0  0
   -7.7943    1.4876    0.0000 F   0  0
   -9.0957    2.2331    0.0000 F   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
  8 16  1  0
 16 17  2  0
 17  6  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 25 31  1  0
 31 32  2  0
 32 22  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15673

> <plate>
PLATE 005

> <well>
F9

> <supplier_cmpd_name>
Tiplaxtinin

> <ctcr_id>
11429

> <supplier_cmpd_id>
T2030

> <smiles>
OC(=O)C(=O)c1cn(Cc2ccccc2)c2c1cc(cc2)c1ccc(OC(F)(F)F)cc1

> <pd_targets>
{SERPINE1}

> <pathway_gtopdb>
{"Secreted protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer","SMAD2/SMAD3:SMAD4 heterotrimer regula
tes transcription"}

> <broad_targets>
{SERPINE1}

> <broad_moa>
{"plasminogen activator inhibitor"}

> <synonyms>
{Tiplaxtinin,393105-53-8,393105538,Tiplasinin,PAI-039,PAI039,"PAI 039",Tiplaxtinin(PAI-039),Tiplaxtinin(PAI039),UNII-L396QIB983,UNIIL396QIB983,PAI-039;Tiplasinin,PAI039;Tiplasinin,CHEMBL325441,L396QIB
983,"2-(1-benzyl-5-(4-(trifluoromethoxy)phenyl)indol-3-yl)-2-oxoacetic acid","2(1benzyl5(4(trifluoromethoxy)phenyl)indol3yl)2oxoacetic acid",2-(1-benzyl-5-(4-(trifluoromethoxy)p,2(1benzyl5(4(trifluoro
methoxy)p,T2030}

> <pdid>
PD012610

> <targets>
{PAI-1}

> <classes>
{Metabolism}

> <pubchem_cids>
{6450819}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 32  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5973    1.5031    0.0000 N   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8912    5.2578    0.0000 O   0  0
   -5.1894    6.0109    0.0000 C   0  0
   -5.1895    7.5109    0.0000 C   0  0
   -6.4885    8.2609    0.0000 C   0  0
   -7.7876    7.5110    0.0000 C   0  0
   -9.0866    8.2610    0.0000 Cl  0  0
   -7.7876    6.0110    0.0000 C   0  0
   -6.4886    5.2609    0.0000 C   0  0
   -1.2948    3.7516    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    7.7875   -7.5110    0.0000 C   0  0
    9.0866   -8.2610    0.0000 Cl  0  0
    7.7876   -6.0110    0.0000 C   0  0
    6.4885   -5.2610    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  3
 15 16  1  0
 15 17  1  0
 17 18  2  3
 18 12  1  0
  9 19  2  0
  7 20  1  0
 20 21  1  0
 21  4  1  0
  2 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  3
 25 26  1  0
 26 27  2  3
 27 28  1  0
 27 29  1  0
 29 30  2  3
 30 24  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15674

> <plate>
PLATE 005

> <well>
F10

> <supplier_cmpd_name>
ISRIB

> <ctcr_id>
11430

> <supplier_cmpd_id>
T2027

> <smiles>
O=C(N[C@H]1CC[C@H](NC(COC2=CC=C(Cl)C=C2)=O)CC1)COC3=CC=C(Cl)C=C3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{EIF2A,EIF2AK3}

> <broad_moa>
{"eukaryotic translation initiation factor inhibitor","PERK inhibitor"}

> <synonyms>
{ISRIB,trans-ISRIB,transISRIB,1597403-47-8,1597403478,"ISRIB (trans-isomer)","ISRIB (transisomer)",548470-11-7,548470117,"N,N'-(cis-Cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)acetamide)","N,N'(cisCyc
lohexane1,4diyl)bis(2(4chlorophenoxy)acetamide)",1597403-48-9,1597403489,"N,N'-((1r,4r)-cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)acetamide)","N,N'((1r,4r)cyclohexane1,4diyl)bis(2(4chlorophenoxy)ace
tamide)",N,N'-trans-1,N'trans1,4-cyclohexanediylb,4cyclohexanediylb,T2027,T6183}

> <pdid>
PD012842

> <targets>
{PERK}

> <classes>
{MAPK}

> <pubchem_cids>
{1011240}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8915    3.7585    0.0000 N   0  0
    3.8863    5.2585    0.0000 C   0  0
    2.5847    6.0040    0.0000 C   0  0
    2.5795    7.5040    0.0000 Cl  0  0
    1.2883    5.2495    0.0000 C   0  0
   -0.0156    5.9927    0.0000 N   0  0
   -1.3117    5.2360    0.0000 C   0  0
   -1.3014    3.7359    0.0000 C   0  0
   -2.5952    2.9770    0.0000 C   0  0
   -3.8994    3.7180    0.0000 C   0  0
   -3.9098    5.2179    0.0000 C   0  0
   -2.6160    5.9769    0.0000 C   0  0
   -2.6295    7.4777    0.0000 N   0  0
   -3.9355    8.2172    0.0000 S   0  0
   -3.9490    9.7171    0.0000 O   0  0
   -5.2279    7.4559    0.0000 O   0  0
   -5.2411    8.9557    0.0000 C   0  0
    1.2934    3.7495    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 N   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 O   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  2  0
 20 23  1  0
 11 24  2  0
 24  6  1  0
  4 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28  3  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 29  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15675

> <plate>
PLATE 005

> <well>
F11

> <supplier_cmpd_name>
CZC-54252

> <ctcr_id>
11431

> <supplier_cmpd_id>
T2022

> <smiles>
COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(=O)(=O)C)n2)ccc(c1)N1CCOCC1

> <pd_targets>
{LRRK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","TKL protein kinase LRRK family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TKL: Tyrosine kinase-like","Leucine-rich repeat kinase (LRRK) family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Non-Receptor Tyrosine Kinases","Signaling by PTK6","PTK6 promotes HIF1A stabilization"}

> <broad_targets>
{LRRK2}

> <broad_moa>
{"leucine rich repeat kinase inhibitor"}

> <synonyms>
{ZC5425,CZC-54252,CZC54252,1191911-27-9,1191911279,SCHEMBL1460537,CHEMBL4303382,CHEBI:78414,BCP15148,EX-A2222,EXA2222,HY-B0792,HYB0792,MFCD26401527,s6534,ZINC98052686,AKOS027253841,CS-3945,CS3945,NCGC
00379153-02,NCGC0037915302,AK203975,AS-56074,AS56074,Q27147816,T2022,T3053,CZC-25146}

> <pdid>
PD012314

> <targets>
{LRRK2}

> <classes>
{Autophagy}

> <pubchem_cids>
{44252734}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    3.8976   -0.7500    0.0000 O   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8982   -2.2498    0.0000 O   0  0
    2.5997   -3.0012    0.0000 C   0  0
    3.8995   -3.7516    0.0000 C   0  0
    4.5730   -5.0035    0.0000 C   0  0
    5.3202   -3.7029    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  5  1  0
  2  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 11 19  1  0
 19 20  2  0
 20  8  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15676

> <plate>
PLATE 005

> <well>
G2

> <supplier_cmpd_name>
SB-3CT

> <ctcr_id>
11432

> <supplier_cmpd_id>
T2009

> <smiles>
O=S(=O)(CC1CS1)c1ccc(Oc2ccccc2)cc1

> <pd_targets>
{MMP8,MMP7,MMP2,MMP9,MMP14,MMP3,ADAM17}

> <pathway_gtopdb>
{Enzyme,Protease,"Metallo protease","Metallo protease MAM clan","Metallo protease M10A subfamily","Metallo protease M12B subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","MA: Metallo (M) Peptidases","M10: Matrix metallopeptidase","M12: Astacin/Adamalysin"}

> <pathway_reactome>
{"Extracellular matrix organization","Signal Transduction","Developmental Biology",Disease,"Degradation of the extracellular matrix","Signaling by Nuclear Receptors","Nervous system development","Sign
aling by GPCR","Infectious disease","Activation of Matrix Metalloproteinases","ESR-mediated signaling","Axon guidance","GPCR downstream signalling","Leishmania infection","Extra-nuclear estrogen signa
ling","EPH-Ephrin signaling","G alpha (q) signalling events","Leishmania parasite growth and survival","EPH-ephrin mediated repulsion of cells","Gastrin-CREB signalling pathway via PKC and MAPK","Anti
-inflammatory response favouring Leishmania parasite infection","EGFR Transactivation by Gastrin","CD163 mediating an anti-inflammatory response"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{B3C,SB-3CT,SB3CT,292605-14-2,292605142,2-((4-phenoxyphenylsulfonyl)methyl)thiirane,2((4phenoxyphenylsulfonyl)methyl)thiirane,2-((4-phenoxyphenyl)sulfonylmethyl)thiirane,2((4phenoxyphenyl)sulfonylmeth
yl)thiirane,"SB 3CT",CHEMBL483857,2-(((4-Phenoxyphenyl)sulfonyl)methyl)thiirane,2(((4Phenoxyphenyl)sulfonyl)methyl)thiirane,"Thiirane, 2-(((4-phenoxyphenyl)sulfonyl)methyl)-","Thiirane, 2(((4phenoxyph
enyl)sulfonyl)methyl)",2-((4-PHENOXYBEN,2((4PHENOXYBEN,T2009}

> <pdid>
PD010318

> <targets>
{MMP-2,MMP-9}

> <classes>
{Proteases/Proteasome}

> <pubchem_cids>
{9883002}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 26  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8978   -0.7496    0.0000 C   0  0
   -5.1981   -1.4975    0.0000 C   0  0
   -6.4959   -0.7455    0.0000 C   0  0
   -6.4936    0.7545    0.0000 C   0  0
   -5.1933    1.5025    0.0000 C   0  0
   -3.8955    0.7504    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
  4 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15677

> <plate>
PLATE 005

> <well>
G3

> <supplier_cmpd_name>
LY294002

> <ctcr_id>
4842

> <supplier_cmpd_id>
T2008

> <smiles>
O=C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4

> <pd_targets>
{BLM,LMNA,GMNN,ALDH1A1,SMN1,PMP22,KDM4E,PIK3CD,PIK3CB,PRKDC,PIK3CA,MTOR,PIK3CG,PLK1,PIK3R1,PIK3R2,PIK3C2B,PIM3,CYP2D6,CYP1A2,PIM1,NFKB1,CYP2C19,CYP3A4,PLK3,PDE2A,TSHR,BRD3,PLK2,HIF1A,ALOX15,THPO,CYP2C
9,BRD4,BRD2,PIK3C2A,HSD17B10,CDK8,PDE3A,PDE3B,GSK3B,CSNK2A1,CSNK2A2,CSNK2B,HTR2B,PDE5A,HTR2A,CACNA1C,CACNB2,HTR2C}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Unclassified protein","Epigenetic regulator","Other cytosolic protein","Membrane receptor","Transcription factor","Ion channel",Oxidoreductase,Reader,Eraser,Transferas
e,Kinase,Protease,"Cytochrome P450",Phosphodiesterase,"Family A G protein-coupled receptor","Voltage-gated ion channel","Methyl-lysine/arginine binding protein","Lysine demethylase","Protein Kinase","
Cysteine protease","Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 3","Phosphodiesterase 2","Peptide receptor (family A GPCR)",Bromodomain,"Phosphodiesterase 3","Small mo
lecule receptor (family A GPCR)","Phosphodiesterase 5","Voltage-gated calcium channel","Tudor domain","Jumonji domain-containing","Atypical protein kinase group","Other protein kinase group","CAMK pro
tein kinase group","Cysteine protease CA clan","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Phosphodiesterase 2A","Glycohormone rece
ptor","CMGC protein kinase group","Phosphodiesterase 3A","Monoamine receptor","Phosphodiesterase 5A","Atypical protein kinase PIKK family","Other protein kinase PLK family","CAMK protein kinase PIM fa
mily","Cysteine protease C1A family","Cytochrome P450 2D6","Cytochrome P450 1A1","Cytochrome P450 2C19","Cytochrome P450 3A4","Cytochrome P450 2C9","CMGC protein kinase CDK family","CMGC protein kinas
e GSK family","Other protein kinase CK2 family","Serotonin receptor","Atypical protein kinase FRAP subfamily","Other protein kinase PLK2","CMGC protein kinase CDK8 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","Catalytic receptors","Glycerophospholipid turnover","Cytochrome P450","Cyclic nucleotide turnover/signalling","G protein-couple
d receptors","Eicosanoid turnover","1.14.11.- Histone demethylases","Lipid modifying kinases",Atypical,"Receptor kinases","Phosphatidylinositol kinases","CAMK: Calcium/calmodulin-dependent protein kin
ases","CYP2 family: drug metabolising subset","CYP1 family","CYP3 family",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","Glycoprotein hormone receptors","Enzymatic bromodomain-containing protein
s",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","5-Hydroxytryptamine receptors",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinase
s (PIKK) family","Other protein kinases","Phosphatidylinositol-4-phosphate 3-kinase family","PIM family","Bromodomain kinase (BRDK) family","Cyclin-dependent kinase (CDK) family","Glycogen synthase ki
nase (GSK) family","Other PIKK family kinases","FRAP subfamily","Polo-like kinase (PLK) family","CDK8 subfamily","GSK subfamily"}

> <pathway_reactome>
{"DNA Repair","Cell Cycle",Metabolism,"Metabolism of RNA","Developmental Biology","Immune System","Signal Transduction",Disease,"Gene expression (Transcription)",Hemostasis,"Cellular responses to exte
rnal stimuli","DNA Double-Strand Break Repair",Mitotic,"Biological oxidations","Metabolism of non-coding RNA","Nervous system development","Cytokine Signaling in Immune system","Signaling by Receptor 
Tyrosine Kinases","Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Metabolism of lipids","Platelet homeostas
is","Infectious disease","Cellular responses to stress","Platelet activation","signaling and aggregation","Metabolism of amino acids and derivatives","Signaling by GPCR","Homology Directed Repair","M 
Phase","Mitotic G1 phase and G1/S transition","Phase I - Functionalization of compounds","snRNP Assembly","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Signaling by Interleukins","
Signaling by Insulin receptor","Cytosolic sensors of pathogen-associated DNA","Signaling by FGFR in disease","Generic Transcription Pathway","Phospholipid metabolism","Mitotic G2-G2/M phases","FLT3 si
gnaling in disease","Biosynthesis of specialized proresolving mediators (SPMs)","Nitric oxide stimulates guanylate cyclase","Leishmania infection","Cellular response to hypoxia","Platelet Aggregation 
(Plug Formation)","SARS-CoV Infections","Branched-chain amino acid catabolism","Signaling by NOTCH1 in Cancer","GPCR ligand binding","HDR through Homologous Recombination (HRR) or Single Strand Anneal
ing (SSA)","Mitotic Metaphase and Anaphase","G1/S Transition","Ethanol oxidation",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Insulin receptor signalling cascade","STING mediated induction of 
host immune responses","Signaling by FGFR1 in disease","Transcriptional Regulation by TP53","PI Metabolism","G2/M Transition","Cytochrome P450 - arranged by substrate type","Signaling by FLT3 ITD and 
TKD mutants","Interleukin-1 family signaling","Biosynthesis of DHA-derived SPMs","cGMP effects","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible F
actor Alpha","Biosynthesis of DPA-derived SPMs","Potential therapeutics for SARS","Transcriptional regulation by RUNX3","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","SARS-CoV-1 Infection","C
lass A/1 (Rhodopsin-like receptors)","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Activation of the pre-replicative complex","Interleukin receptor SHC signaling","IRS-mediated sign
alling","IRF3-mediated induction of type I IFN","FGFR1 mutant receptor activation","Regulation of TP53 Activity","Synthesis of PIPs at the plasma membrane","Centrosome maturation",Xenobiotics,"STAT5 a
ctivation downstream of FLT3 ITD mutants","Interleukin-1 signaling","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3 SPMs","RUNX3
 regulates p14-ARF","Synthesis of PIPs at the early endosome membrane","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","SARS-CoV-1 Genome Replication and Transcription","Amine ligand-binding
 receptors","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation"
,"Loss of proteins required for interphase microtubule organization from the centrosome","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP3K8 (TPL2)-dependent 
MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Regulation of TP53 Activity through Phosphorylation","ADORA2B mediated anti-inflammatory cytokines production","CD163 mediating an anti-inflamm
atory response","Biosynthesis of DPAn-3-derived protectins and resolvins","Replication of the SARS-CoV-1 genome","Serotonin receptors","Presynaptic phase of homologous DNA pairing and strand exchange"
,"Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
{AKT1,CHEK1,GSK3B,LCK,MAPK1,MAPK11,MAPK12,MAPK14,MAPK8,MTOR,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM1,PLK1,PRKCA,PRKDC,ROCK1,RPS6KB1,SGK1}

> <broad_moa>
{"DNA dependent protein kinase inhibitor","mTOR inhibitor","phosphodiesterase inhibitor","PI3K inhibitor","PLK inhibitor"}

> <synonyms>
{154447-36-6,154447366,LY294002,"LY 294002",LY-294002,2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one,2(4Morpholinyl)8phenyl4H1benzopyran4one,2-morpholino-8-phenyl-4H-chromen-4-one,2morpholino8phenyl
4Hchromen4one,2-morpholin-4-yl-8-phenyl-4H-chromen-4-one,2morpholin4yl8phenyl4Hchromen4one,UNII-31M2U1DVID,UNII31M2U1DVID,2-(morpholin-4-yl)-8-phenyl-4H-chromen-4-one,2(morpholin4yl)8phenyl4Hchromen4o
ne,31M2U1DV,T4079,T2008,"EMD 440202",S1105,ST-420,"LY-294002 hydrochloride",440202}

> <pdid>
PD007784

> <targets>
{PI3K,"PI 3-K",Apoptosis,Autophagy,"Casein Kinase",DNA-PK}

> <classes>
{Apoptosis,Autophagy,Cell Cycle/DNA Damage,PI3K/Akt/mTOR,Stem Cell/Wnt}

> <pubchem_cids>
{3973}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 34 38  0  0  0  0            999 V2000
    7.7671   -1.5455    0.0000 C   0  0
    6.2736   -1.6855    0.0000 C   0  0
    5.4061   -0.4618    0.0000 C   0  0
    5.6479   -3.0468    0.0000 N   0  0
    6.3738   -4.3594    0.0000 N   0  0
    5.3497   -5.4554    0.0000 C   0  0
    5.6344   -6.9282    0.0000 C   0  0
    3.9908   -4.8201    0.0000 N   0  0
    4.1959   -3.3461    0.0000 C   0  0
    3.0226   -2.4104    0.0000 C   0  0
    3.0899   -0.9120    0.0000 C   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 O   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1695   -0.6090    0.0000 C   0  0
   -3.7175   -2.0053    0.0000 C   0  0
   -2.7822   -3.1781    0.0000 C   0  0
   -1.2990   -2.9545    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.5767   -2.8095    0.0000 N   0  0
   -5.2015   -2.2290    0.0000 C   0  0
   -6.2343   -1.1588    0.0000 C   0  0
   -7.5748   -1.8319    0.0000 N   0  0
   -7.3488   -3.3148    0.0000 N   0  0
   -5.8687   -3.5582    0.0000 C   0  0
   -8.4145   -4.3680    0.0000 C   0  0
   -8.0343   -5.8190    0.0000 C   0  0
   -9.4809   -5.4229    0.0000 C   0  0
   -9.8621   -3.9719    0.0000 C   0  0
  -10.9290   -5.0263    0.0000 O   0  0
  -10.2423   -2.5209    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 22 12  1  0
 22 23  2  0
 23 10  1  0
 18 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 24  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
 32 33  2  0
 32 34  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15678

> <plate>
PLATE 005

> <well>
G4

> <supplier_cmpd_name>
Taselisib

> <ctcr_id>
3601

> <supplier_cmpd_id>
T1999

> <smiles>
CC(C)n1nc(C)nc1c2cn3CCOc4cc(ccc4c3n2)c5cnn(c5)C(C)(C)C(=O)N

> <pd_targets>
{PIK3CB,PIK3CD,PIK3C3,PIK3CG,PIK3CA,MTOR,PIK3C2B,PIK3R2,PIK3R1,PIK3R3,PIK3R5}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Glycerophospholipid turnover","Lipid modifying kinases",Atypical,"Phosphatidylinositol kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidylin
ositol 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Phosphatidylinositol-4-phosphate 3-kinase family","FRAP subfamily"}

> <pathway_reactome>
{"Signal Transduction","Immune System",Metabolism,Disease,"Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","Metabolism of lipids","Disea
ses of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Signaling by Insulin receptor","Signaling by Interleukins","Phospholipid metabolism","Si
gnaling by FGFR in disease","Generic Transcription Pathway","Insulin receptor signalling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","PI Metabolism","Signaling by FGFR1 in disease","Tr
anscriptional Regulation by TP53","IRS-mediated signalling","Interleukin receptor SHC signaling","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor activation","Regulation of TP53 Activ
ity","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{PIK3CA}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{1282512-48-4,1282512484,Taselisib,GDC-0032,GDC0032,"GDC 0032",UNII-L08J2O299M,UNIIL08J2O299M,"Taselisib (GDC0032)",CHEMBL2387080,L08J2O299M,"Taselisib (INN)",RG7604,"Taselisib (USAN:INN)","RG 7604",R
G-7604,TaselisibGDC-0032,TaselisibGDC0032,"Taselisib (USAN/INN)","Taselisib (GDC-0032)",GTPL7,T1999,S7103}

> <pdid>
PD012669

> <targets>
{PI3K}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{51001932}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 35 40  0  0  0  0            999 V2000
    7.3352    6.5059    0.0000 C   0  0
    8.0901    5.2097    0.0000 S   0  0
    9.5901    5.2159    0.0000 O   0  0
    8.8349    6.5117    0.0000 O   0  0
    7.3442    3.9074    0.0000 N   0  0
    8.0987    2.6109    0.0000 C   0  0
    7.3533    1.3093    0.0000 C   0  0
    5.8532    1.3040    0.0000 N   0  0
    5.1047    0.0031    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 S   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -4.2128    0.7135    0.0000 C   0  0
   -5.7049    0.8679    0.0000 N   0  0
   -6.3128   -0.5034    0.0000 N   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
    5.0987    2.6005    0.0000 C   0  0
    5.8442    3.9021    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 10  1  0
 13 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 12  1  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  1  0
 24 20  1  0
 24 25  2  3
 25 26  1  0
 26 27  2  3
 27 19  1  0
 15 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
  8 34  1  0
 34 35  1  0
 35  5  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15679

> <plate>
PLATE 005

> <well>
G5

> <supplier_cmpd_name>
Pictilisib

> <ctcr_id>
11433

> <supplier_cmpd_id>
T1994

> <smiles>
CS(=O)(=O)N1CCN(CC2=CC3=C(S2)C(=NC(=N3)C2=C3C=NNC3=CC=C2)N2CCOCC2)CC1

> <pd_targets>
{NTRK1,PIK3CG,MTOR,CLK4,HIPK1,PIK3CB,PIK3CA,PIK3C2G,DAPK1,GAK,DAPK3,CAMK1G,HIPK2,PIK3R1,IRAK3,PIK3C2B,PI4KB,MAPK8,HIPK3,FLT3,PIK3CD,CLK1,STK16,CSNK1D,PRKDC,MYLK4,MAP3K19,CAMK1,CDK7,JAK1,TYK2,RPS6KA3,C
ILK1,PLK4,AAK1,CLK2,MAPK9,CSNK1E,CDK18,EPHB6,MELK,TTK,RIOK2,PIK3C3,PIK3R2,RPS6KA6,MAPK10,PIK3C2A,PIK3R5,CDK16,CSNK2A2,DYRK2,KCNH2,ABCB11,ABCC4,HIPK4,LRRK2,DYRK1B,AKT1,PIK3R3}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Ion channel",Transporter,Kinase,Transferase,"Voltage-gated ion channel","Primary active transporter","Protein Kinase","Potassium channels","ATP-binding cassette","TK pr
otein kinase group","Atypical protein kinase group","CMGC protein kinase group","CAMK protein kinase group","Other protein kinase group","TKL protein kinase group","CK1 protein kinase group","STE prot
ein kinase group","AGC protein kinase group","Voltage-gated potassium channel","ABCB subfamily","ABCC subfamily","Tyrosine protein kinase Trk family","Atypical protein kinase PIKK family","CMGC protei
n kinase CLK family","CMGC protein kinase DYRK family","CAMK protein kinase DAPK family","Other protein kinase NAK family","CAMK protein kinase CAMK1 family","TKL protein kinase IRAK family","CMGC pro
tein kinase MAPK family","Tyrosine protein kinase PDGFR family","CK1 protein kinase CK1 family","CAMK protein kinase MLCK family","STE protein kinase STE11 family","CMGC protein kinase CDK family","Ty
rosine protein kinase JakA family","AGC protein kinase RSK family","CMGC protein kinase RCK family","Other protein kinase PLK family","Other protein kinase TTK family","Atypical protein kinase RIO fam
ily","Other protein kinase CK2 family","TKL protein kinase LRRK family","AGC protein kinase AKT family","Atypical protein kinase FRAP subfamily","CMGC protein kinase HIPK subfamily","CMGC protein kina
se JNK subfamily","CMGC protein kinase CDK7 subfamily","AGC protein kinase RSK subfamily","CMGC protein kinase MAK","CMGC protein kinase PCTAIRE","CAMK protein kinase MELK subfamily","Atypical protein
 kinase RIO2 subfamily","CMGC protein kinase TAIRE subfamily","CMGC protein kinase Dyrk2 subfamily","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)","Glycerophospholipid turnover","Voltage-gated ion channels","ATP-binding cassette transporter family","Recep
tor kinases","Lipid modifying kinases",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","Phosphatidylinositol kinases","CK1: Casein kinase 
1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","Potassium channels","ABCB subfamily","ABCC subfamily","TK: Tyrosine kinase",Phosphatid
ylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","CLK family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family
","Phosphatidylinositol-4-phosphate 3-kinase family","Death-associated kinase (DAPK) family","Other protein kinases","CAMK1 family","TKL: Tyrosine kinase-like","1-phosphatidylinositol 4-kinase family"
,"Mitogen-activated protein kinases (MAP kinases)","Casein kinase 1 (CK1) family","Myosin Light Chain Kinase (MLCK) family","STE20 family","Cyclin-dependent kinase (CDK) family","RSK family","RCK fami
ly","CAMK-like (CAMKL) family","RIO family","Phosphatidylinositol 3-kinase family","Voltage-gated potassium channels","Akt (Protein kinase B","PKB) family","Receptor tyrosine kinases (RTKs)","FRAP sub
family","HIPK subfamily","Numb-associated kinase (NAK) family","Interleukin-1 receptor-associated kinase (IRAK) family","JNK subfamily","NAK family","Other PIKK family kinases","STE20 subfamily","CDK7
 subfamily","Non-receptor tyrosine kinases (nRTKs)","RSK subfamily","Polo-like kinase (PLK) family","TAIRE subfamily","MELK subfamily","TTK family","RIO2 subfamily","Casein kinase 2 (CK2) family","Dyr
k2 subfamily","Leucine-rich repeat kinase (LRRK) family","Dyrk1 subfamily","Type VII RTKs: Neurotrophin receptor/Trk family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Janus kinase (JakA)
 family","Type XIII RTKs: Ephrin receptor family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Gene expression (Transcription)",Disease,"Programmed Cell Death","Vesicle-mediated transport","Immune System","Cell Cycle","Neuronal System","Developmental Biology",
"Metabolism of RNA","Muscle contraction",Hemostasis,"Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor 
receptors and second messengers",Apoptosis,"Membrane Trafficking","Innate Immune System","Cytokine Signaling in Immune system",Mitotic,"Transmission across Chemical Synapses","Infectious disease","Ner
vous system development","rRNA processing","Cardiac conduction","Platelet activation","signaling and aggregation","Signaling by Non-Receptor Tyrosine Kinases","Signaling by NTRKs","Phospholipid metabo
lism","Generic Transcription Pathway","Signaling by Insulin receptor","Signaling by FGFR in disease","Caspase activation via extrinsic apoptotic signalling pathway","trans-Golgi Network Vesicle Buddin
g","Toll-like Receptor Cascades","Signaling by Interleukins","Mitotic G2-G2/M phases","Cytosolic sensors of pathogen-associated DNA","Neurotransmitter receptors and postsynaptic signal transmission","
HIV Infection","Interferon Signaling","Clathrin-mediated endocytosis","Axon guidance","rRNA processing in the nucleus and cytosol","Phase 3 - rapid repolarisation","Metabolism of steroids","Response t
o elevated platelet cytosolic Ca2+","Signaling by PTK6","Signaling by NTRK1 (TRKA)","PI Metabolism","Transcriptional Regulation by TP53","Insulin receptor signalling cascade","Signaling by FGFR1 in di
sease","Caspase activation via Dependence Receptors in the absence of ligand","Golgi Associated Vesicle Biogenesis","Toll Like Receptor 2 (TLR2) Cascade","Toll Like Receptor 5 (TLR5) Cascade",Interleu
kin-3,"Interleukin-5 and GM-CSF signaling","G2/M Transition","STING mediated induction of host immune responses","Activation of NMDA receptors and postsynaptic events","HIV Life Cycle","Antiviral mech
anism by IFN-stimulated genes","Interferon alpha/beta signaling","Cargo recognition for clathrin-mediated endocytosis","EPH-Ephrin signaling","Major pathway of rRNA processing in the nucleolus and cyt
osol","Bile acid and bile salt metabolism","Platelet degranulation","PTK6 promotes HIF1A stabilization","Signalling to ERKs","Synthesis of PIPs at the plasma membrane","Regulation of TP53 Activity","I
RS-mediated signalling","FGFR1 mutant receptor activation","Synthesis of PIPs at the Golgi membrane","Toll Like Receptor TLR6:TLR2 Cascade","MyD88 cascade initiated on plasma membrane","Interleukin re
ceptor SHC signaling","Centrosome maturation","IRF3-mediated induction of type I IFN","Post NMDA receptor activation events","Late Phase of HIV Life Cycle","ISG15 antiviral mechanism","Regulation of I
FNA signaling","EPHB-mediated forward signaling","Synthesis of PIPs at the early endosome membrane","Synthesis of bile acids and bile salts","Prolonged ERK activation events","Regulation of TP53 Expre
ssion and Degradation","Regulation of TP53 Activity through Phosphorylation","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","MAP k
inase activation","Loss of proteins required for interphase microtubule organization from the centrosome","Activation of RAC1 downstream of NMDARs","Transcription of the HIV genome","CREB1 phosphoryla
tion through NMDA receptor-mediated activation of RAS signaling","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","ARMS-mediated activation","Regulation of TP53 Degradation","MAP
K targets/ Nuclear events mediated by MAP kinases","Loss of Nlp from mitotic centrosomes","HIV Transcription Elongation","RSK activation","Activation of the AP-1 family of transcription factors","Tat-
mediated elongation of the HIV-1 transcript","CREB phosphorylation","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{957054-30-7,957054307,GDC-0941,GDC0941,PICTILISIB,Pictrelisib,"GDC 0941",UNII-ICY00EMP8P,UNIIICY00EMP8P,"Pictilisib (GDC-0941)","Pictilisib (GDC0941)",ICY00EMP8P,"GDC-0941 (Pictilisib)","GDC0941 (Pic
tilisib)",CHEBI:65326,"957054-30-7 (free base)","957054307 (free base)",C23H27N7O3S2,GD9,957054-50-1,957054501,"Pictilisib (USAN:INN)","Pictilisib (US",T1994,Pictilisib}

> <pdid>
PD003253

> <targets>
{PI3K,p110¦Á,p110¦Â,p110¦Ã,p110¦Ä}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{17755052}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
   11.8498    3.9328    0.0000 C   0  0
   10.3498    3.9230    0.0000 C   0  0
    9.5901    5.2174    0.0000 C   0  0
   10.3335    6.5202    0.0000 C   0  0
    9.5769    7.8154    0.0000 N   0  0
    8.0769    7.8078    0.0000 C   0  0
    7.3335    6.5050    0.0000 N   0  0
    8.0900    5.2096    0.0000 C   0  0
    7.3442    3.9074    0.0000 N   0  0
    8.0987    2.6109    0.0000 C   0  0
    7.3533    1.3093    0.0000 C   0  0
    5.8532    1.3040    0.0000 N   0  0
    5.1047    0.0031    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -2.5998    3.0004    0.0000 F   0  0
   -3.8976    0.7500    0.0000 F   0  0
   -3.8982    2.2498    0.0000 F   0  0
    5.0987    2.6005    0.0000 C   0  0
    5.8442    3.9021    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 14  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 16  1  0
 20 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 12 27  1  0
 27 28  1  0
 28  9  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15680

> <plate>
PLATE 005

> <well>
G6

> <supplier_cmpd_name>
PF-4708671

> <ctcr_id>
11434

> <supplier_cmpd_id>
T2002

> <smiles>
CCc1cncnc1N1CCN(Cc2nc3c([nH]2)cc(cc3)C(F)(F)F)CC1

> <pd_targets>
{RPS6KB1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase RSK family","AGC protein kinase p70 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","RSK family","p70 subfamily"}

> <pathway_reactome>
{"Signal Transduction","MTOR signalling","mTORC1-mediated signalling"}

> <broad_targets>
{RPS6KB1}

> <broad_moa>
{"ribosomal protein inhibitor"}

> <synonyms>
{F470867,PF-4708671,PF4708671,1255517-76-0,1255517760,"PF 4708671",PF-04708671,PF04708671,MFCD18086922,C19H21F3N6,5FI,MLS006011193,GTPL8036,CHEMBL2134202,SCHEMBL17714406,AOB5417,DTXSID10680074,EX-A248
,EXA248,SYN1177,HMS3263P20,HMS3651E14,HMS3673K17,BCP07961,Tox21_501279,Tox21501279,Tox21-501279,"Tox21 501279",2644AH,s216,T2002}

> <pdid>
PD003285

> <targets>
{"p70 S6K"}

> <classes>
{"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{51371303}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 37 43  0  0  0  0            999 V2000
    5.6344   -6.9282    0.0000 O   0  0
    5.3497   -5.4554    0.0000 C   0  0
    6.3738   -4.3594    0.0000 N   0  0
    5.6479   -3.0468    0.0000 C   0  0
    6.2748   -1.6841    0.0000 O   0  0
    4.1959   -3.3461    0.0000 C   0  0
    3.9908   -4.8201    0.0000 C   0  0
    2.6721   -5.5365    0.0000 C   0  0
    1.3985   -4.7665    0.0000 C   0  0
    0.2789   -5.7646    0.0000 N   0  0
    0.8821   -7.1371    0.0000 C   0  0
    0.2652   -8.5044    0.0000 C   0  0
    1.1409   -9.7223    0.0000 C   0  0
    2.6334   -9.5729    0.0000 C   0  0
    3.2503   -8.2056    0.0000 C   0  0
    2.3746   -6.9877    0.0000 N   0  0
    3.0226   -2.4104    0.0000 C   0  0
    3.0899   -0.9120    0.0000 C   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 N   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.4476   -2.9002    0.0000 C   0  0
   -0.6591   -4.1763    0.0000 C   0  0
    0.8402   -4.1314    0.0000 C   0  0
    1.5767   -2.8095    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
   -2.5283    2.0123    0.0000 C   0  0
   -2.3073    3.4959    0.0000 O   0  0
   -3.9246    1.4620    0.0000 N   0  0
   -5.1006    2.3932    0.0000 C   0  0
   -6.4951    1.8403    0.0000 C   0  0
   -6.7135    0.3563    0.0000 C   0  0
   -5.5375   -0.5749    0.0000 C   0  0
   -4.1431   -0.0220    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16  8  1  0
 16 11  1  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 17  1  0
 28 29  2  0
 29 19  1  0
 29 24  1  0
 22 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 32  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15681

> <plate>
PLATE 005

> <well>
G7

> <supplier_cmpd_name>
LY2090314

> <ctcr_id>
906

> <supplier_cmpd_id>
T1755

> <smiles>
O=C1NC(=O)C(=C1c2cnc3ccccn23)c4cn5CCN(Cc6cccc4c56)C(=O)N7CCCCC7

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CHEMBL362588,603281-60-3,603281603,SCHEMBL19075511,DTXSID20461492,BDBM50150702,S7063,LY2090314}

> <pdid>

> <targets>
{GSK-3}

> <classes>
{}

> <pubchem_cids>
{11294864}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -5.1971    2.9990    0.0000 C   0  0
   -6.4977    3.7464    0.0000 C   0  0
   -6.5007    5.2464    0.0000 C   0  0
   -5.2032    5.9990    0.0000 N   0  0
   -3.9027    5.2517    0.0000 C   0  0
   -2.6060    6.0074    0.0000 N   0  0
   -2.6113    7.5082    0.0000 C   0  0
   -1.3164    8.2655    0.0000 C   0  0
   -1.3247    9.7655    0.0000 C   0  0
   -2.6279   10.5083    0.0000 C   0  0
   -2.6362   12.0083    0.0000 O   0  0
   -3.9227    9.7511    0.0000 C   0  0
   -3.9144    8.2511    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15682

> <plate>
PLATE 005

> <well>
G8

> <supplier_cmpd_name>
ABT-751

> <ctcr_id>
2328

> <supplier_cmpd_id>
T1758

> <smiles>
COc1ccc(cc1)[S](=O)(=O)Nc2cccnc2Nc3ccc(O)cc3

> <pd_targets>
{TUBA1A,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB2B,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8}

> <pathway_gtopdb>
{"Structural protein"}

> <pathway_chembl>
{"Other protein targets",Tubulins}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Mitotic G2-G2/M phases","G2/M Transition","Centrosome maturation","Loss of proteins required for interphase microtubule organization from the centrosome","Loss of Nlp from mitot
ic centrosomes"}

> <broad_targets>
{TUBB}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{ABT-751,ABT751,"ABT 751",141430-65-1,141430651,"141430 65 1",E-7010,E7010,"E 7010","ABT-751 (E7010)","ABT751 (E7010)","ABT 751 (E7010)",UNII-WDT5V5OB9F,UNIIWDT5V5OB9F,"UNII WDT5V5OB9F",WDT5V5OB9F,CHE
MBL20684,N-(2-((4-HYDROXYPHENYL)AMINO)-3-PYRIDYL)-,N(2((4HYDROXYPHENYL)AMINO)3PYRIDYL),T1758,S1165}

> <pdid>
PD011108

> <targets>
{Microtubule Associated,Autophagy,Microtubule/Tubulin}

> <classes>
{Cytoskeletal Signaling,Autophagy,Cell Cycle/DNA Damage,Cytoskeleton}

> <pubchem_cids>
{3035714}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    2.5988   -1.5004    0.0000 S   0  0
    2.5983   -3.0004    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -6.4994   -0.7568    0.0000 N   0  0
   -9.0976    3.7431    0.0000 O   0  0
   -6.4996    5.2432    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7508    0.0000 N   0  0
    5.1988   -1.5012    0.0000 C   0  0
    6.4994   -0.7539    0.0000 N   0  0
    7.7969   -1.5066    0.0000 C   0  0
    7.7939   -3.0066    0.0000 C   0  0
    6.4933   -3.7539    0.0000 C   0  0
    5.1958   -3.0013    0.0000 C   0  0
  1  2  2  0
  1  3  2  0
  1  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 13 17  1  0
 12 18  1  0
  7 19  1  0
 19 20  2  0
 20  4  1  0
  1 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15683

> <plate>
PLATE 005

> <well>
G9

> <supplier_cmpd_name>
MS436

> <ctcr_id>
11436

> <supplier_cmpd_id>
T1854

> <smiles>
S(=O)(=O)(c1ccc(/N=N/c2cc(c(cc2N)O)C)cc1)Nc1ncccc1

> <pd_targets>
{BRD4,KAT2B,BRD7,BRD3,BAZ2B,SMARCA4,CREBBP,BPTF}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Writer,Bromodomain,"Histone acetyltransferase","GNAT family","p300/CBP family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","2.3.1.48 Histone acetyltransferases (HATs)","Non-enzymatic
 BRD containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","SARS-CoV Infection
s","Signaling by NOTCH1 in Cancer","Generic Transcription Pathway","Potential therapeutics for SARS","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Transcriptional Regulation by TP53","Transc
riptional regulation by RUNX1","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Regulation of TP53 Activity","RUNX1 interacts with co-factors whose precise effect on RUNX1 targets is not kno
wn","TP53 Regulates Transcription of Cell Death Genes","Regulation of TP53 Activity through Acetylation","TP53 Regulates Transcription of Genes Involved in Cytochrome C Release"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MS436,1395084-25-9,1395084259,MS-436,"MS 436",CHEMBL3086883,C18H17N5O3S,GTPL7509,SCHEMBL15496578,SCHEMBL18263639,SCHEMBL18263641,SCHEMBL18398866,AOB6111,EX-A691,EXA691,BCP09947,BDBM50443232,FD5026,s7
305,ZINC97758762,AKOS024458527,AKOS026750236,AKOS032947339,ZINC20182,T1854}

> <pdid>
PD012659

> <targets>
{"BRD4 (1)","BRD4 (2)"}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{135566899}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -3.9069    5.2492    0.0000 N   0  0
   -5.2089    5.9957    0.0000 C   0  0
   -5.3543    7.4758    0.0000 C   0  0
   -6.8231    7.7802    0.0000 C   0  0
   -7.4401    9.1474    0.0000 C   0  0
   -7.5665    6.4774    0.0000 N   0  0
   -6.5572    5.3678    0.0000 N   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4939    0.7411    0.0000 S   0  0
   -6.4894   -0.7597    0.0000 C   0  0
   -7.7846   -1.5163    0.0000 C   0  0
   -7.7770   -3.0163    0.0000 C   0  0
   -6.4742   -3.7597    0.0000 C   0  0
   -6.4636   -5.2605    0.0000 N   0  0
   -5.1590   -6.0025    0.0000 C   0  0
   -3.8651   -5.2437    0.0000 O   0  0
   -5.1483   -7.5033    0.0000 C   0  0
   -4.3923   -8.7072    0.0000 C   0  0
   -5.8923   -8.7147    0.0000 C   0  0
   -5.1790   -3.0032    0.0000 C   0  0
   -5.1866   -1.5032    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 12  2  0
 10 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 28  1  0
 24 31  1  0
 31 32  2  0
 32 21  1  0
 19 33  2  0
 33  8  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15684

> <plate>
PLATE 005

> <well>
G10

> <supplier_cmpd_name>
Tozasertib

> <ctcr_id>
5907

> <supplier_cmpd_id>
T2509

> <smiles>
CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(Sc4ccc(NC(=O)C5CC5)cc4)n2

> <pd_targets>
{MAPKAPK2,NTRK1,MAP4K4,MAP4K1,STK4,AAK1,LYN,SRC,KDR,KIT,PDGFRA,CAMK1,NUAK1,MAP4K3,CHEK1,BRSK1,TYRO3,ROS1,RPS6KA2,CDKL5,TBK1,RIOK2,TAOK1,DDR1,MERTK,MET,TIE1,ABL1,FGFR1,LCK,PRKAA1,CSK,PRPF4B,CDKL2,MAP2K
5,AURKC,FLT3,AURKAIP1,INSR,PRKAA2,CDK16,JAK2,RET,MYLK,IKBKE,STK11,MARK3,AURKA,AURKB,PLK4,ALK,AURKB-A,PAK4,PAK2,MST1R,EIF2AK4,INSRR,NTRK3,EPHA2,EPHA1,TYK2,LIMK1,TESK1,PHKG1,PIP5K1A,MAP3K10,MYLK2,JAK3,N
EK5,PKN1,WEE2,SBK3,MELK,SYK,TNK1,SIK1,BCR,YES1,MAP2K2,CSNK2A1,MAP3K9,RIOK1,MAP3K11,CAMK1D,PAK3,PAK1,LIMK2,EPHA3,STK10,STK26,IGF1R,EPHB1,EPHB4,MYLK4,BTK,TEC,TGFBR1,PKNB,MAPK10,TNIK,PTK2B,DCLK3,MYLK3,CS
NK2A2,FGFR3,MAP3K4,STK24,MAP2K1,SIK2,MAP3K13,FER,PKN2,ABL2,STK3,GAK,ACVR1,BLK,FYN,FLT1,RIOK3,DDR2,ACVRL1,LATS1,LATS2,PRKCQ,PRKD2,FGFR4,FGR,MAP3K12,RIPK1,MINK1,MAP3K3,EPHB6,SRPK3,RIPK4,CDK11A,CSF1R,FRK
,MAP3K19,EPHA4,FGFR2,ITK,CDKL3,ERBB3,SLK,TEK,TAOK3,BMPR2,RPS6KB1,PDGFRB,NTRK2,FES,MAPK14,SRPK1,PAK5,MAP2K6,BMX,MAP4K5,RPS6KA3,MARK2,MARK1,DAPK3,TXK,IRAK3,RPS6KA1,JAK1,PHKG2,STK16,CDK11B,STK25,MARK4,WE
E1,TLK1,MUSK,AXL,CDK19,MAP3K7,LRRK2,NUAK2,BMP2K,PIP4K2B,TAOK2,BMPR1B,ANKK1,ERN1,CDK17,CAMKK1,ULK3,SRPK2,HUNK,EPHA6,EGFR,FLT4,EPHA8,GRK4,LTK,TNK2,NEK7,MAP3K20,MKNK2,MAP3K2,TTK,PAK6,HCK,MAPK7,DLK1,CYP19
A1,MAP4K2,IRAK4,EPHB2,STK17A,P2RY14,PRKCZ,STK38L,PDPK1,CAMK1G}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor",Kinase,Transferase,"Cytochrome P450","Family A G protein-coupled receptor","Protein Kinase","Cytochrome P450 family 19","Small molecule receptor (fam
ily A GPCR)","CAMK protein kinase group","TK protein kinase group","STE protein kinase group","Other protein kinase group","AGC protein kinase group","CMGC protein kinase group","Atypical protein kina
se group","TKL protein kinase group","Cytochrome P450 family 19A","Nucleotide-like receptor (family A GPCR)","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase Trk family","STE protein kina
se STE20 family","Other protein kinase NAK family","Tyrosine protein kinase Src family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","CAMK protein kinase CAMK1 family"
,"Tyrosine protein kinase Axl family","Tyrosine protein kinase Sev family","AGC protein kinase RSK family","CMGC protein kinase CDKL family","Other protein kinase IKK family","Atypical protein kinase 
RIO family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Met family","Tyrosine protein kinase Tie family","Tyrosine protein kinase Abl family","Tyrosine protein kinase FGFR family","T
yrosine protein kinase Csk family","STE protein kinase STE7 family","Other protein kinase AUR family","Tyrosine protein kinase InsR family","CMGC protein kinase CDK family","Tyrosine protein kinase Ja
kA family","Tyrosine protein kinase Ret family","CAMK protein kinase MLCK family","Other protein kinase PLK family","TKL protein kinase STKR family","Other protein kinase PEK family","Tyrosine protein
 kinase Eph family","TKL protein kinase LISK family","CAMK protein kinase PHk family","TKL protein kinase MLK family","Other protein kinase NEK family","AGC protein kinase PKN family","Other protein k
inase WEE family","Other protein kinase NKF1 family","Tyrosine protein kinase Syk family","Tyrosine protein kinase Ack family","Atypical protein kinase BCR family","Other protein kinase CK2 family","T
yrosine protein kinase Tec family","CMGC protein kinase MAPK family","Tyrosine protein kinase Fak family","CAMK protein kinase DCAMK1 family","STE protein kinase STE11 family","Tyrosine protein kinase
 Fer family","AGC protein kinase NDR family","AGC protein kinase PKC family","CAMK protein kinase PKD family","TKL protein kinase RIPK family","CMGC protein kinase SRPK family","Tyrosine protein kinas
e EGFR family","CAMK protein kinase DAPK family","TKL protein kinase IRAK family","Other protein kinase TLK family","Tyrosine protein kinase Musk family","TKL protein kinase LRRK family","Other protei
n kinase CAMKK family","Other protein kinase ULK family","AGC protein kinase GRK family","Tyrosine protein kinase Alk family","Other protein kinase TTK family","Cytochrome P450 19A1","Purine receptor"
,"AGC protein kinase PDK1 subfamily","CAMK protein kinase MAPKAPK subfamily","STE protein kinase MSN subfamily","STE protein kinase KHS subfamily","STE protein kinase MST subfamily","CAMK protein kina
se NuaK subfamily","CAMK protein kinase CHK1 subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinase RSK subfamily","Atypical protein kinase RIO2 subfamily","STE protein kinase TAO subfami
ly","CAMK protein kinase AMPK subfamily","CMGC protein kinase TAIRE subfamily","CAMK protein kinase LKB subfamily","CAMK protein kinase MARK subfamily","TKL protein kinase STKR Type 1 subfamily","STE 
protein kinase PAKB subfamily","STE protein kinase PAKA subfamily","Other protein kinase GCN2 subfamily","TKL protein kinase LIMK subfamily","TKL protein kinase TESK subfamily","TKL protein kinase MLK
 subfamily","Other protein kinase WEE1","CAMK protein kinase MELK subfamily","CAMK protein kinase QIK subfamily","Atypical protein kinase RIO1 subfamily","STE protein kinase SLK subfamily","STE protei
n kinase YSK subfamily","CMGC protein kinase JNK subfamily","TKL protein kinase LZK subfamily","TKL protein kinase STKR1","Tyrosine protein kinase SrcA","Atypical protein kinase RIO3 subfamily","AGC p
rotein kinase PKC delta subfamily","STE protein kinase MEKK2","CMGC protein kinase PITSLRE subfamily","TKL protein kinase STKR Type 2 subfamily","AGC protein kinase p70 subfamily","CMGC protein kinase
 p38 subfamily","CMGC protein kinase CDK8 subfamily","TKL protein kinase TAK1 subfamily","CMGC protein kinase PCTAIRE","Other protein kinase Meta subfamily","AGC protein kinase GRK subfamily","CAMK pr
otein kinase MNK subfamily","CMGC protein kinase ERK5","AGC protein kinase PKC iota subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Cytochrome P450","G protein-coupled receptors","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor kinases","STE: Homologs o
f yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Atypical,"Lipid modifying kinases",CYP11,CYP17,CYP19,"CYP2
0 and CYP21 families","P2Y receptors","MAPK-Activated Protein Kinase (MAPKAPK) family","TK: Tyrosine kinase","STE20 family","Other protein kinases","CAMK1 family","CAMK-like (CAMKL) family","RSK famil
y","Cyclin-dependent kinase-like (CDKL) family","RIO family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","STE7 family","Cyclin-dependent kinase (CDK) family","Myosin
 Light Chain Kinase (MLCK) family","TKL: Tyrosine kinase-like","Phosphorylase kinase (PHK) family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","Protein kinase N (PKN) fam
ily","Mitogen-activated protein kinases (MAP kinases)","DCAMKL family","STE11 family","NDR family","Protein kinase C (PKC) family","Protein kinase D (PKD) family","SRPK family","Death-associated kinas
e (DAPK) family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","G protein-coupled receptor kinases (GRKs)","PDK1 family","MAPKAPK subfamily","Receptor tyrosine kinases (RT
Ks)","MSN subfamily","KHS subfamily","MST subfamily","NAK family","Non-receptor tyrosine kinases (nRTKs)","NuaK subfamily","CHK1 subfamily","BRSK subfamily","RSK subfamily","IKK family","RIO2 subfamil
y","TAO subfamily","AMPK subfamily","PRP4 subfamily","Aurora kinase (Aur) family","TAIRE subfamily","LKB subfamily","MARK subfamily","Polo-like kinase (PLK) family","PAKB subfamily","PAKA subfamily","
PEK family","LIM domain kinase (LISK) family","Mixed Lineage Kinase (MLK) family","NIMA (never in mitosis gene a)- related kinase (NEK) family","WEE family","NKF1 family","MELK subfamily","QIK subfami
ly","Casein kinase 2 (CK2) family","RIO1 subfamily","SLK subfamily","YSK subfamily","Receptor serine/threonine kinase (RSTK) family","JNK subfamily","Numb-associated kinase (NAK) family","RIO3 subfami
ly","Delta subfamily","Receptor interacting protein kinase (RIPK) family","PITSLRE subfamily","STE20 subfamily","p70 subfamily","p38 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family"
,"Tousled-like kinase (TLK) family","CDK8 subfamily","Leucine-rich repeat kinase (LRRK) family","IRE family","CAMKK family","Unc-51-like kinase (ULK) family","HUNK subfamily","GRK4 subfamily","MKN sub
family","TTK family","ERK subfamily","Iota subfamily","Type VII RTKs: Neurotrophin receptor/Trk family","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III
 RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XVII RTKs: ROS receptors","Type XVI RTKs: DDR (collagen receptor) family","Type X RTK
s: HGF (hepatocyte growth factor) receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Abl family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Csk family","Type I
I RTKs: Insulin receptor family","Janus kinase (JakA) family","Type XIV RTKs: RET","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","GCN2 subfamily","Type XIII RTKs: Ephrin receptor fa
mily","LIMK subfamily","TESK subfamily","MLK subfamily","Syk family","Ack family","Tec family","Type I receptor serine/threonine kinases","Fak family","LZK subfamily","Fer family","Type I RTKs: ErbB (
epidermal growth factor) receptor family","Type II receptor serine/threonine kinases","Type IX RTKs: MuSK","TAK1 subfamily","Meta subfamily"}

> <pathway_reactome>
{"Immune System","Signal Transduction","Cellular responses to external stimuli","Vesicle-mediated transport",Disease,"Neuronal System","Gene expression (Transcription)","DNA Repair","Metabolism of RNA
","Cell Cycle","Extracellular matrix organization",Hemostasis,"Developmental Biology","Metabolism of proteins","Cell-Cell communication",Metabolism,"Circadian Clock","Programmed Cell Death","Organelle
 biogenesis and maintenance","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Cellular responses to stress","Signaling by Hippo","Membrane Trafficking","Infectious disease","Diseases o
f signal transduction by growth factor receptors and second messengers","Transmission across Chemical Synapses","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","rRNA processing",Mit
otic,"Non-integrin membrane-ECM interactions","Cell surface interactions at the vascular wall","Nervous system development",Translation,"Intracellular signaling by second messengers","Signaling by Rho
 GTPases","Cytokine Signaling in Immune system","Cell junction organization","Metabolism of carbohydrates","Metabolism of lipids",Apoptosis,"Signaling by TGFB family members","Signaling by GPCR","Adap
tive Immune System","MAPK family signaling cascades","MTOR signalling","Cilium Assembly","Cell Cycle Checkpoints","ECM proteoglycans","Signaling by Non-Receptor Tyrosine Kinases","Unfolded Protein Res
ponse (UPR)","Signaling by Hedgehog","Signaling by NOTCH","Biological oxidations","Signaling by Nuclear Receptors","Toll-like Receptor Cascades","Signaling by NTRKs","Cellular Senescence","Clathrin-me
diated endocytosis","Leishmania infection","Signaling by VEGF","Signaling by KIT in disease","Signaling by PDGFR in disease","Neurotransmitter receptors and postsynaptic signal transmission","Generic 
Transcription Pathway","Homology Directed Repair","rRNA processing in the nucleus and cytosol","M Phase","Axon guidance","Signaling by FGFR in disease","HIV Infection","Oncogenic MAPK signaling","Sign
aling by Insulin receptor","Mitochondrial translation","PIP3 activates AKT signaling","Mitotic G1 phase and G1/S transition","RHO GTPase Effectors","Mitotic G2-G2/M phases","Signaling by MST1","Respon
se of EIF2AK4 (GCN2) to amino acid deficiency","Interferon Signaling","Cell-extracellular matrix interactions","Glycogen metabolism","Phospholipid metabolism","Signaling by Interleukins","Neutrophil d
egranulation","Apoptotic execution phase","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Signaling by TGF-beta Receptor Complex in Cancer","Signaling by SCF-KIT","trans-Golgi Net
work Vesicle Budding","Signaling by BMP","GPCR downstream signalling","Sphingolipid metabolism","Signaling by FGFR","TCR signaling","MAPK1/MAPK3 signaling","mTORC1-mediated signalling","Caspase activa
tion via extrinsic apoptotic signalling pathway","Fc epsilon receptor (FCERI) signaling","Anchoring of the basal body to the plasma membrane","G2/M Checkpoints","Regulation of lipid metabolism by PPAR
alpha","Signaling by PTK6","IRE1alpha activates chaperones","Hedgehog 'on' state","Signaling by NOTCH1","Phase I - Functionalization of compounds","GPCR ligand binding","ESR-mediated signaling","Toll 
Like Receptor 5 (TLR5) Cascade","Signaling by NTRK1 (TRKA)","Oxidative Stress Induced Senescence","Cargo recognition for clathrin-mediated endocytosis","Leishmania parasite growth and survival","VEGFA
-VEGFR2 Pathway","Drug resistance of KIT mutants","Drug resistance of PDGFR mutants","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation by TP53","HDR through Homologous
 Recombination (HRR) or Single Strand Annealing (SSA)","Toll Like Receptor 4 (TLR4) Cascade","Major pathway of rRNA processing in the nucleolus and cytosol","Mitotic Metaphase and Anaphase","Semaphori
n interactions","Parasite infection","Signaling by FGFR1 in disease","Host Interactions of HIV factors","Signaling by RAS mutants","Insulin receptor signalling cascade","Mitochondrial translation elon
gation","Negative regulation of the PI3K/AKT network","G1 Phase","RET signaling","RHO GTPases activate PAKs","G2/M Transition","Signaling by ROBO receptors","Signaling by NTRK3 (TRKC)","EPH-Ephrin sig
naling","Interferon alpha/beta signaling","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","Glycogen breakdown (glycogenolysis)","PI Metabolism","Interleukin-2 fami
ly signaling","RHO GTPases activate PKNs","Apoptotic cleavage of cellular proteins","IGF1R signaling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Loss of Function of SMAD2/3 in Cancer"
,"Signaling by FGFR3 in disease","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX1","VEGF ligand-receptor interactions","G alpha (i) signalling events","Sphingolipid de novo b
iosynthesis","Signaling by FGFR4","Interleukin-1 family signaling","Transcriptional Regulation by VENTX","PTEN Regulation","Signaling by FGFR2 in disease","Generation of second messenger molecules","R
AF/MAP kinase cascade","Caspase activation via Dependence Receptors in the absence of ligand","FCERI mediated Ca+2 mobilization","Toll Like Receptor 2 (TLR2) Cascade","Antiviral mechanism by IFN-stimu
lated genes","G2/M DNA damage checkpoint","PPARA activates gene expression","PTK6 promotes HIF1A stabilization","G alpha (q) signalling events","Mitotic Prophase","Activated NOTCH1 Transmits Signal to
 the Nucleus","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Extra-nuclear estrogen signaling","MyD88 cascade initiated on plasma membrane","Signalling to ERKs"
,"Anti-inflammatory response favouring Leishmania parasite infection","VEGFR2 mediated cell proliferation","Dasatinib-resistant KIT mutants","Imatinib-resistant PDGFR mutants","Post NMDA receptor acti
vation events","Regulation of TP53 Activity","HDR through Homologous Recombination (HRR)","MyD88-independent TLR4 cascade","Mitotic Anaphase","Sema4D in semaphorin signaling","Leishmania phagocytosis"
,"FGFR1 mutant receptor activation","The role of Nef in HIV-1 replication and disease pathogenesis","Signaling downstream of RAS mutants","Signalling to ERK5","IRS-mediated signalling",PI5P,"PP2A and 
IER3 Regulate PI3K/AKT Signaling","Cyclin D associated events in G1","Centrosome maturation","Activation of RAC1","Activated NTRK3 signals through PI3K","EPHA-mediated growth cone collapse","Regulatio
n of IFNA signaling","Synthesis of PIPs at the plasma membrane","Interleukin-15 signaling","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Ephrin sig
naling","EPHB-mediated forward signaling","IRS-related events triggered by IGF1R","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Interleukin-2 signaling","Signaling by FGFR3 point mutants in cance
r","Role of ABL in ROBO-SLIT signaling","RUNX1 regulates transcription of genes involved in BCR signaling","VEGF binds to VEGFR leading to receptor dimerization","Visual phototransduction","Downstream
 signaling of activated FGFR4","Interleukin-1 signaling","Regulation of PTEN stability and activity","FGFR2 mutant receptor activation","Activation of TRKA receptors","CRMPs in Sema3A signaling","Toll
 Like Receptor TLR6:TLR2 Cascade","ISG15 antiviral mechanism","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","Gastrin-CREB signalling pathway via PKC and MAPK","Nuclear Envelope Brea
kdown","Endogenous sterols","Nucleotide-like (purinergic) receptors","Estrogen-stimulated signaling through PRKCZ","MAP kinase activation","Prolonged ERK activation events","FCGR3A-mediated IL10 synth
esis","Signalling to RAS","Activation of RAC1 downstream of NMDARs","Regulation of TP53 Activity through Phosphorylation","Homologous DNA Pairing and Strand Exchange","TRIF(TICAM1)-mediated TLR4 signa
ling","Separation of Sister Chromatids","Sema4D mediated inhibition of cell attachment and migration","FCGR3A-mediated phagocytosis","Signaling by activated point mutants of FGFR1","Nef-mediates down 
modulation of cell surface receptors by recruiting them to clathrin adapters","PI3K Cascade","Loss of proteins required for interphase microtubule organization from the centrosome","Nef and signal tra
nsduction","Sema4D induced cell migration and growth-cone collapse","FGFR3 mutant receptor activation","The phototransduction cascade","FRS-mediated FGFR4 signaling","Recruitment of mitotic centrosome
 proteins and complexes","Activated point mutants of FGFR2","NGF-independant TRKA activation","Regulation of TP53 Activity through Acetylation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane",
"EGFR Transactivation by Gastrin","Activation of NIMA Kinases NEK9",NEK6,NEK7,"P2Y receptors","Regulation of TP53 Expression and Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","AR
MS-mediated activation","p38MAPK events","Presynaptic phase of homologous DNA pairing and strand exchange","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Nef Mediated CD4 Down-regulation","Lo
ss of Nlp from mitotic centrosomes","Frs2-mediated activation","Signaling by activated point mutants of FGFR3",Inactivation,"recovery and regulation of the phototransduction cascade","IKK complex recr
uitment mediated by RIP1","PI5P Regulates TP53 Acetylation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Regulation of TP53 Degradation","CREB phosphorylation","Activation of the AP
-1 family of transcription factors","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{X68,Tozasertib,639089-54-6,639089546,VX-680,VX680,MK-0457,MK0457,"MK 0457","VX 680","VX-680 (MK-0457,Tozasertib)","VX680 (MK0457,Tozasertib)",UNII-234335M86K,UNII234335M86K,VX-68,VX68,"Tozasertib (VX
-680)","Tozasertib (VX680)",MK-045,MK045,L-001281814,L001281814,CHEMBL572878,936915-58-1,936915581,VX6,234335M86K,"Tozasertib (USAN)","Tozasertib (USAN:INN)","VE 465",T2509,S1048,TOZASERTIB}

> <pdid>
PD003407

> <targets>
{Aurora,ABL,"AURORA KINASES",FLT3,"Aurora Kinase",Autophagy}

> <classes>
{Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{5494449}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    5.1663  -10.5034    0.0000 C   0  0
    6.4691   -9.7600    0.0000 C   0  0
    7.7644  -10.5165    0.0000 C   0  0
    9.0672   -9.7731    0.0000 C   0  0
    9.0747   -8.2731    0.0000 C   0  0
   10.3776   -7.5297    0.0000 F   0  0
    7.7795   -7.5165    0.0000 C   0  0
    7.7840   -6.0157    0.0000 N   0  0
    6.4870   -5.2605    0.0000 C   0  0
    5.1855   -6.0062    0.0000 O   0  0
    6.4915   -3.7597    0.0000 N   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.6924   -4.0811    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4767   -8.2600    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 18  1  0
 27 22  2  0
  7 28  2  0
 28  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15685

> <plate>
PLATE 005

> <well>
G11

> <supplier_cmpd_name>
Linifanib

> <ctcr_id>
2503

> <supplier_cmpd_id>
T2514

> <smiles>
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)c3cccc4[nH]nc(N)c34)c1

> <pd_targets>
{TEK,CSNK1G1,MAPK11,FLT1,PDGFRB,CDK19,CDK8,AKT1,FRK,NTRK2,CAMK2B,CDK11B,MUSK,DDR1,SRMS,EPHA6,AURKA,EPHA3,STK10,EPHB6,EPHB2,LATS2,MYLK2,ABL1,STK26,STK33,PLK4,EPHB3,KDR,FLT3,KIT,FLT4,RET,PDGFRA,BLK,MST1
R,TAOK1,HIPK4,MAP2K5,MKNK2,RPS6KA5,RIPK1,GAK,DDR2,CSF1R,EPHB4,MAPK9,MAPK14,MAPK15,FER,PRKG1,RPS6KA4,MAP4K3,MET,CSNK1D,STK3,PRKACA,TIE1,NTRK3,NTRK1,EGFR,CLK1,SRC,SGK3,AURKC,CAMK1,CDK13,LIMK2,HIPK3,LATS
1,STK32B,FGFR1,FGFR2,FGFR3,FGFR4,CDK1,SLK,TNIK,CDK11A,MARK2,LTK,CDK16,AURKB,MAP4K5,MERTK,MINK1,BMPR2,AXL,CDK9,MYO3B,ALK,CDC42BPG,CYP19A1,MKNK1,MAPK10,EPHA2,EPHA5,EPHA7,MAP4K1,STK4,INSR,IRAK4,PLK3,STK3
2A,CSNK2A1,RPS6KB1,TAOK3,LYN,CAMK2D,INSRR,MAPK13,MAP4K2,CDK7,CLK4,EPHB1,BRSK1,SRPK1,MAP3K19,ROCK2,PBK,DYRK3,CSNK1G2,CAMK2G,MAP2K2,PTK2,MAP3K20,SMO,BMPR1B,IRAK1,ROCK1,HIPK2,MELK,MAPK12,FES,P2RY14}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor",Kinase,"Cytochrome P450","Frizzled family G protein-coupled receptor","Family A G protein-coupled receptor","Protein Kinase","Cytochrome P450 family 
19","Smoothened receptor (frizzled family GPCR)","Small molecule receptor (family A GPCR)","TK protein kinase group","CK1 protein kinase group","CMGC protein kinase group","AGC protein kinase group","
CAMK protein kinase group","Other protein kinase group","STE protein kinase group","TKL protein kinase group","Cytochrome P450 family 19A","Nucleotide-like receptor (family A GPCR)","Tyrosine protein 
kinase Tie family","CK1 protein kinase CK1 family","CMGC protein kinase MAPK family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","CMGC protein kinase CDK family","AGC
 protein kinase AKT family","Tyrosine protein kinase Src family","Tyrosine protein kinase Trk family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase Musk family","Tyrosine protein kinase 
DDR family","Tyrosine protein kinase Eph family","Other protein kinase AUR family","STE protein kinase STE20 family","AGC protein kinase NDR family","CAMK protein kinase MLCK family","Tyrosine protein
 kinase Abl family","CAMK protein kinase unique family","Other protein kinase PLK family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Met family","CMGC protein kinase DYRK family","S
TE protein kinase STE7 family","CAMK protein kinase MAPKAPK family","AGC protein kinase RSK family","TKL protein kinase RIPK family","Other protein kinase NAK family","Tyrosine protein kinase Fer fami
ly","AGC protein kinase PKG family","AGC protein kinase PKA family","Tyrosine protein kinase EGFR family","CMGC protein kinase CLK family","AGC protein kinase SGK family","CAMK protein kinase CAMK1 fa
mily","TKL protein kinase LISK family","AGC protein kinase YANK family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Axl family","TKL protein kin
ase STKR family","AGC protein kinase DMPK family","Cytochrome P450 19A1","Tyrosine protein kinase InsR family","TKL protein kinase IRAK family","Other protein kinase CK2 family","CMGC protein kinase S
RPK family","STE protein kinase STE11 family","Other protein kinase TOPK family","Tyrosine protein kinase Fak family","TKL protein kinase MLK family","Purine receptor","CMGC protein kinase p38 subfami
ly","CMGC protein kinase CDK8 subfamily","CMGC protein kinase PITSLRE subfamily","Tyrosine protein kinase Srm","STE protein kinase SLK subfamily","STE protein kinase YSK subfamily","STE protein kinase
 TAO subfamily","CMGC protein kinase HIPK subfamily","CAMK protein kinase MNK subfamily","AGC protein kinase MSK subfamily","CMGC protein kinase JNK subfamily","STE protein kinase KHS subfamily","STE 
protein kinase MST subfamily","TKL protein kinase LIMK subfamily","CMGC protein kinase CDC2 subfamily","STE protein kinase MSN subfamily","CAMK protein kinase MARK subfamily","CMGC protein kinase TAIR
E subfamily","TKL protein kinase STKR Type 2 subfamily","CMGC protein kinase CDK9 subfamily","STE protein kinase NinaC subfamily","TKL protein kinase STKR Type 1 subfamily","AGC protein kinase GEK sub
family","AGC protein kinase p70 subfamily","CMGC protein kinase CDK7 subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinase ROCK subfamily","CMGC protein kinase Dyrk2 subfamily","TKL prot
ein kinase MLK subfamily","CAMK protein kinase MELK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","G protein-coupled receptors","Receptor kinases","CK1: Casein kinase 1","CMGC: Containing CDK",MAPK,GSK3,"CLK families
","AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",CYP11,CYP17,CYP19,"CYP20 and CYP21 
families","Class Frizzled GPCRs","P2Y receptors","TK: Tyrosine kinase","Casein kinase 1 (CK1) family","Mitogen-activated protein kinases (MAP kinases)","Cyclin-dependent kinase (CDK) family","Akt (Pro
tein kinase B","PKB) family","CAMK2 family","Other protein kinases","STE20 family","NDR family","Myosin Light Chain Kinase (MLCK) family","CAMK-unique family","Dual-specificity tyrosine-(Y)-phosphoryl
ation regulated kinase (DYRK) family","STE7 family","MAPK-Activated Protein Kinase (MAPKAPK) family","RSK family","TKL: Tyrosine kinase-like","Protein kinase G (PKG) family","Protein kinase A (PKA) fa
mily","CLK family","SGK family","CAMK1 family","YANK family","CAMK-like (CAMKL) family","DMPK family","SRPK family","Receptor tyrosine kinases (RTKs)","p38 subfamily","CDK8 subfamily","Non-receptor ty
rosine kinases (nRTKs)","PITSLRE subfamily","Aurora kinase (Aur) family","SLK subfamily","YSK subfamily","Polo-like kinase (PLK) family","TAO subfamily","HIPK subfamily","MKN subfamily","MSK subfamily
","Receptor interacting protein kinase (RIPK) family","Numb-associated kinase (NAK) family","JNK subfamily","Erk7 subfamily","KHS subfamily","MST subfamily","CRK7 subfamily","LIM domain kinase (LISK) 
family","CDK1 subfamily","MSN subfamily","MARK subfamily","TAIRE subfamily","Receptor serine/threonine kinase (RSTK) family","CDK9 subfamily","NinaC subfamily","GEK subfamily","Interleukin-1 receptor-
associated kinase (IRAK) family","Casein kinase 2 (CK2) family","p70 subfamily","CDK7 subfamily","BRSK subfamily","STE20 subfamily","Rho kinase","TOPK family","Dyrk2 subfamily","Mixed Lineage Kinase (
MLK) family","MELK subfamily","Type XII RTKs: TIE family of angiopoietin receptors","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 rece
ptor family","Src family","Type VII RTKs: Neurotrophin receptor/Trk family","Type IX RTKs: MuSK","Type XVI RTKs: DDR (collagen receptor) family","Type XIII RTKs: Ephrin receptor family","Abl family","
Type XIV RTKs: RET","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Fer family","Type I RTKs: ErbB (epidermal growth factor) receptor family","LIMK subfamily","Type XIX RTKs: Leukocyte 
tyrosine kinase (LTK) receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type II receptor serine/threonine kinases","Type II RTKs: Insulin receptor family","Type V RTKs: 
FGF (fibroblast growth factor) receptor family","Fak family","MLK subfamily","Type I receptor serine/threonine kinases"}

> <pathway_reactome>
{"Signal Transduction","Immune System",Metabolism,Disease,"Gene expression (Transcription)","Neuronal System","Cell Cycle","Extracellular matrix organization","Developmental Biology","Programmed Cell 
Death","Vesicle-mediated transport",Hemostasis,"Transport of small molecules","Cellular responses to external stimuli","Organelle biogenesis and maintenance","MAPK family signaling cascades","Innate I
mmune System","Signaling by Receptor Tyrosine Kinases","Intracellular signaling by second messengers","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second mess
engers","RNA Polymerase II Transcription","Transmission across Chemical Synapses",Mitotic,"ECM proteoglycans","Non-integrin membrane-ECM interactions","Signaling by Non-Receptor Tyrosine Kinases","Ner
vous system development","Signaling by Hippo","Infectious disease",Apoptosis,"Membrane Trafficking","Platelet homeostasis","Signaling by GPCR","Ion channel transport","Cellular responses to stress","C
ell surface interactions at the vascular wall","Signaling by TGFB family members","Biological oxidations","MTOR signalling","Cilium Assembly","MAPK1/MAPK3 signaling","Toll-like Receptor Cascades","Sig
naling by VEGF","PIP3 activates AKT signaling","Regulation of lipid metabolism by PPARalpha","Signaling by NOTCH1 in Cancer","Generic Transcription Pathway","Signaling by NTRKs","Neurotransmitter rece
ptors and postsynaptic signal transmission","Mitotic G2-G2/M phases","Signaling by PTK6","Axon guidance","Neutrophil degranulation","Leishmania infection","Apoptotic execution phase","Signaling by Ins
ulin receptor","Signaling by KIT in disease","Signaling by PDGFR in disease","Signaling by MST1","M Phase","trans-Golgi Network Vesicle Budding","Signaling by SCF-KIT","Nitric oxide stimulates guanyla
te cyclase","GPCR downstream signalling","Stimuli-sensing channels","Regulation of mitotic cell cycle","Cellular Senescence","Signaling by BMP","HIV Infection","Phase I - Functionalization of compound
s","Signaling by FGFR","Signaling by FGFR in disease","mTORC1-mediated signalling","Sphingolipid metabolism","Cargo trafficking to the periciliary membrane","GPCR ligand binding","RAF/MAP kinase casca
de","Toll Like Receptor 5 (TLR5) Cascade","VEGF ligand-receptor interactions","Negative regulation of the PI3K/AKT network","PPARA activates gene expression","Signaling by NOTCH1 HD+PEST Domain Mutant
s in Cancer","Transcriptional Regulation by TP53","PTEN Regulation","Signaling by NTRK1 (TRKA)","Activation of NMDA receptors and postsynaptic events","G2/M Transition","PTK6 Down-Regulation","EPH-Eph
rin signaling","Parasite infection","Apoptotic cleavage of cellular proteins","VEGFA-VEGFR2 Pathway","Insulin receptor signalling cascade","Drug resistance of KIT mutants","RET signaling","Drug resist
ance of PDGFR mutants","Transcriptional regulation by RUNX1","Mitotic Metaphase and Anaphase","Toll Like Receptor 4 (TLR4) Cascade","Golgi Associated Vesicle Biogenesis","Transcriptional Regulation by
 VENTX","cGMP effects","L1CAM interactions","Semaphorin interactions","Signaling by NTRK3 (TRKC)","G alpha (q) signalling events","APC/C-mediated degradation of cell cycle proteins","Oxidative Stress 
Induced Senescence","HIV Life Cycle","Cytochrome P450 - arranged by substrate type","Signaling by FGFR4","Toll Like Receptor 2 (TLR2) Cascade","Signaling by FGFR1 in disease","Leishmania parasite grow
th and survival","Sphingolipid de novo biosynthesis","Signaling by FGFR3 in disease","BBSome-mediated cargo-targeting to cilium","Class A/1 (Rhodopsin-like receptors)","MyD88 cascade initiated on plas
ma membrane","VEGF binds to VEGFR leading to receptor dimerization",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Regulation of TP53 Activ
ity","Regulation of PTEN stability and activity","Activation of TRKA receptors","Post NMDA receptor activation events","Centrosome maturation","EPHA-mediated growth cone collapse","EPHB-mediated forwa
rd signaling","Leishmania phagocytosis","VEGFR2 mediated cell proliferation","IRS-mediated signalling","Dasatinib-resistant KIT mutants","Imatinib-resistant PDGFR mutants","RUNX1 regulates transcripti
on of genes involved in BCR signaling","Mitotic Anaphase","Signalling to ERK5","MyD88-independent TLR4 cascade","Recycling pathway of L1","Sema4D in semaphorin signaling","Activated NTRK3 signals thro
ugh PI3K","Signalling to ERKs","Gastrin-CREB signalling pathway via PKC and MAPK","TP53 Regulates Transcription of DNA Repair Genes","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitoti
c proteins","Late Phase of HIV Life Cycle","Endogenous sterols","Negative regulation of FGFR4 signaling","Toll Like Receptor TLR6:TLR2 Cascade","FGFR1 mutant receptor activation","Anti-inflammatory re
sponse favouring Leishmania parasite infection","Signaling by FGFR3 point mutants in cancer","CRMPs in Sema3A signaling","Nucleotide-like (purinergic) receptors","MAP kinase activation","Regulation of
 TP53 Expression and Degradation","NGF-independant TRKA activation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Recruitment of mitotic centrosome proteins and c
omplexes","Regulation of TP53 Activity through Phosphorylation","FCGR3A-mediated phagocytosis","Loss of proteins required for interphase microtubule organization from the centrosome","PI3K Cascade","S
eparation of Sister Chromatids","TRIF(TICAM1)-mediated TLR4 signaling","Sema4D mediated inhibition of cell attachment and migration","Prolonged ERK activation events","EGFR Transactivation by Gastrin"
,"Signalling to RAS","Activation of RAC1 downstream of NMDARs","Sema4D induced cell migration and growth-cone collapse","APC/C:Cdc20 mediated degradation of mitotic proteins","Transcription of the HIV
 genome","Spry regulation of FGF signaling","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Signaling by activated point mutants of FGFR1","FCGR3A-mediated IL10 synthesis","FGFR3 mutant recep
tor activation","P2Y receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Ras activation upon Ca2+ influx through NMDA receptor","Loss of Nlp from mitoti
c centrosomes","IKK complex recruitment mediated by RIP1","ARMS-mediated activation","p38MAPK events","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle chec
kpoint","HIV Transcription Elongation","Frs2-mediated activation","Signaling by activated point mutants of FGFR3","activated TAK1 mediates p38 MAPK activation","Activation of the AP-1 family of transc
ription factors","CREB phosphorylation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1
 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BT869(LINIFANIB,Linifanib,796967-16-3,796967163,ABT-869,ABT869,"Linifanib (ABT-869)","Linifanib (ABT869)",1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(2-fluoro-5-methylphenyl)urea,1(4(3amino1Hindazol4yl)
phenyl)3(2fluoro5methylphenyl)urea,AL-39324,AL39324,"ABT 869",N-(4-(3-amino-1H-indazol-4-yl)phenyl)-N'-(2-fluoro-5-methylphenyl)urea,N(4(3amino1Hindazol4yl)phenyl)N'(2fluoro5methylphenyl)urea,UNII-CO9
3X137CW,UNIICO93X137CW,R,T2514,S1003,linifanib,ABT-869(Linifanib)}

> <pdid>
PD003290

> <targets>
{FLT-3,PDGFR,VEGFR,FLT3,Apoptosis,Autophagy,c-Fms,c-Kit}

> <classes>
{Apoptosis,Autophagy,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{11485656}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    5.5107   -8.7634    0.0000 C   0  0
    4.6332   -7.5468    0.0000 N   0  0
    5.1017   -6.1218    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.6747   -6.1134    0.0000 C   0  0
    3.1332   -7.5416    0.0000 C   0  0
    2.2459   -8.7488    0.0000 C   0  0
    0.7541   -8.5846    0.0000 C   0  0
   -0.1348   -9.7939    0.0000 C   0  0
    0.4681  -11.1674    0.0000 O   0  0
   -1.6267   -9.6297    0.0000 N   0  0
   -2.5151  -10.8383    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15  9  1  0
  4 16  1  0
 16 17  2  0
 17  2  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15686

> <plate>
PLATE 005

> <well>
H2

> <supplier_cmpd_name>
MC1568

> <ctcr_id>
7138

> <supplier_cmpd_id>
T2023

> <smiles>
Cn1cc(\C=C\C(=O)c2cccc(F)c2)cc1\C=C\C(=O)NO

> <pd_targets>
{HDA106,HD1B}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{852475-26-4,852475264,HDAC-IN-1,HDACIN1,"MC 1568",1239610-44-6,1239610446,CHEMBL191089,cc-402,cc402,MLS006011094,SCHEMBL14974121,SCHEMBL14974122,CHEBI:95072,GTPL11121,DTXSID40464187,BCPP000170,ABP000
149,BDBM50166164,MFCD16875423,s1484,ZINC13643576,AKOS024457966,BCP9000898,CCG-267627,CCG267627,T2023,S1484,MC1568}

> <pdid>
PD011171

> <targets>
{HDAC}

> <classes>
{}

> <pubchem_cids>
{11381449}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
    9.0769  -12.7722    0.0000 O   0  0
    7.7794  -12.0195    0.0000 N   0  0
    7.7815  -10.5187    0.0000 C   0  0
    9.0819   -9.7710    0.0000 O   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 20 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15687

> <plate>
PLATE 005

> <well>
H3

> <supplier_cmpd_name>
Rocilinostat

> <ctcr_id>
121

> <supplier_cmpd_id>
T2489

> <smiles>
ONC(=O)CCCCCCNC(=O)c1cnc(nc1)N(c2ccccc2)c3ccccc3

> <pd_targets>
{HDAC1,HDAC2,HDAC6,HDAC8,HDAC7,HDAC10,HDAC4,HDAC3,HDAC5,NCOR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIb","HDAC class IIa"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle","Disorders of Developmental Biology","RNA Polymerase II Transcription",Mitotic,"Diseases of signal transduction by growth factor receptors and s
econd messengers","Disorders of Nervous System Development","Generic Transcription Pathway","M Phase","Signaling by NOTCH1 in Cancer","Pervasive developmental disorders","Transcriptional Regulation by
 TP53","Transcriptional regulation by RUNX2","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Ac
tivity","RUNX2 regulates bone development","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Loss of MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through 
Acetylation","RUNX2 regulates osteoblast differentiation","Separation of Sister Chromatids","RUNX2 regulates chondrocyte maturation","Loss of MECP2 binding ability to the NCoR/SMRT complex"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC6,HDAC8}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{1316214-52-4,1316214524,ACY-1215,ACY1215,Ricolinostat,Rocilinostat,2-(Diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide,2(Diphenylamino)N(7(hydroxyamino)7oxoheptyl)pyrimidine5ca
rboxamide,"Rocilinostat (ACY-1215)","Rocilinostat (ACY1215)",UNII-WKT909C62B,UNIIWKT909C62B,ACY-63,ACY63,WKT909C62B,MFCD22666356,2-(Diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)-5-,2(Diphenylamino)N
(7(hydroxyamino)7oxoheptyl)5,T2489,S8001}

> <pdid>
PD010271

> <targets>
{HDAC,Apoptosis}

> <classes>
{Epigenetics,Apoptosis,Cell Cycle/DNA Damage}

> <pubchem_cids>
{53340666}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    7.5906    2.5895    0.0000 C   0  0
    6.0996    2.4249    0.0000 C   0  0
    5.2120    3.6341    0.0000 O   0  0
    5.4979    1.0528    0.0000 C   0  0
    6.2524   -0.2436    0.0000 C   0  0
    5.2526   -1.3618    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
    4.0317    0.7359    0.0000 S   0  0
    5.5609   -2.8279    0.0000 N   0  3
    6.9862   -3.2954    0.0000 O   0  0
    4.4437   -3.8288    0.0000 O   0  5
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
 15 16  1  0
  7 17  1  0
 17  4  1  0
  6 18  1  0
 18 19  2  0
 18 20  1  0
M  CHG  2  18   1  20  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15688

> <plate>
PLATE 005

> <well>
H4

> <supplier_cmpd_name>
P22077

> <ctcr_id>
3786

> <supplier_cmpd_id>
T2424

> <smiles>
CC(=O)c1cc(c(Sc2ccc(F)cc2F)s1)[N+](=O)[O-]

> <pd_targets>
{USP7,USP47}

> <pathway_gtopdb>
{Enzyme,Protease,"Cysteine protease","Cysteine protease CA clan","Cysteine protease C19 family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins","RNA Polymerase II Transcription","Post-translational protein modification","Generic Transcription Pathway",Deubiquitination,"Transcriptiona
l Regulation by TP53","Ub-specific processing proteases","Regulation of TP53 Activity","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{USP7}

> <broad_moa>
{"ubiquitin specific protease inhibitor"}

> <synonyms>
{1247819-59-5,1247819595,P22077,"P 22077","1-(5-(2,4-Difluoro-phenylsulfanyl)-4-nitro-thiophen-2-yl)-ethanone","1(5(2,4Difluorophenylsulfanyl)4nitrothiophen2yl)ethanone",CHEMBL2159498,"1-(5-(2,4-diflu
orophenyl)sulfanyl-4-nitrothiophen-2-yl)ethanone","1(5(2,4difluorophenyl)sulfanyl4nitrothiophen2yl)ethanone","1-(5-((2,4-Difluorophenyl)thio)-4-nitro-2-thienyl)-ethanone","1(5((2,4Difluorophenyl)thio)
4nitro2thienyl)ethanone",1-(5-(2,1(5(2,T2424,S7133}

> <pdid>
PD010606

> <targets>
{DUB}

> <classes>
{Ubiquitin}

> <pubchem_cids>
{46931953}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 20  0  0  1  0            999 V2000
    1.7999   -5.7187    0.0000 C   0  0
    2.5525   -4.4212    0.0000 C   0  0  2  0  0  0
    3.3694   -5.6356    0.0000 C   0  0
    4.7965   -5.1735    0.0000 C   0  0
    4.7981   -3.6735    0.0000 C   0  0
    3.3720   -3.2085    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 N   0  0
   -3.8983   -0.7459    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  2  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 13 17  2  0
 17  9  1  0
 17 18  1  0
 18  7  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15689

> <plate>
PLATE 005

> <well>
H5

> <supplier_cmpd_name>
Veliparib

> <ctcr_id>
3738

> <supplier_cmpd_id>
T2591

> <smiles>
C[C@@]1(CCCN1)c2[nH]c3cccc(C(N)=O)c3n2

> <pd_targets>
{PARP12,PARP3,PARP10,TNKS2,PARP1,PARP2,TNKS,PARP14,PARP4}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases"}

> <pathway_reactome>
{Disease,"Signal Transduction","DNA Repair","Infectious disease","Intracellular signaling by second messengers","Base Excision Repair","SARS-CoV Infections","PIP3 activates AKT signaling","Influenza I
nfection","Resolution of Abasic Sites (AP sites)","SARS-CoV-1 Infection","PTEN Regulation","Influenza Viral RNA Transcription and Replication","Resolution of AP sites via the multiple-nucleotide patch
 replacement pathway","Translation of structural proteins","Regulation of PTEN stability and activity","vRNA Synthesis","POLB-Dependent Long Patch Base Excision Repair","Maturation of nucleoprotein"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BT88,Veliparib,912444-00-9,912444009,ABT-888,ABT888,"ABT 888","ABT-888 (Veliparib)","ABT888 (Veliparib)",(R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo(d)imidazole-4-carboxamide,(R)2(2methylpyrrolidin2yl)1
Hbenzo(d)imidazole4carboxamide,"Veliparib free base",UNII-01O4K0631N,UNII01O4K0631N,2-((2R)-2-Methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide,2((2R)2Methylpyrrolidin2yl)1Hbenzimidazole4carboxami
de,2-((2R)-2,2((2R)2,T2591,S1004,veliparib}

> <pdid>
PD003637

> <targets>
{PARP,Autophagy}

> <classes>
{Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{11960529}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 26  0  0  0  0            999 V2000
   -0.2237   -5.5078    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    5.0460   -2.3579    0.0000 N   0  0
    6.2815   -1.5087    0.0000 C   0  0
    7.7400   -1.8590    0.0000 C   0  0
    8.7727   -0.7711    0.0000 C   0  0
    8.3468    0.6672    0.0000 C   0  0
    9.3795    1.7552    0.0000 O   0  0
    6.8883    1.0176    0.0000 C   0  0
    5.8557   -0.0704    0.0000 C   0  0
    4.3570   -0.0307    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
 15 16  1  0
 16  7  2  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23  4  1  0
 23 17  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15690

> <plate>
PLATE 005

> <well>
H6

> <supplier_cmpd_name>
Torkinib

> <ctcr_id>
1626

> <supplier_cmpd_id>
T2414

> <smiles>
CC(C)n1nc(c2[nH]c3ccc(O)cc3c2)c4c(N)ncnc14

> <pd_targets>
{DYRK1A,PI4KB,PIK3CA,PIK3CG,MTOR,ABL1,EGFR,EPHB4,MAP2K4,BRSK2,CSNK1A1L,CAMK1D,CLK2,EPHA3,FGR,FLT1,FLT3,IRAK4,KIT,MAP2K2,MLST8,RPTOR,MAP2K5,ANKK1,LCK,EPHA5,SIK2,PAK5,NLK,MYO3A,TNK2,BRD4,CSNK2A2,ERBB3,B
MPR1B,CDK8,AXL,BLK,MAP4K1,ABL2,PIM3,BRAF,EPHA6,MKNK1,ACVR2A,MAP3K3,PIK3C2B,MAP2K3,EIF2AK2,GAK,HIPK3,PLK4,BMP2K,HIPK2,STK35,MAP3K20,MAP3K7,PIP4K2C,MAP3K19,CSNK1G1,MAP4K4,MAP3K1,PRKCE,STK10,NTRK2,PLK2,C
DK19,MARK2,STK26,PDGFRA,PIM2,MERTK,PAK4,RPS6KA6,FGFR3,DAPK1,PIM1,STK17B,RET,LRRK2,CAMK2A,EPHA4,EPHA8,EPHB1,EPHB2,LTK,MAP2K1,CSNK1G2,FRK,HCK,LYN,PIK3CD,PLK3,EPHA2,TGFBR2,JAK3,CLK1,CSNK1D,DAPK3,FGFR2,MA
PKAP1,RICTOR,DDR1,ACVR2B,EPHB6,MAP4K2,STK16,ERBB2,TAOK1,PIK3CB,BTK,CDK4,MYO3B,CDK7,TNK1,DAPK2,AAK1,TNIK,MYLK,MAP3K9,AKT3,MKNK2,RIOK2,KDR,SIK3,CHEK2,JAK1,RIPK2,DMPK,STK33,FGFR4,FYN,PTK6,PHKG2,PRKACA,PR
KG2,RPS6KB1,RPS6KA4,FLT4,MINK1,RPS6KA1,PRKCH,CSF1R,CSK,CSNK1A1,GRK7,PAK2,STK32A,GRK1,JAK2,DYRK2,NTRK1,ACVR1B,ACVR1,PIK3C2G,IRAK3,TNNI3K,STK32B,RIPK4,CSNK2A1,HIPK1,STK3,MYLK3,PIP5K1C,SLK,BMPR2,BMX,ROS1
,BMPR1A,CSNK1G3,TTK,TEK,PAK6,RPS6KA3,TAOK2,RPS6KA5,PRKDC,COQ8B,PKNB,CDPK1,DSTYK,SRC,YES1,TYK2,FGFR1,EPHA1,CASK,ALK,BRSK1,CAMKK2,ULK3,IRAK1,TXK,TGFBR1,TESK1,LATS2,MELK,TAOK3,CLK4,HIPK4,SIK1,MAP3K2,COQ8
A,ULK2,PDGFRB,CSNK1E,MAPK14,DDR2,ACVRL1,NUAK2,DCLK3,PASK}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein",Kinase,Transferase,Reader,"Protein Kinase",Bromodomain,"CMGC protein kinase group","Atypical protein kinase group","TK protein kinase group","STE 
protein kinase group","CAMK protein kinase group","CK1 protein kinase group","TKL protein kinase group","Other protein kinase group","AGC protein kinase group","CMGC protein kinase DYRK family","Atypi
cal protein kinase PIKK family","Tyrosine protein kinase Abl family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Eph family","STE protein kinase STE7 family","CAMK protein kinase CA
MK1 family","CK1 protein kinase CK1 family","CMGC protein kinase CLK family","Tyrosine protein kinase Src family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","TKL pro
tein kinase IRAK family","TKL protein kinase RIPK family","STE protein kinase STE20 family","CMGC protein kinase MAPK family","Tyrosine protein kinase Ack family","Other protein kinase CK2 family","TK
L protein kinase STKR family","CMGC protein kinase CDK family","Tyrosine protein kinase Axl family","CAMK protein kinase PIM family","TKL protein kinase RAF family","CAMK protein kinase MAPKAPK family
","STE protein kinase STE11 family","Other protein kinase PEK family","Other protein kinase NAK family","Other protein kinase PLK family","Other protein kinase NKF4 family","TKL protein kinase MLK fam
ily","AGC protein kinase PKC family","Tyrosine protein kinase Trk family","AGC protein kinase RSK family","Tyrosine protein kinase FGFR family","CAMK protein kinase DAPK family","Tyrosine protein kina
se Ret family","TKL protein kinase LRRK family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase Alk family","Tyrosine protein kinase JakA family","Tyrosine protein kinase DDR family","Tyro
sine protein kinase Tec family","CAMK protein kinase MLCK family","AGC protein kinase AKT family","Atypical protein kinase RIO family","CAMK protein kinase RAD53 family","AGC protein kinase DMPK famil
y","CAMK protein kinase unique family","CAMK protein kinase PHk family","AGC protein kinase PKA family","AGC protein kinase PKG family","Tyrosine protein kinase Csk family","AGC protein kinase GRK fam
ily","AGC protein kinase YANK family","Tyrosine protein kinase Sev family","Other protein kinase TTK family","Tyrosine protein kinase Tie family","Atypical protein kinase ABC1 family","Other protein k
inase CAMKK family","Other protein kinase ULK family","TKL protein kinase LISK family","AGC protein kinase NDR family","CAMK protein kinase DCAMK1 family","CMGC protein kinase Dyrk1 subfamily","Atypic
al protein kinase FRAP subfamily","CAMK protein kinase BRSK subfamily","CK1 protein kinase CK1-a","CAMK protein kinase QIK subfamily","STE protein kinase PAKB subfamily","CMGC protein kinase nmo subfa
mily","STE protein kinase NinaC subfamily","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase CDK8 subfamily","STE protein kinase KHS subfamily","CAMK protein kinase MNK subfamily","TKL p
rotein kinase STKR Type 2 subfamily","STE protein kinase MEKK2","Other protein kinase PKR","CMGC protein kinase HIPK subfamily","TKL protein kinase MLK subfamily","TKL protein kinase TAK1 subfamily","
STE protein kinase MSN subfamily","AGC protein kinase PKC eta subfamily","STE protein kinase SLK subfamily","Other protein kinase PLK2","CAMK protein kinase MARK subfamily","STE protein kinase YSK sub
family","AGC protein kinase RSK subfamily","STE protein kinase TAO subfamily","CMGC protein kinase CDK7 subfamily","Atypical protein kinase RIO2 subfamily","AGC protein kinase GEK subfamily","Tyrosine
 protein kinase SrcA","AGC protein kinase p70 subfamily","AGC protein kinase MSK subfamily","AGC protein kinase GRK subfamily","STE protein kinase PAKA subfamily","CMGC protein kinase Dyrk2 subfamily"
,"TKL protein kinase STKR1","TKL protein kinase HH498 subfamily","STE protein kinase MST subfamily","CK1 protein kinase CK1-g","Atypical protein kinase ABC1-A subfamily","Other protein kinase Meta sub
family","TKL protein kinase TESK subfamily","CAMK protein kinase MELK subfamily","CMGC protein kinase p38 subfamily","CAMK protein kinase NuaK subfamily","CAMK protein kinase PASK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Chromatin modifying enzymes","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid modifying kinases",Atypical,"Receptor kinases","STE
: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kinases","CK1: Casein kinase 1","Enzymatic bromodomain-containing proteins","AGC: Containin
g PKA",PKG,"PKC families","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","1-phosphatidylinositol 4-kinase family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family
","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","TK: Tyrosine kinase","STE7 family","CAMK-like (CAMKL) family","Casein kinase 1 (CK1) family","CAMK1 family","CLK family","TKL: Tyrosi
ne kinase-like","STE20 family","Mitogen-activated protein kinases (MAP kinases)","Bromodomain kinase (BRDK) family","Other protein kinases","Cyclin-dependent kinase (CDK) family","PIM family","MAPK-Ac
tivated Protein Kinase (MAPKAPK) family","STE11 family","Phosphatidylinositol-4-phosphate 3-kinase family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Protein kinase C 
(PKC) family","RSK family","Death-associated kinase (DAPK) family","CAMK2 family","Myosin Light Chain Kinase (MLCK) family","Akt (Protein kinase B","PKB) family","RIO family","DMPK family","CAMK-uniqu
e family","Phosphorylase kinase (PHK) family","Protein kinase A (PKA) family","Protein kinase G (PKG) family","G protein-coupled receptor kinases (GRKs)","YANK family","Type I PIP kinases (1-phosphati
dylinositol-4-phosphate 5-kinase family)","ABC1 family","CASK family","NDR family","DCAMKL family","Dyrk1 subfamily","FRAP subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases
 (RTKs)","BRSK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","Receptor interacting protein kinase (RIPK) family","QIK subfamily","PAKB subfamily","nmo subfamily","NinaC subfamily
","Casein kinase 2 (CK2) family","Receptor serine/threonine kinase (RSTK) family","CDK8 subfamily","KHS subfamily","RAF family","MKN subfamily","PEK family","Numb-associated kinase (NAK) family","HIPK
 subfamily","Polo-like kinase (PLK) family","NKF4 family","Mixed Lineage Kinase (MLK) family","STE20 subfamily","MSN subfamily","Eta subfamily","SLK subfamily","MARK subfamily","YSK subfamily","RSK su
bfamily","Leucine-rich repeat kinase (LRRK) family","NAK family","TAO subfamily","CDK4 subfamily","CDK7 subfamily","RIO2 subfamily","CHK1 subfamily","GEK subfamily","p70 subfamily","MSK subfamily","Op
sin/rhodopsin kinases","PAKA subfamily","Dyrk2 subfamily","MST subfamily","TTK family","Other PIKK family kinases","ABC1-B subfamily","Other-unique family","CAMKK family","Unc-51-like kinase (ULK) fam
ily","LIM domain kinase (LISK) family","MELK subfamily","p38 subfamily","NuaK subfamily","PASK subfamily","Abl family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XIII RTKs: Ep
hrin receptor family","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Ack family","Type I receptor serine
/threonine kinases","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type II receptor serine/threonine kinases","Other PEK family kinases","MLK subfamily","TAK1 subfamily","Type VII RTK
s: Neurotrophin receptor/Trk family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type XIV RTKs: RET","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Janus kinase (
JakA) family","Type XVI RTKs: DDR (collagen receptor) family","Tec family","Csk family","HH498 subfamily","Type XVII RTKs: ROS receptors","Type XII RTKs: TIE family of angiopoietin receptors","Meta su
bfamily","TESK subfamily"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Disease,"Gene expression (Transcription)","Signal Transduction","Developmental Biology","Immune System","Vesicle-mediated transport","Cellular responses to external stimuli","
Programmed Cell Death",Hemostasis,"Neuronal System","Extracellular matrix organization","Metabolism of RNA","Muscle contraction","Cell-Cell communication","Circadian Clock",Mitotic,"Metabolism of lipi
ds","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Infectious disease","Signaling by GPCR","Nervous system development","Innate I
mmune System","Signaling by Receptor Tyrosine Kinases","Signaling by WNT","Intracellular signaling by second messengers","Signaling by TGFB family members","Signaling by NODAL","Cytokine Signaling in 
Immune system","Membrane Trafficking","Cellular responses to stress",Apoptosis,"Cell surface interactions at the vascular wall","Transmission across Chemical Synapses","Signaling by Non-Receptor Tyros
ine Kinases","Non-integrin membrane-ECM interactions","Signaling by Rho GTPases","rRNA processing","Cardiac conduction","Metabolism of carbohydrates","MAPK family signaling cascades","MTOR signalling"
,"Signaling by Hippo","Signaling by Hedgehog","Cell junction organization","Mitotic G1 phase and G1/S transition","Phospholipid metabolism","Signaling by FGFR in disease","Generic Transcription Pathwa
y","Leishmania infection","GPCR downstream signalling","Axon guidance","Toll-like Receptor Cascades","Signaling by VEGF","Signaling by Insulin receptor","Signaling by KIT in disease","Signaling by NTR
Ks","HIV Infection","Beta-catenin independent WNT signaling","SARS-CoV Infections","PIP3 activates AKT signaling","Signaling by BMP","Signaling by NOTCH1 in Cancer","Signaling by FGFR","Regulation of 
signaling by NODAL","Signaling by Interleukins","Influenza Infection","trans-Golgi Network Vesicle Budding","Mitotic G2-G2/M phases","Cellular Senescence","Fcgamma receptor (FCGR) dependent phagocytos
is","Neutrophil degranulation","Regulation of lipid metabolism by PPARalpha","Apoptotic execution phase","Signaling by PDGFR in disease","Neurotransmitter receptors and postsynaptic signal transmissio
n","Caspase activation via extrinsic apoptotic signalling pathway","FLT3 signaling in disease","Signaling by PTK6","Sphingolipid metabolism","Signaling by TGF-beta Receptor Complex in Cancer","M Phase
","Clathrin-mediated endocytosis","RHO GTPase Effectors","rRNA processing in the nucleus and cytosol","Interferon Signaling","Ion homeostasis","Glycogen metabolism","MAPK1/MAPK3 signaling","mTORC1-med
iated signalling","Oncogenic MAPK signaling","Signaling by WNT in cancer","Cytosolic sensors of pathogen-associated DNA","Hedgehog 'on' state","Fc epsilon receptor (FCERI) signaling","Cell-extracellul
ar matrix interactions","G0 and Early G1","PI Metabolism","Signaling by FGFR1 in disease","Transcriptional Regulation by TP53","Parasite infection","G alpha (q) signalling events","EPH-Ephrin signalin
g","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival","VEGF ligand-receptor interactions","Insulin receptor signalling cascade","Toll Like Receptor 2 (TLR2) Cascade","Drug
 resistance of KIT mutants","Signaling by NTRK1 (TRKA)","Host Interactions of HIV factors","Signaling by ROBO receptors","Ca2+ pathway","Potential therapeutics for SARS","Negative regulation of the PI
3K/AKT network","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","VEGFA-VEGFR2 Pathway","Transcriptional regulation by RUNX1","Signaling by FGFR4","Interleukin-1 family signaling","NS1 Mediated 
Effects on Host Pathways","Golgi Associated Vesicle Biogenesis","G2/M Transition","Toll Like Receptor 4 (TLR4) Cascade","Oxidative Stress Induced Senescence","Role of phospholipids in phagocytosis","P
PARA activates gene expression","Apoptotic cleavage of cellular proteins","Drug resistance of PDGFR mutants","Activation of NMDA receptors and postsynaptic events","Signaling by FGFR3 in disease","Cas
pase activation via Dependence Receptors in the absence of ligand","Signaling by FLT3 ITD and TKD mutants","RET signaling","PTK6 promotes HIF1A stabilization","Sphingolipid de novo biosynthesis","PTEN
 Regulation",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Loss of Function of SMAD2/3 in Cancer","Interleukin-2 family signaling","Signaling by FGFR2 in disease","Semaphorin interactions","Mito
tic Metaphase and Anaphase","G1 Phase","HIV Life Cycle","Cargo recognition for clathrin-mediated endocytosis","RHO GTPases activate PAKs","Major pathway of rRNA processing in the nucleolus and cytosol
","Antiviral mechanism by IFN-stimulated genes","Glycogen breakdown (glycogenolysis)","RAF/MAP kinase cascade","L1CAM interactions","G alpha (z) signalling events","Transcriptional Regulation by VENTX
","Signaling by RAS mutants","Signaling by AMER1 mutants","G alpha (i) signalling events","STING mediated induction of host immune responses","Interferon alpha/beta signaling","FCERI mediated Ca+2 mob
ilization","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","Synthesis of PIPs at the Golgi membrane","FGFR1 mutant receptor activation","Synthesis of PIPs at the p
lasma membrane","Regulation of TP53 Activity","Leishmania phagocytosis","Gastrin-CREB signalling pathway via PKC and MAPK","EPHB-mediated forward signaling","MyD88 cascade initiated on plasma membrane
","EPHA-mediated growth cone collapse","Anti-inflammatory response favouring Leishmania parasite infection","VEGF binds to VEGFR leading to receptor dimerization","IRS-mediated signalling","Toll Like 
Receptor TLR6:TLR2 Cascade","Dasatinib-resistant KIT mutants","Signalling to ERKs","Signalling to ERK5","The role of Nef in HIV-1 replication and disease pathogenesis","Activation of RAC1",PI5P,"PP2A 
and IER3 Regulate PI3K/AKT Signaling","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","RUNX1 regulates transcription of genes involved in BCR signaling","Role of ABL in ROBO-SLIT signaling",
"Negative regulation of FGFR4 signaling","Interleukin-1 signaling","Inhibition of PKR","Centrosome maturation","MyD88-independent TLR4 cascade","Activation of TRKA receptors","Imatinib-resistant PDGFR
 mutants","Post NMDA receptor activation events","Signaling by FGFR3 point mutants in cancer","STAT5 activation downstream of FLT3 ITD mutants","Regulation of PTEN stability and activity","Interleukin
 receptor SHC signaling","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Interleukin-15 signaling","FGFR2 mutant receptor activation","Sema4D in semaphorin signaling","Mitotic Anaphase","Cyclin D a
ssociated events in G1","Late Phase of HIV Life Cycle","VEGFR2 mediated cell proliferation","ISG15 antiviral mechanism","Downstream signaling of activated FGFR4","RAS processing","Recycling pathway of
 L1","Signaling downstream of RAS mutants","Truncations of AMER1 destabilize the destruction complex","Visual phototransduction","SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion","IR
F3-mediated induction of type I IFN","Regulation of IFNA signaling","Assembly and cell surface presentation of NMDA receptors","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Express
ion and Degradation","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","MAP kinase activation","FCGR3A-mediated IL10 synthesis","PI3K Cascade","MyD88:MAL(TIRAP) cascade initiated on pla
sma membrane","Prolonged ERK activation events","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Regulation of TP53 Activity through Phosphorylation","
Spry regulation of FGF signaling","Loss of proteins required for interphase microtubule organization from the centrosome","TRIF(TICAM1)-mediated TLR4 signaling","Regulation of TP53 Activity through Ac
etylation","NGF-independant TRKA activation","CD163 mediating an anti-inflammatory response","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","FGFR3 mutant receptor a
ctivation","Nef and signal transduction","Activated point mutants of FGFR2","Sema4D induced cell migration and growth-cone collapse","Separation of Sister Chromatids","Transcription of the HIV genome"
,"FRS-mediated FGFR4 signaling","The phototransduction cascade","Signalling to RAS","Signaling by activated point mutants of FGFR1","Activation of AMPK downstream of NMDARs","Regulation of TP53 Degrad
ation","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Frs2-mediated activation","Nef Mediated CD4 Down-regulation","ARMS-mediated activation","activated TAK1 m
ediates p38 MAPK activation","Loss of Nlp from mitotic centrosomes","TRAF6-mediated induction of TAK1 complex within TLR4 complex","PI5P Regulates TP53 Acetylation","RSK activation","Signaling by acti
vated point mutants of FGFR3","Ras activation upon Ca2+ influx through NMDA receptor","HIV Transcription Elongation","MAPK targets/ Nuclear events mediated by MAP kinases",Inactivation,"recovery and r
egulation of the phototransduction cascade","p38MAPK events","Tat-mediated elongation of the HIV-1 transcript","CREB phosphorylation","Activation of the AP-1 family of transcription factors","Formatio
n of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{MTOR,PASK}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{PP242,1092351-67-1,1092351671,TORKinib,PP-242,"PP 242","Torkinib (PP242)","2-(4-amino-1-isopropyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-1H-indol-5-ol","2(4amino1isopropyl1Hpyrazolo(3,4d)pyrimidin3yl)1Hin
dol5ol",UNII-H5669VNZ7V,UNIIH5669VNZ7V,H5669VNZ7V,CHEBI:90679,2-(4-Amino-1-(Propan-2-Yl)-1h-Pyrazolo(3,2(4Amino1(Propan2Yl)1hPyrazolo(3,4-D)pyrimidin-3-Yl)-1h-Indol-5-O,4D)pyrimidin3Yl)1hIndol5O,T2414
,S2218,Torkinib}

> <pdid>
PD010820

> <targets>
{mTOR,Autophagy,Apoptosis,Mitophagy}

> <classes>
{PI3K/Akt/mTOR,Apoptosis,Autophagy}

> <pubchem_cids>
{135565635}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 C   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8983   -0.7512    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -3.8976    0.7553    0.0000 O   0  0
   -2.5951    3.0039    0.0000 N   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8934    5.2570    0.0000 C   0  0
   -5.1924    6.0070    0.0000 C   0  0
   -6.4915    5.2571    0.0000 C   0  0
   -7.7905    6.0071    0.0000 Cl  0  0
   -6.4915    3.7571    0.0000 C   0  0
   -5.1925    3.0070    0.0000 C   0  0
   -7.7912    3.0067    0.0000 C   0  0
   -9.0915    3.7546    0.0000 C   0  0
  -10.3894    3.0026    0.0000 C   0  0
  -10.3870    1.5026    0.0000 C   0  0
   -9.0868    0.7546    0.0000 C   0  0
   -7.7890    1.5067    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11  5  1  0
  8 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15691

> <plate>
PLATE 005

> <well>
H7

> <supplier_cmpd_name>
Vismodegib

> <ctcr_id>
5334

> <supplier_cmpd_id>
T2590

> <smiles>
C[S](=O)(=O)c1ccc(c(Cl)c1)C(=O)Nc2ccc(Cl)c(c2)c3ccccn3

> <pd_targets>
{ALB,SMO,SHH}

> <pathway_gtopdb>
{"Secreted protein","Membrane receptor","Unclassified protein","Frizzled family G protein-coupled receptor","Smoothened receptor (frizzled family GPCR)"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Class Frizzled GPCRs"}

> <pathway_reactome>
{Metabolism,"Organelle biogenesis and maintenance",Disease,"Metabolism of lipids","Cilium Assembly","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of st
eroids","Cargo trafficking to the periciliary membrane","Hh mutants abrogate ligand secretion","Bile acid and bile salt metabolism","BBSome-mediated cargo-targeting to cilium","HHAT G278V doesn't palm
itoylate Hh-Np","Recycling of bile acids and salts"}

> <broad_targets>
{SMO}

> <broad_moa>
{"hedgehog pathway inhibitor","smoothened receptor antagonist"}

> <synonyms>
{DC044,Vismodegib,879085-55-9,879085559,GDC-0449,GDC0449,Erivedge,2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide,2chloroN(4chloro3(pyridin2yl)phenyl)4(methylsulfonyl)benzamid
e,"Vismodegib (GDC-0449)","Vismodegib (GDC0449)",HhAntag691,"GDC 0449","GDC-0449 (Vismodegib)","GDC0449 (Vismodegib)",UNII-25X868M3DS,UNII25X868M3DS,NSC-747691,NSC747691,2-Chloro-N-(4-chloro-3-(2-p,2C
hloroN(4chloro3(2p,T2590,755986,S1082,"NSC 755986"}

> <pdid>
PD004109

> <targets>
{Hedgehog,P-gp,Hedgehog Signaling Pathway,Autophagy}

> <classes>
{Smoothened Receptor Antagonist,Neuronal Signaling,Autophagy,Stem Cell/Wnt}

> <pubchem_cids>
{24776445}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 O   0  0
    1.2960    5.2539    0.0000 C   0  0
   -0.0056    5.9995    0.0000 C   0  0
   -0.0108    7.4995    0.0000 C   0  0
    1.2856    8.2540    0.0000 C   0  0
    1.5920    9.7216    0.0000 N   0  0
    3.0832    9.8835    0.0000 C   0  0
    3.8287   11.1851    0.0000 C   0  0
    3.6981    8.5153    0.0000 C   0  0
    2.5873    7.5085    0.0000 C   0  0
    2.5924    6.0085    0.0000 C   0  0
    3.8941    5.2631    0.0000 F   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.8244   -8.3594    0.0000 C   0  0
   -3.3609   -9.7860    0.0000 C   0  0
   -1.8609   -9.7860    0.0000 C   0  0
   -1.3973   -8.3594    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
 17  8  1  0
 17 18  1  0
  6 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  5  1  0
 22 23  1  0
 23 24  2  0
 24  3  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 29  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15692

> <plate>
PLATE 005

> <well>
H8

> <supplier_cmpd_name>
Cediranib

> <ctcr_id>
625

> <supplier_cmpd_id>
T2500

> <smiles>
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN5CCCC5

> <pd_targets>
{KDR,BTK,MET,EGFR,GAK,SRC,PRKD2,STK26,DDR1,HCK,MAP4K1,MERTK,MAP4K3,ERBB2,ERN1,CSNK1E,ABL1,PDGFRB,MAP3K19,MAP4K4,DDR2,EPHA3,YES1,PTK6,PLK4,TYRO3,FGFR1,RIPK2,MAP4K2,KIT,FER,PDGFRA,SLK,BLK,ERBB4,AURKB,CS
F1R,EPHA1,LCK,TIE1,SIK2,MAPK14,LTK,TAOK3,FRK,RET,MAP2K2,MAP2K5,FGFR2,STK35,ACVR1B,AXL,EIF2AK1,FLT1,LYN,FYN,FGR,TGFBR1,FGFR3,FLT3,FLT4,MAP4K5,EPHA6,ACVR1,CHEK2,MINK1,MST1R,ABL2,EPHA8,TEK,CAMK2B,ALK,EPH
B4,EPHB6,AURKC,TNIK,TAOK2,EPHA7,STK33,FGFR4,STK3,STK4,ERBB3,SYK,STK10,TAOK1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,Transferase,"Protein Kinase","TK protein kinase group","Other protein kinase group","CAMK protein kinase group","STE protein kinase group","CK1 protein kinase gro
up","TKL protein kinase group","CMGC protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Met family","Tyrosine protein kinase EGF
R family","Other protein kinase NAK family","Tyrosine protein kinase Src family","CAMK protein kinase PKD family","STE protein kinase STE20 family","Tyrosine protein kinase DDR family","Tyrosine prote
in kinase Axl family","CK1 protein kinase CK1 family","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR family","STE protein kinase STE11 family","Tyrosine protein kinase Eph family"
,"Other protein kinase PLK family","Tyrosine protein kinase FGFR family","TKL protein kinase RIPK family","Tyrosine protein kinase Fer family","Other protein kinase AUR family","Tyrosine protein kinas
e Tie family","CAMK protein kinase CAMK1 family","CMGC protein kinase MAPK family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Ret family","STE protein kinase STE7 family","Other pro
tein kinase NKF4 family","TKL protein kinase STKR family","Other protein kinase PEK family","CAMK protein kinase RAD53 family","CAMK protein kinase CAMK2 family","CAMK protein kinase unique family","T
yrosine protein kinase Syk family","STE protein kinase YSK subfamily","STE protein kinase KHS subfamily","STE protein kinase MSN subfamily","STE protein kinase SLK subfamily","CAMK protein kinase QIK 
subfamily","CMGC protein kinase p38 subfamily","STE protein kinase TAO subfamily","TKL protein kinase STKR Type 1 subfamily","Other protein kinase HRI","Tyrosine protein kinase SrcA","TKL protein kina
se STKR1","STE protein kinase MST subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kina
ses","CK1: Casein kinase 1","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TK: Tyrosine kinase","Other protein kinases","Protein kinase D (PKD) family","STE20 family","Casein kinase 1 (CK1) family",
"TKL: Tyrosine kinase-like","CAMK-like (CAMKL) family","Mitogen-activated protein kinases (MAP kinases)","STE7 family","CAMK2 family","CAMK-unique family","Receptor tyrosine kinases (RTKs)","Non-recep
tor tyrosine kinases (nRTKs)","Numb-associated kinase (NAK) family","YSK subfamily","KHS subfamily","IRE family","STE20 subfamily","MSN subfamily","Polo-like kinase (PLK) family","Receptor interacting
 protein kinase (RIPK) family","SLK subfamily","Aurora kinase (Aur) family","QIK subfamily","p38 subfamily","TAO subfamily","NKF4 family","Receptor serine/threonine kinase (RSTK) family","PEK family",
"CHK1 subfamily","MST subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Tec family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type I RTKs: ErbB
 (epidermal growth factor) receptor family","Src family","Type XVI RTKs: DDR (collagen receptor) family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Abl family","Type III RTKs: PDG
FR",CSFR,Kit,"FLT3 receptor family","Type XIII RTKs: Ephrin receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Fer family","Type XII RTKs: TIE family of angiopoietin recep
tors","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XIV RTKs: RET","Type I receptor serine/threonine kinases","Other PEK family kinases","Syk family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Developmental Biology","Vesicle-mediated transport",Metabolism,"Programmed Cell Death","Extracellular matrix organization",Hemostasis,"Metabolism of proteins","Cell Cyc
le","Cellular responses to external stimuli","Immune System","Gene expression (Transcription)","Neuronal System","Signaling by Receptor Tyrosine Kinases","Infectious disease","Nervous system developme
nt","Signaling by GPCR","Membrane Trafficking","Metabolism of lipids",Apoptosis,"Non-integrin membrane-ECM interactions","Cell surface interactions at the vascular wall","Unfolded Protein Response (UP
R)",Mitotic,"Intracellular signaling by second messengers","Cellular responses to stress","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","RNA
 Polymerase II Transcription","Transmission across Chemical Synapses","Signaling by NODAL","MAPK family signaling cascades","Signaling by Hippo","Signaling by VEGF","Leishmania infection","Axon guidan
ce","GPCR downstream signalling","trans-Golgi Network Vesicle Budding","Signaling by NTRKs","Sphingolipid metabolism","Apoptotic execution phase","HIV Infection","IRE1alpha activates chaperones","Mito
tic G2-G2/M phases","PIP3 activates AKT signaling","Cellular Senescence","Mitotic G1 phase and G1/S transition","Signaling by FGFR in disease","Toll-like Receptor Cascades","Signaling by KIT in diseas
e","Signaling by SCF-KIT","Signaling by PDGFR in disease","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","Regulation of signaling by NODAL"
,"Response of EIF2AK1 (HRI) to heme deficiency","Signaling by TGF-beta Receptor Complex in Cancer","Signaling by Insulin receptor","Signaling by MST1","MAPK1/MAPK3 signaling","Signaling by FGFR","Neut
rophil degranulation","VEGFA-VEGFR2 Pathway","Parasite infection","Semaphorin interactions","G alpha (q) signalling events","Golgi Associated Vesicle Biogenesis","Signaling by NTRK1 (TRKA)","Sphingoli
pid de novo biosynthesis","Apoptotic cleavage of cellular proteins","Host Interactions of HIV factors","G2/M Transition","Negative regulation of the PI3K/AKT network","Oxidative Stress Induced Senesce
nce","EPH-Ephrin signaling","Leishmania parasite growth and survival","G1 Phase","Signaling by FGFR1 in disease","Toll Like Receptor 5 (TLR5) Cascade","Drug resistance of KIT mutants","Drug resistance
 of PDGFR mutants","Transcriptional regulation by RUNX1","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Transcriptional Regulation by VENTX","PTEN Regulation"
,"RET signaling","Signaling by FGFR2 in disease","VEGF ligand-receptor interactions","Loss of Function of SMAD2/3 in Cancer","Signaling by FGFR3 in disease","Insulin receptor signalling cascade","Tran
scriptional Regulation by TP53","Signaling by ROBO receptors","RAF/MAP kinase cascade","Signaling by FGFR4","VEGFR2 mediated cell proliferation","Leishmania phagocytosis","Sema4D in semaphorin signali
ng","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","The role of Nef in HIV-1 replication and disease pathogenesis","Centrosome maturation",PI5P,"PP2A and IER3 Regulate PI3K/AK
T Signaling","EPHA-mediated growth cone collapse","Anti-inflammatory response favouring Leishmania parasite infection","Cyclin D associated events in G1","FGFR1 mutant receptor activation","MyD88 casc
ade initiated on plasma membrane","Dasatinib-resistant KIT mutants","Imatinib-resistant PDGFR mutants","RUNX1 regulates transcription of genes involved in BCR signaling","Post NMDA receptor activation
 events","Mitotic Anaphase","Regulation of PTEN stability and activity","Signalling to ERK5","FGFR2 mutant receptor activation","VEGF binds to VEGFR leading to receptor dimerization","SMAD2/3 Phosphor
ylation Motif Mutants in Cancer","Signaling by FGFR3 point mutants in cancer","IRS-mediated signalling","Regulation of TP53 Activity","Role of ABL in ROBO-SLIT signaling","EPHB-mediated forward signal
ing","Downstream signaling of activated FGFR4","FCGR3A-mediated phagocytosis","Sema4D mediated inhibition of cell attachment and migration","EGFR Transactivation by Gastrin","Signalling to RAS","Nef a
nd signal transduction","Sema4D induced cell migration and growth-cone collapse","Loss of proteins required for interphase microtubule organization from the centrosome","FCGR3A-mediated IL10 synthesis
","Signaling by activated point mutants of FGFR1","MAP kinase activation","Long-term potentiation","Separation of Sister Chromatids","Nef-mediates down modulation of cell surface receptors by recruiti
ng them to clathrin adapters","Prolonged ERK activation events","Activated point mutants of FGFR2","FGFR3 mutant receptor activation","PI3K Cascade","Regulation of TP53 Expression and Degradation","CR
EB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","FRS-mediated FGFR4 signaling","p38MAPK events","Loss of Nlp from mitotic centrosomes","activated TAK1 mediates p38 MAPK
 activation","Nef Mediated CD4 Down-regulation","MAPK targets/ Nuclear events mediated by MAP kinases","Frs2-mediated activation","Signaling by activated point mutants of FGFR3","Regulation of TP53 De
gradation","Ras activation upon Ca2+ influx through NMDA receptor","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{CSF1R,FLT1,FLT3,FLT4,KDR,KIT,PDGFRA,PDGFRB}

> <broad_moa>
{"KIT inhibitor","VEGFR inhibitor"}

> <synonyms>
{Cediranib,288383-20-0,288383200,"288383 20 0",Recentin,AZD2171,Cedirannib,"Cediranib (AZD2171)","AZD 2171",AZD-2171,"Cediranib (AZD217)",UNII-NQU9IPY4K9,UNIINQU9IPY4K9,"UNII NQU9IPY4K9","Cediranib fr
ee base",NQU9IPY4K9,ZD-2171,ZD2171,"ZD 2171","AZD-2171 maleate","AZD2171 maleate","AZD 2171 maleate",CHEMBL491473,"288383-20-0 (free base)","288383200 (free base)","288383 20 0 (free base)",NSC-732208
,NSC732208,"NSC 732208",C25H27,T2500,S1017,cediranib,Cediranib(AZD2171),CEDIRANIB}

> <pdid>
PD003639

> <targets>
{VEGFR-PDGFR,"VEGFR Inhibitors"}

> <classes>
{}

> <pubchem_cids>
{9933475}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 F   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
    1.2946    3.7547    0.0000 C   0  0
    2.5943    3.0056    0.0000 C   0  0
    3.8928    3.7565    0.0000 C   0  0
    3.8918    5.2565    0.0000 C   0  0
    5.1903    6.0074    0.0000 Br  0  0
    2.5923    6.0056    0.0000 C   0  0
    1.2937    5.2548    0.0000 C   0  0
   -0.0058    6.0039    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0983    0.7368    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
  8 18  2  0
 18 19  1  0
 19 20  2  0
 20  2  1  0
 20  5  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15693

> <plate>
PLATE 005

> <well>
H9

> <supplier_cmpd_name>
Binimetinib

> <ctcr_id>
2560

> <supplier_cmpd_id>
T2508

> <smiles>
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO

> <pd_targets>
{EGFR,MAP2K1,MAP2K2,MAP3K1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","STE protein kinase group","Tyrosine protein kinase EGFR family","STE protein kinase STE7 family","STE protein kinase STE11 family"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","TK: Tyrosine kinase","STE7 family","Receptor ty
rosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","STE11 family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","GPCR downstream signalling","Signaling by NTRKs","G alpha (q) signalling events","Signaling by NTRK1 (TRKA)","Gastr
in-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","EGFR Transactivation by Gastrin","Prolonged ERK activation events","Frs2-mediated activation","Immune System","Innate Immune System",
"Toll-like Receptor Cascades","Toll Like Receptor 2 (TLR2) Cascade","Toll Like Receptor TLR6:TLR2 Cascade","MyD88:MAL(TIRAP) cascade initiated on plasma membrane"}

> <broad_targets>
{MAP2K1}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{Selumetinib,606143-52-6,606143526,AZD6244,"AZD 6244",ARRY-142886,ARRY142886,AZD-6244,"Selumetinib (AZD6244)","ARRY 142886","AZD6244 (Selumetinib)",ARRY-886,ARRY886,UNII-6UH91I579U,UNII6UH91I579U,CHEM
BL1614701,CHEBI:90227,6UH91I579U,NCGC00189073-01,NCGC0018907301,NCGC00189073-02,NCGC0018907302,C17H15BrClFN4O,T2508,T6218,S1008,Binimetinib,AZD6244(Selumetinib)}

> <pdid>
PD003249

> <targets>
{MEK}

> <classes>
{}

> <pubchem_cids>
{10127622}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 21 24  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  6  1  0
 15 10  1  0
  4 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15694

> <plate>
PLATE 005

> <well>
H10

> <supplier_cmpd_name>
NU7026

> <ctcr_id>
1942

> <supplier_cmpd_id>
T2433

> <smiles>
O=C1C=C(Oc2c1ccc3ccccc23)N4CCOCC4

> <pd_targets>
{RORC,PRKDC,MTOR,PIK3R1,PIK3CA}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Nuclear receptor",Kinase,Transferase,"Nuclear hormone receptor subfamily 1","Protein Kinase","Nuclear hormone receptor subfamily 1 group F","Atypical protein kinase gro
up","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Glycerophospholipid turnover","1F. Retinoic acid-related orphans",Atypical,"Phosphatidylinositol kinases","Lipid modifying kinase
s","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Other PIKK family kinases","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System",Disease,"RNA Polymerase II Transcription","Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","
Generic Transcription Pathway","Cytosolic sensors of pathogen-associated DNA","Signaling by FGFR in disease","Transcriptional regulation by RUNX3","STING mediated induction of host immune responses","
Transcriptional Regulation by TP53","Signaling by FGFR1 in disease","RUNX3 Regulates Immune Response and Cell Migration","IRF3-mediated induction of type I IFN","Regulation of TP53 Activity","FGFR1 mu
tant receptor activation","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Degradation"}

> <broad_targets>
{PRKDC}

> <broad_moa>
{"DNA dependent protein kinase inhibitor","mTOR inhibitor","PI3K inhibitor"}

> <synonyms>
{DJ7RQT66H6,cc-674,cc674,154447-35-5,154447355,NU7026,"NU 7026",NU-7026,"DNA-PK Inhibitor II","DNAPK Inhibitor II",2-(Morpholin-4-yl)-benzo(h)chromen-4-one,2(Morpholin4yl)benzo(h)chromen4one,2-morphol
ino-4H-benzo(h)chromen-4-one,2morpholino4Hbenzo(h)chromen4one,2-morpholin-4-ylbenzo(h)chromen-4-one,2morpholin4ylbenzo(h)chromen4one,LY293646,2-(4-morpholinyl)-4H-naphtho(1,2(4morpholinyl)4Hnaphtho(1,
2-b)pyran-,2b)pyran,T2433,"EMD 260961",2828,260961}

> <pdid>
PD012539

> <targets>
{DNA-PK}

> <classes>
{}

> <pubchem_cids>
{9860529}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 34  0  0  0  0            999 V2000
    7.7858   -9.1806    0.0000 N   0  0
    6.3110   -8.9071    0.0000 C   0  0
    5.3370  -10.0479    0.0000 O   0  0
    5.8106   -7.4921    0.0000 C   0  0
    6.7829   -6.3499    0.0000 C   0  0
    6.2798   -4.9368    0.0000 C   0  0
    4.8092   -4.6676    0.0000 C   0  0
    3.8322   -5.8080    0.0000 C   0  0
    4.3352   -7.2212    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.7171    0.9385    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 12 19  2  0
 19 20  1  0
 20 10  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 29 30  2  0
 30 21  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15695

> <plate>
PLATE 005

> <well>
H11

> <supplier_cmpd_name>
D 4476

> <ctcr_id>
2337

> <supplier_cmpd_id>
T2449

> <smiles>
NC(=O)c1ccc(cc1)c2[nH]c(c3ccccn3)c(n2)c4ccc5OCCOc5c4

> <pd_targets>
{CSNK1A1,CSNK1D,MAPK14,CKA1,CSNK1E,PRKD1,CSNK1G1,CSNK1G2,TGFBR1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CK1 protein kinase group","CMGC protein kinase group","CAMK protein kinase group","TKL protein kinase group","CK1 protein kinase CK1 family","CMGC protein kinase MAPK 
family","CMGC protein kinase CK subfamily","CAMK protein kinase PKD family","TKL protein kinase STKR family","CMGC protein kinase p38 subfamily","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CK1: Casein kinase 1","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor ki
nases","Casein kinase 1 (CK1) family","Mitogen-activated protein kinases (MAP kinases)","Protein kinase D (PKD) family","TKL: Tyrosine kinase-like","p38 subfamily","Receptor serine/threonine kinase (R
STK) family","Type I receptor serine/threonine kinases"}

> <pathway_reactome>
{Disease,"Cell Cycle","Immune System",Metabolism,"Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"Innate Immune System","Metabolism of lipids","Signaling by 
WNT in cancer","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","Sphingolipid metabolism","Signaling by TGF-beta Receptor Complex in Cancer","Signaling by AMER1 mutants","G2/M Transition","Toll 
Like Receptor 5 (TLR5) Cascade","Sphingolipid de novo biosynthesis","Loss of Function of SMAD2/3 in Cancer","Truncations of AMER1 destabilize the destruction complex","Centrosome maturation","MyD88 ca
scade initiated on plasma membrane","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Loss of proteins required for interphase microtubule organization from the centrosome","MAP kinase activation","L
oss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{301836-43-1,301836431,D4476,"CK1 Inhibitor","casein kinase I inhibitor","D 4476",D-4476,"Casein Kinase I Inhibitor, D4476",CHEMBL410456,C23H18N4O3,K00227,MLS006010815,SCHEMBL373737,"InSolution&trade;
 Casein Kinase I Inhibitor, D4476",GTPL5940,SCHEMBL22857113,T2449,"EMD 218696",SY-D4476,2902,218696}

> <pdid>
PD012959

> <targets>
{"Casein Kinase 1",CK1}

> <classes>
{}

> <pubchem_cids>
{6419753}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1953   -1.5031    0.0000 N   0  0
   -5.1932   -3.0039    0.0000 C   0  0
   -6.4907   -3.7566    0.0000 O   0  0
   -3.8928   -3.7517    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 15 20  2  0
 20 21  1  0
 21 22  1  0
 22  6  1  0
 22 23  2  0
 21 24  2  0
 24  9  1  0
 24 13  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15696

> <plate>
PLATE 006

> <well>
A2

> <supplier_cmpd_name>
UNBS-5162

> <ctcr_id>
11437

> <supplier_cmpd_id>
T2477

> <smiles>
CN(C)CCn1c(=O)c2cccc3cc(NC(=O)N)cc(c1=O)c23

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"CC chemokine receptor antagonist"}

> <synonyms>
{NBS516,UNBS-5162,UNBS5162,956590-23-1,956590231,"UNBS 5162",UNII-JY9JF7D78N,UNIIJY9JF7D78N,JY9JF7D78N,"(2-(2-(dimethylamino)ethyl)-1,3-dioxobenzo(de)isoquinolin-5-yl)urea","(2(2(dimethylamino)ethyl)1
,3dioxobenzo(de)isoquinolin5yl)urea",SCHEMBL4188839,SCHEMBL4188846,CHEMBL4303530,AOB6480,EX-A460,EXA460,BCP23948,"UNBS5162;UNBS 5162",MFCD22380608,s8,T2477}

> <pdid>
PD012457

> <targets>
{CXCL,Autophagy,CXCR}

> <classes>
{Autophagy,GPCR/G Protein,Immunology/Inflammation}

> <pubchem_cids>
{16048966}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 S   0  0
    5.1894   -6.0109    0.0000 N   0  0
    5.5329   -7.4339    0.0000 C   0  0
    6.9818   -7.0457    0.0000 C   0  0
    6.5935   -5.5968    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  7  1  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15697

> <plate>
PLATE 006

> <well>
A3

> <supplier_cmpd_name>
NSC319726

> <ctcr_id>
6891

> <supplier_cmpd_id>
T2464

> <smiles>
C\C(=N/NC(=S)N1CCC1)c2ccccn2

> <pd_targets>
{HSP90AA1}

> <pathway_gtopdb>
{"Unclassified protein","Other cytosolic protein"}

> <pathway_chembl>
{"Other protein targets","Heat shock proteins"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Mitotic G2-G2/M phases","G2/M Transition","Centrosome maturation","Loss of proteins required for interphase microtubule organization from the centrosome","Loss of Nlp from mitot
ic centrosomes"}

> <broad_targets>
{}

> <broad_moa>
{"p53 activator"}

> <synonyms>
{71555-25-4,71555254,71555_25_4,"71555 25 4","NSC 319726",NSC-319726,NSC_319726,"CID 5351307",(E)-N'-(1-(pyridin-2-yl)ethylidene)azetidine-1-carbothiohydrazide,(E)N'(1(pyridin2yl)ethylidene)azetidine1
carbothiohydrazide,(E)_N'_(1_(pyridin_2_yl)ethylidene)azetidine_1_carbothiohydrazide,"(E) N' (1 (pyridin 2 yl)ethylidene)azetidine 1 carbothiohydrazide",N'-(1-(Pyridin-2-yl)ethylidene)azetidine-1-carb
othiohydrazide,N'(1(Pyridin2yl)ethylidene)azetidine1carbothiohydrazide,N'_(1_(Pyridin_2_yl)ethylidene)azetidine_1_carbothiohydrazide,"N' (1 (Pyridin 2 yl)ethylidene)azetidine 1 carbothiohydrazide",N-(
(E)-1-pyridin-2-ylethylideneamino)azetidine-1-carbothio,N((E)1pyridin2ylethylideneamino)azetidine1carbothio,N_((E)_1_pyridin_2_ylethylideneamino)azetidine_1_carbothio,"N ((E) 1 pyridin 2 ylethylidenea
mino)azetidine 1 carbothio",T2464,"AZETIDINE CARBOTHIOIC ACID, (1-(2-PYRIDINYL)ETHYLIDENE)HYDRAZIDE",NSC319726}

> <pdid>
PD010594

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5351307}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 N   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -5.2111   -5.9837    0.0000 C   0  0
   -6.5072   -5.2269    0.0000 C   0  0
   -7.8115   -5.9679    0.0000 C   0  0
   -9.1053   -5.2089    0.0000 C   0  0
   -9.0949   -3.7089    0.0000 C   0  0
   -7.7907   -2.9679    0.0000 C   0  0
   -7.7772   -1.4672    0.0000 N   0  0
   -6.4713   -0.7276    0.0000 C   0  0
   -6.3180    0.7517    0.0000 S   0  0
   -4.8476    1.0483    0.0000 C   0  0
   -4.1112   -0.2584    0.0000 C   0  0
   -5.1264   -1.3627    0.0000 N   0  0
   -6.4969   -3.7269    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  1  0
 14 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 24  2  0
 22 29  2  0
 29 18  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15698

> <plate>
PLATE 006

> <well>
A4

> <supplier_cmpd_name>
MK8745

> <ctcr_id>
5130

> <supplier_cmpd_id>
T2471

> <smiles>
Fc1c(Cl)cccc1C(=O)N2CCN(CC2)Cc3cccc(Nc4sccn4)n3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{AURKA}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{K874,MK-8745,MK8745,885325-71-3,885325713,C20H19ClFN5OS,SCHEMBL1704218,CHEMBL4303177,HMS3652J20,AOB87140,EX-A1113,EXA1113,2550AH,MFCD28009367,s7065,ZINC38226036,AKOS026750501,CCG-269026,CCG269026,CS-
5664,CS5664,NCGC00386315-02,NCGC0038631502,DA-40867,DA40867,HY-13819,HY13819,A8807,FT-0700500,FT0700500,SW219458-1,SW2194581,T2471,S7065}

> <pdid>
PD010636

> <targets>
{Apoptosis,Aurora Kinase}

> <classes>
{Apoptosis,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{11676373}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.6929   -4.0817    0.0000 C   0  0
    0.3385   -5.5341    0.0000 C   0  0
    1.4233   -6.5700    0.0000 N   0  0
    2.8629   -6.1484    0.0000 C   0  0
    4.1386   -6.9360    0.0000 N   0  0
    5.2822   -5.9653    0.0000 C   0  0
    4.7125   -4.5777    0.0000 C   0  0
    3.2176   -4.6910    0.0000 C   0  0
    2.1327   -3.6551    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0
   -4.5721   -0.1292    0.0000 C   0  0
   -6.0471   -0.4022    0.0000 C   0  0
   -6.2433   -1.8893    0.0000 C   0  0
   -4.8896   -2.5354    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 13  1  0
 17 18  2  0
 18 10  1  0
  9 19  1  0
 19  2  1  0
 19  6  2  0
  7 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15699

> <plate>
PLATE 006

> <well>
A5

> <supplier_cmpd_name>
PP121

> <ctcr_id>
6342

> <supplier_cmpd_id>
T2415

> <smiles>
Nc1ncnc2n(nc(c3cnc4[nH]ccc4c3)c12)C5CCCC5

> <pd_targets>
{CSF1R,PIK3CD,PDGFRA,PIK3CB,ABL1,EPHB4,MARK3,JAK2,PAK4,PRKACA,PRKD3,BCR,DAPK3,MTOR,HCK,KDR,LTK,MAP2K2,MAPK14,ROCK2,FYN,LCK,MAP4K2,MST1R,PI4KB,PIK3CG,MAPK8,PIK3CA,EGFR,LIMK1,CDK5,ACVR1,CLK4,ATR,PDGFRB,
PRKDC,SRC,FLT1,GSK3A,MAP4K4,MAP4K5,ROCK1,IKBKE,ALK,IGF1R,MAP2K1,TYRO3,LRRK2,RET,BTK,TNK2,PTK2,PRKCQ,PRKAA1,FGFR1,CLK2,CSNK1A1,TAOK1,MAPK9,CDK8}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","TK protein kinase group","CAMK protein kinase group","STE protein kinase group","AGC protein kinase group","Atypical protein kinase group","CMGC protein ki
nase group","TKL protein kinase group","Other protein kinase group","CK1 protein kinase group","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Eph 
family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase JakA family","STE protein kinase STE20 family","AGC protein kinase PKA family","CAMK protein kinase PKD family","Atypical protein ki
nase BCR family","CAMK protein kinase DAPK family","Atypical protein kinase PIKK family","Tyrosine protein kinase Src family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Alk family
","STE protein kinase STE7 family","CMGC protein kinase MAPK family","AGC protein kinase DMPK family","Tyrosine protein kinase Met family","Tyrosine protein kinase EGFR family","TKL protein kinase LIS
K family","CMGC protein kinase CDK family","TKL protein kinase STKR family","CMGC protein kinase CLK family","CMGC protein kinase GSK family","Tyrosine protein kinase InsR family","Tyrosine protein ki
nase Axl family","TKL protein kinase LRRK family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Fak family","A
GC protein kinase PKC family","Tyrosine protein kinase FGFR family","CK1 protein kinase CK1 family","CAMK protein kinase MARK subfamily","STE protein kinase PAKB subfamily","Atypical protein kinase FR
AP subfamily","CMGC protein kinase p38 subfamily","AGC protein kinase ROCK subfamily","Tyrosine protein kinase SrcA","STE protein kinase KHS subfamily","CMGC protein kinase JNK subfamily","TKL protein
 kinase LIMK subfamily","CMGC protein kinase CDK5 subfamily","TKL protein kinase STKR1","STE protein kinase MSN subfamily","TKL protein kinase STKR Type 1 subfamily","AGC protein kinase PKC delta subf
amily","CAMK protein kinase AMPK subfamily","STE protein kinase TAO subfamily","CMGC protein kinase CDK8 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","Lipid modifying kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","St
erile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","TK: Tyrosine kinase",Phosphatidylinositol-4,"5-
bisphosphate 3-kinase family","CAMK-like (CAMKL) family","STE20 family","Protein kinase A (PKA) family","Protein kinase D (PKD) family","Death-associated kinase (DAPK) family","Phosphatidyl inositol 3
' kinase-related kinases (PIKK) family","STE7 family","Mitogen-activated protein kinases (MAP kinases)","DMPK family","1-phosphatidylinositol 4-kinase family","TKL: Tyrosine kinase-like","Cyclin-depen
dent kinase (CDK) family","CLK family","Glycogen synthase kinase (GSK) family","Other protein kinases","Protein kinase C (PKC) family","Casein kinase 1 (CK1) family","Receptor tyrosine kinases (RTKs)"
,"Non-receptor tyrosine kinases (nRTKs)","MARK subfamily","PAKB subfamily","FRAP subfamily","p38 subfamily","Rho kinase","KHS subfamily","JNK subfamily","LIM domain kinase (LISK) family","CDK5 subfami
ly","Receptor serine/threonine kinase (RSTK) family","ATR subfamily","Other PIKK family kinases","GSK subfamily","MSN subfamily","IKK family","Leucine-rich repeat kinase (LRRK) family","Delta subfamil
y","AMPK subfamily","TAO subfamily","CDK8 subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Abl family","Type XIII RTKs: Ephrin receptor family","Janus kinase (JakA) family","Src fami
ly","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor fam
ily","Type I RTKs: ErbB (epidermal growth factor) receptor family","LIMK subfamily","Type I receptor serine/threonine kinases","Type II RTKs: Insulin receptor family","Type XI RTKs: TAM (TYRO3-","AXL-
 and MER-TK) receptor family","Type XIV RTKs: RET","Tec family","Ack family","Fak family","Type V RTKs: FGF (fibroblast growth factor) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System",Disease,"Signal Transduction","Developmental Biology","Cell Cycle",Metabolism,"Programmed Cell Death","DNA Repair","Cellular responses to external st
imuli","RNA Polymerase II Transcription","Cytokine Signaling in Immune system","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinase
s","Infectious disease","Nervous system development",Mitotic,"Metabolism of lipids",Apoptosis,"Innate Immune System","Signaling by GPCR","DNA Double-Strand Break Repair","Intracellular signaling by se
cond messengers","Cellular responses to stress","Signaling by Non-Receptor Tyrosine Kinases","Generic Transcription Pathway","Signaling by Interleukins","Signaling by PDGFR in disease","Signaling by I
nsulin receptor","Leishmania infection","Axon guidance","Oncogenic MAPK signaling","Mitotic G1 phase and G1/S transition","Mitotic G2-G2/M phases","Sphingolipid metabolism","Caspase activation via ext
rinsic apoptotic signalling pathway","HIV Infection","Signaling by VEGF","Signaling by NTRKs","Toll-like Receptor Cascades","Signaling by MST1","Phospholipid metabolism","Signaling by FGFR in disease"
,"GPCR downstream signalling","Homology Directed Repair","PIP3 activates AKT signaling","Cytosolic sensors of pathogen-associated DNA","SARS-CoV Infections","Cellular Senescence","Signaling by Type 1 
Insulin-like Growth Factor 1 Receptor (IGF1R)","Signaling by PTK6","Signaling by WNT in cancer","M Phase","Signaling by NOTCH1 in Cancer","Transcriptional Regulation by VENTX",Interleukin-3,"Interleuk
in-5 and GM-CSF signaling","Drug resistance of PDGFR mutants","Insulin receptor signalling cascade","Parasite infection","EPH-Ephrin signaling","Signaling by RAS mutants","G1 Phase","Signaling by ROBO
 receptors","G2/M Transition","Sphingolipid de novo biosynthesis","Caspase activation via Dependence Receptors in the absence of ligand","Transcriptional Regulation by TP53","Host Interactions of HIV 
factors","VEGFA-VEGFR2 Pathway","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","Semaphorin interactions","PI Metabolism","Signaling by FGFR1 in disease","G alpha (q) signalling even
ts","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Negative regulation of the PI3K/AKT network","STING mediated induction of host immune responses","VEGF ligand-recepto
r interactions","SARS-CoV-1 Infection","Oxidative Stress Induced Senescence","Toll Like Receptor 4 (TLR4) Cascade","IGF1R signaling cascade","PTK6 promotes HIF1A stabilization","RET signaling","G alph
a (i) signalling events","Signaling by AMER1 mutants","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Interleukin receptor SHC signaling","Imatinib-resistant P
DGFR mutants","IRS-mediated signalling","Leishmania phagocytosis","EPHB-mediated forward signaling","Signaling downstream of RAS mutants","Cyclin D associated events in G1","Activation of RAC1","Centr
osome maturation","Regulation of TP53 Activity","The role of Nef in HIV-1 replication and disease pathogenesis","VEGFR2 mediated cell proliferation","Signalling to ERKs","MyD88 cascade initiated on pl
asma membrane","Sema4D in semaphorin signaling","Synthesis of PIPs at the Golgi membrane","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor activation","Gastrin-CREB signalling pathway
 via PKC and MAPK","HDR through Homologous Recombination (HRR)",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","IRF3-mediated induction of type I IFN","VEGF binds to VEGFR leading to receptor dimeri
zation","SARS-CoV-1 Genome Replication and Transcription","MyD88-independent TLR4 cascade","IRS-related events triggered by IGF1R","Visual phototransduction","Truncations of AMER1 destabilize the dest
ruction complex","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","PI3K Cascade","FCGR3A-mediated phagocytosis","Loss of proteins required for interphase microtubule organi
zation from the centrosome","Regulation of TP53 Expression and Degradation","Nef and signal transduction","Prolonged ERK activation events","MAP kinase activation","Sema4D induced cell migration and g
rowth-cone collapse","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Signaling by cytosolic FGFR1 fusion mutants","EGFR Transactivation by Gastrin","R
egulation of TP53 Activity through Phosphorylation","Homologous DNA Pairing and Strand Exchange","Signalling to RAS","Replication of the SARS-CoV-1 genome","TRIF(TICAM1)-mediated TLR4 signaling","The 
phototransduction cascade","Signaling by activated point mutants of FGFR1","Separation of Sister Chromatids","Loss of Nlp from mitotic centrosomes","Regulation of TP53 Degradation","Frs2-mediated acti
vation","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","Presynaptic phase of homologous DNA pairing and strand exchange","p38MAPK events","Activation of IRF3
/IRF7 mediated by TBK1/IKK epsilon",Inactivation,"recovery and regulation of the phototransduction cascade","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{ABL1,EGFR,HCK,KDR,MTOR,PDGFRA,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PRKDC,SRC}

> <broad_moa>
{"protein tyrosine kinase inhibitor"}

> <synonyms>
{PP121,1092788-83-4,1092788834,PP-121,"PP 121",CHEMBL1081312,UNII-5B9VB06146,UNII5B9VB06146,CHEBI:50915,5B9VB06146,KS1,Kinome_2001,Kinome2001,Kinome-2001,"Kinome 2001",B2172,cc-496,cc496,MLS006010957,
pp121/pp-121,pp121/pp121,GTPL8013,SCHEMBL12265009,AOB4424,DTXSID00648002,HMS3656D05,BCP02256,C17H17N7,EX-A2139,EXA2139,ABP000938,BDBM503136,T2415,S2622,Pp121}

> <pdid>
PD005215

> <targets>
{DNA-PK,mTOR,PDGF,"PI3K AND TKI",Apoptosis,PDGFR,Src,VEGFR}

> <classes>
{Apoptosis,PI3K/Akt/mTOR,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{24905142}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 35 39  0  0  0  0            999 V2000
    8.9915   -3.7089    0.0000 Cl  0  0
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    2.5937   -6.0074    0.0000 C   0  0
    1.2413   -5.3885    0.0000 C   0  0
    0.2394   -6.5048    0.0000 N   0  0
   -1.2255   -6.8179    0.0000 C   0  0
   -2.3421   -5.8189    0.0000 C   0  0
   -3.7683   -6.2863    0.0000 N   0  0
   -4.8877   -5.2877    0.0000 C   0  0
   -6.3121   -5.7577    0.0000 C   0  0
   -6.6173   -7.2264    0.0000 N   0  0
   -5.4980   -8.2250    0.0000 C   0  0
   -4.0736   -7.7550    0.0000 C   0  0
   -1.3800   -8.3099    0.0000 C   0  0
   -0.0087   -8.9179    0.0000 S   0  0
    0.9914   -7.8027    0.0000 C   0  0
    2.4581   -7.4885    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 14 22  2  0
 22 23  1  0
 23 24  1  0
 24 13  1  0
 24 25  2  0
 25 11  1  0
  3 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 29  1  0
 34 35  2  0
 35 26  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15700

> <plate>
PLATE 006

> <well>
A6

> <supplier_cmpd_name>
SRT1720

> <ctcr_id>
350

> <supplier_cmpd_id>
T2412

> <smiles>
Cl.O=C(Nc1ccccc1c2cn3c(CN4CCNCC4)csc3n2)c5cnc6ccccc6n5

> <pd_targets>
{SIRT2,SIRT1,SIRT3,SLC6A2,ADRA2A,CHRM2,CHRM1}

> <pathway_gtopdb>
{"Epigenetic regulator",Transporter,"Membrane receptor",Eraser,"Electrochemical transporter","Family A G protein-coupled receptor","Histone deacetylase","SLC superfamily of solute carriers","Small mol
ecule receptor (family A GPCR)","HDAC class III","SLC06 neurotransmitter transporter family","Monoamine receptor","Adrenergic receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Chromatin modifying enzymes","SLC superfamily of solute carriers","G protein-coupled receptors","3.5.1.- Histone deacetylases (HDACs)","SLC6 neurotransmitter transport
er family",Adrenoceptors,"Acetylcholine receptors (muscarinic)","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Disease,"Signal Transduction",Mitotic,"RNA Polymerase II Transcription","Disorders of transmembrane transporters","Signaling by GPCR","M Phase","Generic
 Transcription Pathway","SLC transporter disorders","GPCR ligand binding","Mitotic Metaphase and Anaphase","FOXO-mediated transcription","Defective SLC6A2 causes orthostatic intolerance (OI)","Class A
/1 (Rhodopsin-like receptors)","Mitotic Anaphase","Regulation of FOXO transcriptional activity by acetylation","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Amine l
igand-binding receptors","Nuclear Envelope (NE) Reassembly",Adrenoceptors,"Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SIRT1}

> <broad_moa>
{"SIRT activator"}

> <synonyms>
{1001645-58-4,1001645584,SRT1720,"SRT1720 HCl","SRT 1720 Hydrochloride","SRT 1720 (Hydrochloride)","SRT1720 xHydrochloride","SRT1720 Hydrochloride","SRT-1720 xhydrochloride","SRT1720 xhydrochloride",c
c-265,cc265,MLS006011149,"SRT 1720 HCl",QCR-61,QCR61,SCHEMBL16372055,DTXSID80649411,BCP01774,SRT,T5124,T2412,S1129,"SRT 1720 dihydrochloride(925434-55-5(free base))"}

> <pdid>
PD050847

> <targets>
{Sirtuin}

> <classes>
{Epigenetics}

> <pubchem_cids>
{25232708}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -3.8990   -0.7455    0.0000 N   0  0
   -5.2003   -1.4932    0.0000 N   0  0
   -6.4990   -0.7410    0.0000 C   0  0
   -6.4964    0.7590    0.0000 O   0  0
   -7.8003   -1.4887    0.0000 C   0  0
   -9.0990   -0.7365    0.0000 N   0  0
  -10.4007   -1.4819    0.0000 C   0  0
  -11.6971   -0.7274    0.0000 C   0  0
  -11.6919    0.7726    0.0000 N   0  0
  -10.3903    1.5181    0.0000 C   0  0
   -9.0939    0.7636    0.0000 C   0  0
  -12.9875    1.5301    0.0000 C   0  0
  -12.9802    3.0310    0.0000 C   0  0
  -14.2740    3.7900    0.0000 C   0  0
  -14.2636    5.2900    0.0000 C   0  0
  -12.9594    6.0310    0.0000 C   0  0
  -11.6656    5.2720    0.0000 C   0  0
  -11.6760    3.7720    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
  8 28  1  0
 28  4  1  0
 28 29  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15701

> <plate>
PLATE 006

> <well>
A7

> <supplier_cmpd_name>
PAC1

> <ctcr_id>
8355

> <supplier_cmpd_id>
T2503

> <smiles>
C=CCC1=CC=CC(=C/NNC(=O)CN2CCN(CC2)Cc3ccccc3)\C1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AC,PAC-1,PAC1,315183-21-2,315183212,"PAC 1","Procaspase activating compound 1",UNII-9LIS8N0B2C,UNII9LIS8N0B2C,"Procaspase-3 Activator","Procaspase3 Activator",9LIS8N0B2C,"Procaspase-3 Activator, PAC-
1","Procaspase3 Activator, PAC1",CID6851947,"PAC-1 pound notPAC1","PAC1 pound notPAC1",cc-276,cc276,CHEMBL591429,GTPL5238,BDBM36363,DTXSID30897425,HMS3263J04,H,T2503,2581}

> <pdid>
PD038806

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{135421197}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -1.3040   -9.7511    0.0000 C   0  0
   -0.0032  -10.4997    0.0000 N   0  0
   -0.0001  -12.0006    0.0000 C   0  0
    1.2989  -12.7506    0.0000 N   0  0
    1.2989  -14.2506    0.0000 C   0  0
   -0.0001  -15.0006    0.0000 C   0  0
   -1.2992  -14.2507    0.0000 C   0  0
   -1.2992  -12.7507    0.0000 N   0  0
   -2.5988  -15.0010    0.0000 C   0  0
   -2.6013  -16.5011    0.0000 C   0  0
   -3.9015  -17.2490    0.0000 C   0  0
   -5.1994  -16.4970    0.0000 C   0  0
   -5.1970  -14.9970    0.0000 N   0  0
   -3.8968  -14.2490    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 14 29  1  0
 29 30  2  0
 30 11  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15702

> <plate>
PLATE 006

> <well>
A8

> <supplier_cmpd_name>
Mocetinostat

> <ctcr_id>
5444

> <supplier_cmpd_id>
T2512

> <smiles>
Nc1ccccc1NC(=O)c2ccc(CNc3nccc(n3)c4cccnc4)cc2

> <pd_targets>
{HDAC1,HDAC2,HDAC3,HDAC8,NCOR2,HDAC11,HDAC6,CYP3A4,NCOR1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,"Cytochrome P450","Histone deacetylase","Cytochrome P450 family 3","HDAC class I","HDAC class IV","HDAC class IIb","Cytochrome P450 family 3A","Cytochrome P450 3A
4"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cytochrome P450","3.5.1.- Histone deacetylases (HDACs)","CYP3 family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle",Metabolism,"Disorders of Developmental Biology","RNA Polymerase II Transcription",Mitotic,"Diseases of signal transduction by growth factor rece
ptors and second messengers","Metabolism of lipids","Disorders of Nervous System Development","Generic Transcription Pathway","M Phase","Signaling by NOTCH1 in Cancer","Biosynthesis of specialized pro
resolving mediators (SPMs)","Pervasive developmental disorders","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Transcript
ional regulation by RUNX2","Biosynthesis of DHA-derived SPMs","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Do
main Mutants","RUNX2 regulates bone development","Biosynthesis of maresins","Loss of MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability 
to the NCoR/SMRT complex","Separation of Sister Chromatids","RUNX2 regulates osteoblast differentiation","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{HDAC1,HDAC11,HDAC2,HDAC3}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Mocetinostat,726169-73-9,726169739,MGCD0103,MGCD-0103,"MGCD 0103","Mocetinostat (MGCD0103)",N-(2-aminophenyl)-4-(((4-pyridin-3-ylpyrimidin-2-yl)amino)methyl)benzamide,N(2aminophenyl)4(((4pyridin3ylpy
rimidin2yl)amino)methyl)benzamide,UNII-A6GWB8T96J,UNIIA6GWB8T96J,"MG 0103","Mocetinostat (MGCD0103, MG0103)",A6GWB8T96J,"Mocetinostat (MGC",T2512,S1122}

> <pdid>
PD011124

> <targets>
{HDAC Inhibitors,Apoptosis,Autophagy,HDAC}

> <classes>
{Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{9865515}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3039    3.7494    0.0000 N   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6078    5.9988    0.0000 C   0  0
    3.9055    5.2465    0.0000 O   0  0
    2.6109    7.4988    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 O   0  0
    0.0049   -5.9994    0.0000 C   0  0
    0.0102   -7.4994    0.0000 C   0  0
    1.3118   -8.2449    0.0000 C   0  0
    2.6082   -7.4904    0.0000 C   0  0
    2.6030   -5.9904    0.0000 C   0  0
    1.3014   -5.2449    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
  4 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 17 25  1  0
 25 26  2  0
 26  2  1  0
 26 14  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15703

> <plate>
PLATE 006

> <well>
A9

> <supplier_cmpd_name>
Roxadustat

> <ctcr_id>
4137

> <supplier_cmpd_id>
T2515

> <smiles>
Cc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccccc3)cc12

> <pd_targets>
{EGLN1,FTO,A085R,EGLN2,EGLN3,P4HTM}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Prolyl hydroxylases"}

> <pathway_reactome>
{"Cellular responses to external stimuli","DNA Repair","Cellular responses to stress","DNA Damage Reversal","Cellular response to hypoxia","Reversal of alkylation damage by DNA dioxygenases","Oxygen-d
ependent proline hydroxylation of Hypoxia-inducible Factor Alpha"}

> <broad_targets>
{EGLN1,EGLN2,EGLN3}

> <broad_moa>
{"hypoxia inducible factor prolyl hydroxylase inhibitor"}

> <synonyms>
{G459,Roxadustat,FG-4592,FG4592,808118-40-3,808118403,"Roxadustat (FG-4592)","Roxadustat (FG4592)",N-((4-Hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl)glycine,N((4Hydroxy1methyl7phenoxy3isoquino
linyl)carbonyl)glycine,ASP1517,UNII-X3O30D9YMX,UNIIX3O30D9YMX,"Glycine, N-((4-hydroxy-1-methyl-7-phenoxy-3-isoquinolinyl)carbonyl)-","Glycine, N((4hydroxy1methyl7phenoxy3isoquinolinyl)carbonyl)",2-((4
-hydroxy-1-methyl-7,2((4hydroxy1methyl7,T2515,S1007}

> <pdid>
PD011194

> <targets>
{HIF,Ferroptosis,HIF/HIF Prolyl-Hydroxylase}

> <classes>
{Angiogenesis,Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{11256664}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 34 38  0  0  1  0            999 V2000
    7.7938   -3.0046    0.0000 C   0  0
    6.4946   -3.7543    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8888   -5.2533    0.0000 C   0  0
    2.5875   -5.9994    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0007    0.0000 N   0  0
   -3.8959    3.7529    0.0000 C   0  0
   -3.8936    5.2529    0.0000 C   0  0
   -2.5933    6.0009    0.0000 O   0  0
   -1.2955    5.2488    0.0000 C   0  0
   -1.2979    3.7488    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 N   0  0
   -5.1993   -3.0005    0.0000 C   0  0
   -6.4995   -3.7484    0.0000 C   0  0  2  0  0  0
   -6.5019   -5.2484    0.0000 C   0  0
   -7.7973   -2.9963    0.0000 O   0  0
   -7.7950   -1.4963    0.0000 C   0  0  2  0  0  0
   -9.0928   -0.7443    0.0000 C   0  0
   -6.4947   -0.7484    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 17 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  6
 28 30  1  0
 30 31  1  0
 31 32  1  6
 31 33  1  0
 33 26  1  0
 15 34  2  0
 34 11  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15704

> <plate>
PLATE 006

> <well>
A10

> <supplier_cmpd_name>
KU0063794

> <ctcr_id>
7122

> <supplier_cmpd_id>
T2475

> <smiles>
COc1ccc(cc1CO)c2ccc3c(nc(nc3N4CCOCC4)N5C[C@H](C)O[C@H](C)C5)n2

> <pd_targets>
{KCNH2,MTOR,PIK3CD,PIK3CA,MLST8,RPTOR,MAPKAP1,RICTOR}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Voltage-gated ion channel",Kinase,Transferase,"Potassium channels","Protein Kinase","Voltage-gated potassium channel","Atypical protein kinase group","Atypical protein kinase PI
KK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Voltage-gated ion channels","Kinases (EC 2.7.x.x)","Potassium channels",Atypical,"Lipid modifying kinases","Voltage-gated potassium channels","Phosphatidyl inositol 3' kinase-
related kinases (PIKK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","FRAP subfamily"}

> <pathway_reactome>
{"Muscle contraction","Gene expression (Transcription)","Immune System",Disease,"Cardiac conduction","RNA Polymerase II Transcription","Cytokine Signaling in Immune system","Diseases of signal transdu
ction by growth factor receptors and second messengers","Phase 3 - rapid repolarisation","Generic Transcription Pathway","Signaling by Interleukins","Signaling by FGFR in disease","Transcriptional Reg
ulation by TP53",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Signaling by FGFR1 in disease","Regulation of TP53 Activity","Interleukin receptor SHC signaling","FGFR1 mutant receptor activation
","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{U006379,Ku-0063794,Ku0063794,938440-64-3,938440643,KU0063794,"KU 0063794",KU-63794,KU63794,UNII-81HJG228AB,UNII81HJG228AB,"Ku 63794",81HJG228AB,CHEMBL1078983,CHEBI:85572,C25H31N5O4,Ku63794,PubChem224
75,cc-34,cc34,MLS006011007,SCHEMBL290211,GTPL9360,AMY2729,AOB3533,DTXSID50239782,EX-A045,EXA045,SYN1050,ACT0,S1226,KU-0063794}

> <pdid>
PD003367

> <targets>
{mTOR}

> <classes>
{}

> <pubchem_cids>
{16736978}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -4.0312   -5.2379    0.0000 N   0  0
   -5.4984   -5.5497    0.0000 C   0  0
   -6.2484   -4.2507    0.0000 C   0  0
   -5.2447   -3.1360    0.0000 S   0  0
   -7.7381   -4.0910    0.0000 N   0  3
   -8.3463   -2.7198    0.0000 O   0  0
   -8.6219   -5.3030    0.0000 O   0  5
   -2.5981    1.5000    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 10  1  0
 13 15  1  0
 15 16  2  0
 15 17  1  0
  4 18  1  0
M  CHG  2  15   1  17  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15706

> <plate>
PLATE 006

> <well>
B2

> <supplier_cmpd_name>
Tizoxanide

> <ctcr_id>
11313

> <supplier_cmpd_id>
T2279

> <smiles>
c1ccc(c(c1)C(=O)Nc1ncc(s1)[N+](=O)[O-])O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Tizoxanide,173903-47-4,173903474,2-hydroxy-N-(5-nitrothiazol-2-yl)benzamide,2hydroxyN(5nitrothiazol2yl)benzamide,Desacetyl-nitazoxanide,Desacetylnitazoxanide,"Benzamide, 2-hydroxy-N-(5-nitro-2-thiazo
lyl)-","Benzamide, 2hydroxyN(5nitro2thiazolyl)",UNII-15KFG88UOJ,UNII15KFG88UOJ,"2-hydroxy-N-(5-nitro-1,3-thiazol-2-yl)benzamide","2hydroxyN(5nitro1,3thiazol2yl)benzamide",NSC-697856,NSC697856,15KFG88U
OJ,2-Hydroxy-N-(5-nitr,2HydroxyN(5nitr,T2279}

> <pdid>
PD012823

> <targets>
{Antiviral,Autophagy,Bacterial,HIV}

> <classes>
{Immunology/Inflammation,Anti-infection,Autophagy}

> <pubchem_cids>
{394397}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 28  0  0  1  0            999 V2000
   -0.0041   -2.9953    0.0000 C   0  0
    1.2925   -3.7494    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2570    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 N   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6060    6.0003    0.0000 C   0  0
    2.6060    7.5003    0.0000 C   0  0
    1.3070    8.2503    0.0000 C   0  0
    0.0079    7.5003    0.0000 C   0  0
    0.0079    6.0003    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6580   -2.9476    0.0000 C   0  0
   -2.1885   -3.7539    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
  9 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 21 25  1  0
 25 18  1  0
 25 26  2  0
 26  7  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15707

> <plate>
PLATE 006

> <well>
B3

> <supplier_cmpd_name>
Roscovitine

> <ctcr_id>
1691

> <supplier_cmpd_id>
T2095

> <smiles>
CC[C@H](CO)Nc1nc(NCc2ccccc2)c3ncn(C(C)C)c3n1

> <pd_targets>
{LMNA,CCNE1,CDK2,CCNH,CDK7,MNAT1,CCNB1,CDK1,CCNA1,CCNA2,MAPK1,DYRK1B,GMNN,CLK1,DYRK1A,CDK5,CDK5R1,GSK3-BETA,GSK3A,CCNT1,CDK9,RPS6KA2,CSNK1G2,CCND1,CDK4,CCNE2,MAPK3,CSNK1D,CSNK1A1,CDK6,CDK16,CLK2,CSNK1
E,GSK3B,SMN1,CLK4,CCNB2,CCNB3,CSNK1G3,DYRK2,CSNK1G1,SYN1,THRB,PMP22,PAK4,ALK,TTK,CACNA1C,CACNA1B,SRPK1,HIPK4,CYP2D6,CYP1A2,NFKB1,HIF1A,CHRM1,CYP3A4,CYP2C9,TSHR}

> <pathway_gtopdb>
{"Other nuclear protein",Enzyme,"Unclassified protein","Epigenetic regulator","Other cytosolic protein","Transcription factor","Ion channel",Kinase,Reader,"Nuclear receptor","Voltage-gated ion channel
","Protein Kinase","Methyl-lysine/arginine binding protein","Nuclear hormone receptor subfamily 1","Voltage-gated calcium channel","CMGC protein kinase group","AGC protein kinase group","CK1 protein k
inase group","Tudor domain","Nuclear hormone receptor subfamily 1 group A","STE protein kinase group","TKL protein kinase group","Other protein kinase group","CMGC protein kinase CDK family","CMGC pro
tein kinase MAPK family","CMGC protein kinase DYRK family","CMGC protein kinase CLK family","CMGC protein kinase GSK family","AGC protein kinase RSK family","CK1 protein kinase CK1 family","Nuclear ho
rmone receptor subfamily 1 group A member 2","STE protein kinase STE20 family","TKL protein kinase STKR family","Other protein kinase TTK family","CMGC protein kinase CDC2 subfamily","CMGC protein kin
ase CDK7 subfamily","CMGC protein kinase ERK1","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase CDK5 subfamily","CMGC protein kinase CDK9 subfamily","AGC protein kinase RSK subfamily","CMGC 
protein kinase TAIRE subfamily","CK1 protein kinase CK1-g","CMGC protein kinase Dyrk2 subfamily","STE protein kinase PAKB subfamily","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase SRP
K family","CMGC protein kinase HIPK subfamily","Membrane receptor","Cytochrome P450","Family A G protein-coupled receptor","Cytochrome P450 family 2","Cytochrome P450 family 1","Small molecule recepto
r (family A GPCR)","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Monoamine receptor","Cytochrome P450 family 3A","Cytochrome P4
50 family 2C","Glycohormone receptor","Cytochrome P450 2D6","Cytochrome P450 1A1","Acetylcholine receptor","Cytochrome P450 3A4","Cytochrome P450 2C9"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Catalytic receptors","Voltage-gated ion channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing
 PKA",PKG,"PKC families","CK1: Casein kinase 1","1A. Thyroid hormone receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Receptor kinases","Voltage-gated calcium channels"
,"Cyclin-dependent kinase (CDK) family","Mitogen-activated protein kinases (MAP kinases)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CLK family","RSK family","Case
in kinase 1 (CK1) family","STE20 family","TK: Tyrosine kinase","Other protein kinases","CDK1 subfamily","ERK subfamily","Dyrk1 subfamily","CDK5 subfamily","RSK subfamily","CDK9 subfamily","TAIRE subfa
mily","CDK4 subfamily","Dyrk2 subfamily","CDK7 subfamily","PAKB subfamily","Receptor tyrosine kinases (RTKs)","TTK family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","SRPK family
","HIPK subfamily","Cytochrome P450","G protein-coupled receptors","CYP2 family: drug metabolising subset","CYP1 family","Acetylcholine receptors (muscarinic)","CYP3 family","Glycoprotein hormone rece
ptors"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)","Immune System",Metabolism,Disease,"Metabolism of RNA","Neuronal System","Metabolism of proteins","Developmental Biology",Mitotic,"RNA Polymerase II Tra
nscription","Innate Immune System","Metabolism of lipids","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of non-coding RNA","Transm
ission across Chemical Synapses","Post-translational protein modification","Nervous system development","M Phase","Generic Transcription Pathway","Toll-like Receptor Cascades","Mitotic G1 phase and G1
/S transition","Sphingolipid metabolism","HIV Infection","Mitotic G2-G2/M phases","Signaling by WNT in cancer","snRNP Assembly","Regulation of mitotic cell cycle","Neurotransmitter release cycle",SUMO
ylation,"EGR2 and SOX10-mediated initiation of Schwann cell myelination","Axon guidance","Presynaptic depolarization and calcium channel opening","Mitotic Metaphase and Anaphase","Transcriptional Regu
lation by TP53","Toll Like Receptor 5 (TLR5) Cascade","G1/S Transition","G0 and Early G1","Sphingolipid de novo biosynthesis","HIV Life Cycle","G2/M Transition","Signaling by AMER1 mutants","APC/C-med
iated degradation of cell cycle proteins","G1 Phase","Dopamine Neurotransmitter Release Cycle","SUMO E3 ligases SUMOylate target proteins","Signaling by ROBO receptors","NCAM signaling for neurite out
-growth","Mitotic Anaphase","Regulation of TP53 Activity","MyD88 cascade initiated on plasma membrane","Activation of the pre-replicative complex","Late Phase of HIV Life Cycle","Centrosome maturation
","Truncations of AMER1 destabilize the destruction complex","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Cyclin D associated events in G1","SUMOylation of intracell
ular receptors","Activation of RAC1","NCAM1 interactions","Nuclear Envelope (NE) Reassembly","Regulation of TP53 Expression and Degradation","MAP kinase activation","Regulation of TP53 Activity throug
h Phosphorylation","Transcription of the HIV genome","Loss of proteins required for interphase microtubule organization from the centrosome","APC/C:Cdc20 mediated degradation of mitotic proteins","Ini
tiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","HIV Transcription Elongation","Loss of Nlp from mitotic centrosom
es","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","ERK/MAPK targets","CREB phosphorylation","Tat-mediated elongation of the HIV-1 transcript
","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERKs are inactivated","Formation of HIV-1 elongation complex containing HIV-1 Tat","Cellular responses to external stimuli","Signal Transducti
on","Biological oxidations","Cytokine Signaling in Immune system","Cellular responses to stress","Signaling by GPCR","Phase I - Functionalization of compounds","Signaling by Interleukins","Cellular re
sponse to hypoxia","GPCR ligand binding","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","Cytochrome P450 - arranged by substrate type","Interleukin-1 family signali
ng","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival",Xenob
iotics,"Interleukin-1 signaling","Amine ligand-binding receptors","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","CYP2E1 reactions","Aromatic amines ca
n be N-hydroxylated or N-dealkylated by CYP1A2","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammator
y cytokines production"}

> <broad_targets>
{CDK2,CDK9}

> <broad_moa>
{"CDK inhibitor"}

> <synonyms>
{roscovitine,Seliciclib,186692-46-6,186692466,R-Roscovitine,RRoscovitine,(R)-roscovitine,(R)roscovitine,CYC202,CYC-202,"CYC 202","Roscovitine (Seliciclib,CYC202)",2-(R)-(1-Ethyl-2-hydroxyethylamino)-6
-benzylamino-9-isopropylpurine,2(R)(1Ethyl2hydroxyethylamino)6benzylamino9isopropylpurine,UNII-0ES1C2KQ94,UNII0ES1C2KQ94,(R)-2-((6-(Benzylamino)-9-isopropyl,(R)2((6(Benzylamino)9isopropyl,T2095,S1153,
CC-205,"EMD 557360",Roscovitine,Roscovitine(CYC202),557360,ROSCOVITINE}

> <pdid>
PD011113

> <targets>
{CDK,cdk5,cdc2,cdk2}

> <classes>
{}

> <pubchem_cids>
{160355}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 40 45  0  0  0  0            999 V2000
   10.0511  -14.7351    0.0000 C   0  0
    9.4065  -13.3807    0.0000 C   0  0
    7.9112  -13.2621    0.0000 C   0  0
    8.5560  -14.6162    0.0000 C   0  0
   10.2555  -12.1461    0.0000 C   0  0
   11.7550  -12.1072    0.0000 O   0  0
   12.1813  -10.6691    0.0000 N   0  0
   10.9460   -9.8410    0.0000 C   0  0
   10.9040   -8.3408    0.0000 N   0  0
    9.5842   -7.6262    0.0000 C   0  0
    8.3064   -8.4119    0.0000 O   0  0
    9.5422   -6.1260    0.0000 N   0  0
    8.2224   -5.4114    0.0000 C   0  0
    8.1783   -3.9120    0.0000 C   0  0
    6.8578   -3.2005    0.0000 C   0  0
    5.5861   -3.9865    0.0000 C   0  0
    5.6255   -5.4877    0.0000 C   0  0
    6.9460   -6.1992    0.0000 C   0  0
    4.2151   -3.3761    0.0000 C   0  0
    3.9032   -1.9089    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 O   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 S   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.9160   -4.1261    0.0000 N   0  0
    9.7551  -10.7320    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 29  1  0
 25 35  1  0
 35 36  2  0
 36 22  1  0
 36 37  1  0
 37 38  1  0
 38 21  1  0
 38 39  2  0
 39 19  1  0
  8 40  1  0
 40  5  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15708

> <plate>
PLATE 006

> <well>
B4

> <supplier_cmpd_name>
Quizartinib

> <ctcr_id>
5565

> <supplier_cmpd_id>
T2066

> <smiles>
CC(C)(C)c1onc(NC(=O)Nc2ccc(cc2)c3cn4c5ccc(OCCN6CCOCC6)cc5sc4n3)c1

> <pd_targets>
{EPHA3,EPHA6,MKNK2,MAP3K7,PDGFRB,RET,MAPK15,FRK,HIPK4,STK10,NTRK2,FLT1,FLT3,KIT,PDGFRA,KDR,DDR1,MAP4K4,NTRK1,RIPK1,RIPK2,CSF1R,NTRK3,MAP3K19,EPHA7,SLK,ABL1,FLT4,MUSK,MYLK,LYN,DDR2,EPHB6,MAP4K5,TNIK,LC
K,MYLK3,TIE1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","TK protein kinase group","CAMK protein kinase group","TKL protein kinase group","CMGC protein kinase group","STE protein kinase group","Tyrosine
 protein kinase Eph family","CAMK protein kinase MAPKAPK family","TKL protein kinase MLK family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Ret family","CMGC protein kinase MAPK f
amily","Tyrosine protein kinase Src family","CMGC protein kinase DYRK family","STE protein kinase STE20 family","Tyrosine protein kinase Trk family","Tyrosine protein kinase VEGFR family","Tyrosine pr
otein kinase DDR family","TKL protein kinase RIPK family","STE protein kinase STE11 family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Musk family","CAMK protein kinase MLCK family"
,"Tyrosine protein kinase Tie family","CAMK protein kinase MNK subfamily","TKL protein kinase TAK1 subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase SLK subfamily","STE protein kinas
e MSN subfamily","STE protein kinase KHS subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs o
f yeast Sterile 7","Sterile 11","Sterile 20 kinases","TK: Tyrosine kinase","MAPK-Activated Protein Kinase (MAPKAPK) family","TKL: Tyrosine kinase-like","Mitogen-activated protein kinases (MAP kinases)
","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","STE20 family","Myosin Light Chain Kinase (MLCK) family","Receptor tyrosine kinases (RTKs)","MKN subfamily","Mixed Line
age Kinase (MLK) family","Erk7 subfamily","Non-receptor tyrosine kinases (nRTKs)","HIPK subfamily","SLK subfamily","MSN subfamily","Receptor interacting protein kinase (RIPK) family","STE20 subfamily"
,"KHS subfamily","Type XIII RTKs: Ephrin receptor family","TAK1 subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Src family","Type VII RTKs: Neurotrophin recepto
r/Trk family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XVI RTKs: DDR (collagen receptor) family","Abl family","Type IX RTKs: MuSK","Type XII RTKs: TIE family of 
angiopoietin receptors"}

> <pathway_reactome>
{"Developmental Biology","Immune System","Signal Transduction",Disease,"Extracellular matrix organization","Cellular responses to external stimuli","Gene expression (Transcription)","Nervous system de
velopment","Innate Immune System","Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messeng
ers","Non-integrin membrane-ECM interactions","Cellular responses to stress","RNA Polymerase II Transcription","Infectious disease","ECM proteoglycans","Signaling by Rho GTPases","Axon guidance","Toll
-like Receptor Cascades","PIP3 activates AKT signaling","Neutrophil degranulation","Signaling by NTRKs","Signaling by VEGF","Signaling by Insulin receptor","Signaling by KIT in disease","Signaling by 
PDGFR in disease","Cellular Senescence","Generic Transcription Pathway","Leishmania infection","RHO GTPase Effectors","HIV Infection","EPH-Ephrin signaling","Toll Like Receptor 4 (TLR4) Cascade","Nega
tive regulation of the PI3K/AKT network","RET signaling","PTEN Regulation","Signaling by NTRK1 (TRKA)","VEGF ligand-receptor interactions","Insulin receptor signalling cascade","Drug resistance of KIT
 mutants","Drug resistance of PDGFR mutants","VEGFA-VEGFR2 Pathway","Oxidative Stress Induced Senescence","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional Regulation by VENTX","Signaling by NTRK
3 (TRKC)","Parasite infection","RHO GTPases activate PAKs","Leishmania parasite growth and survival","Host Interactions of HIV factors","EPHA-mediated growth cone collapse","MyD88-independent TLR4 cas
cade",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Regulation of PTEN stability and activity","Activation of TRKA receptors","VEGF binds to VEGFR leading to receptor dimerization","IRS-mediated s
ignalling","Dasatinib-resistant KIT mutants","Imatinib-resistant PDGFR mutants","VEGFR2 mediated cell proliferation","Signalling to ERKs","MyD88 cascade initiated on plasma membrane","Activated NTRK3 
signals through PI3K","Leishmania phagocytosis","Anti-inflammatory response favouring Leishmania parasite infection","EPHB-mediated forward signaling","The role of Nef in HIV-1 replication and disease
 pathogenesis","TRIF(TICAM1)-mediated TLR4 signaling","NGF-independant TRKA activation","PI3K Cascade","Prolonged ERK activation events","MAP kinase activation","FCGR3A-mediated phagocytosis","FCGR3A-
mediated IL10 synthesis","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","TRAF6-mediated induction of TAK1 complex within TLR4 complex","ARMS-mediated 
activation","IKK complex recruitment mediated by RIP1","activated TAK1 mediates p38 MAPK activation","Nef Mediated CD4 Down-regulation"}

> <broad_targets>
{CSF1R,FLT3,KIT,PDGFRA,PDGFRB,RET}

> <broad_moa>
{"FLT3 inhibitor"}

> <synonyms>
{HY-13001,HY13001,Quizartinib,950769-58-1,950769581,AC220,"Quizartinib (AC220)",AC-220,"AC 220","Quizartinib HCl",UNII-7LA4O6Q0D3,UNII7LA4O6Q0D3,"Quizartinib freebase","AC 010220",AC010220,7LA4O6Q0D3,
CHEMBL576982,CHEBI:90217,ASP-2689,ASP2689,"950769-58-1 (free base)","950769581 (free base)",113282,T2066,S1526,quizartinib}

> <pdid>
PD003221

> <targets>
{FLT-3,Flt,FLT3,Apoptosis,Autophagy,"Ligand for Target Protein for PROTAC"}

> <classes>
{Angiogenesis,Apoptosis,Autophagy,PROTAC,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{24889392}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7554    0.0000 C   0  0
   -3.8938   -2.2554    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4007    1.4818    0.0000 C   0  0
  -11.6971    0.7273    0.0000 C   0  0
  -11.6919   -0.7727    0.0000 C   0  0
  -10.3903   -1.5182    0.0000 C   0  0
   -9.0939   -0.7637    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15709

> <plate>
PLATE 006

> <well>
B5

> <supplier_cmpd_name>
AG-490

> <ctcr_id>
7554

> <supplier_cmpd_id>
T2600

> <smiles>
Oc1ccc(cc1O)\C=C(C#N)\C(=O)NCc2ccccc2

> <pd_targets>
{HIF1A,FFP,TP53,EGFR,KDM4E,SMN1,LMNA,MAPT,CYP2C19,ALOX15,CYP1A2,ALOX12,CHRM1,CYP3A4,GMNN,ERBB2,GRIN1,GRIN2B,GRIN2C,HSD17B10,FTL,KMT2A,MEN1,RECQL,BLM,JAK1,NFKB1,JAK3,PMP22,MAPK1,THPO,ALDH1A1,PKM,HPGD,L
EF,GRIN2A,MTOR,MAP4K2,PLK3,MKNK2,EEF2K,PRKD2,HIPK4,MINK1,MARK2,MAPKAPK2,PIM1,GSK3B,SLK,MAP4K5,PLK4,PRKAA1,TAOK1,IRAK1,AURKB,MAP3K20,AXL,GSK3A,PLK1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Epigenetic regulator","Other nuclear protein","Other cytosolic protein","Membrane receptor","Unclassified protein","Ion channel",Transferase,Kinase,Eraser,Reader,"Cytoc
hrome P450",Oxidoreductase,"Family A G protein-coupled receptor","Ligand-gated ion channel",Protease,"Protein Kinase","Lysine demethylase","Methyl-lysine/arginine binding protein","Cytochrome P450 fam
ily 2","Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Ionotropic glutamate receptor",Bromodomain,"Metallo protease","TK protein kinase group","Jumonji
 domain-containing","Tudor domain","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Monoamine receptor","Cytochrome P450 family 3A","NMDA receptor","CMGC protein kinase group","Metallo proteas
e MAE clan","Atypical protein kinase group","Tyrosine protein kinase EGFR family","Cytochrome P450 2C19","Cytochrome P450 1A1","Acetylcholine receptor","Cytochrome P450 3A4","Tyrosine protein kinase J
akA family","CMGC protein kinase MAPK family","Metallo protease M34 family","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily","STE protein kinas
e group","Other protein kinase group","CAMK protein kinase group","TKL protein kinase group","STE protein kinase STE20 family","Other protein kinase PLK family","CAMK protein kinase MAPKAPK family","A
typical protein kinase alpha family","CAMK protein kinase PKD family","CMGC protein kinase DYRK family","CAMK protein kinase CAMK1 family","CAMK protein kinase PIM family","CMGC protein kinase GSK fam
ily","TKL protein kinase IRAK family","Other protein kinase AUR family","TKL protein kinase MLK family","Tyrosine protein kinase Axl family","STE protein kinase KHS subfamily","CAMK protein kinase MNK
 subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase MSN subfamily","CAMK protein kinase MARK subfamily","CAMK protein kinase MAPKAPK subfamily","STE protein kinase SLK subfamily","CAM
K protein kinase AMPK subfamily","STE protein kinase TAO subfamily","TKL protein kinase MLK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Chromatin modifying enzymes","Cytochrome P450","Eicosanoid turnover","G protein-coupled receptors","Kinases (EC 2.7.x.x)","2.7.1.40 Pyruvate kinases","Recepto
r kinases","1.14.11.- Histone demethylases","CYP2 family: drug metabolising subset",Lipoxygenases,"CYP1 family","Acetylcholine receptors (muscarinic)","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"C
LK families","Prostaglandin synthases",Atypical,"TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Receptor tyrosi
ne kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","ERK subfamily","FRAP subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Janus kinase (JakA) family","STE: Homologs of
 yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE20 family","Other protein kinases","MAPK-Activated Protein Kinase (MAPKAPK) family","Alpha 
kinase family","Protein kinase D (PKD) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CAMK-like (CAMKL) family","PIM family","Glycogen synthase kinase (GSK) fa
mily","TKL: Tyrosine kinase-like","KHS subfamily","Polo-like kinase (PLK) family","MKN subfamily","eEF2K subfamily","HIPK subfamily","MSN subfamily","MARK subfamily","MAPKAPK subfamily","GSK subfamily
","SLK subfamily","AMPK subfamily","TAO subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","Aurora kinase (Aur) family","Mixed Lineage Kinase (MLK) family","MLK subfamily","Type XI RT
Ks: TAM (TYRO3-","AXL- and MER-TK) receptor family"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Cell Cycle","Signal Transduction","Metabolism of RNA","Neuronal System",Metabolism,"Developmental Biology","Vesicle-mediated transport","DNA Repair","Immune 
System",Hemostasis,Disease,"Gene expression (Transcription)","Cellular responses to stress","Cell Cycle Checkpoints","Signaling by GPCR","Metabolism of non-coding RNA",Mitotic,"Transmission across Che
mical Synapses","Biological oxidations","Metabolism of lipids","Nervous system development","Metabolism of amino acids and derivatives","Membrane Trafficking","DNA Double-Strand Break Repair","Cytokin
e Signaling in Immune system","Innate Immune System","Platelet activation","signaling and aggregation","Metabolism of carbohydrates","Infectious disease","RNA Polymerase II Transcription","Cellular re
sponse to hypoxia","G1/S DNA Damage Checkpoints","GPCR downstream signalling","snRNP Assembly","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization 
of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand binding","Mitotic G1 phase and G1/S transition","Axon guidance","Branched-chain amino acid catabolism","trans-Gol
gi Network Vesicle Budding","Homology Directed Repair","Interferon Signaling","Signaling by Interleukins","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Toll-like Receptor Cascades"
,"Platelet Aggregation (Plug Formation)","Glucose metabolism","Uptake and actions of bacterial toxins","Generic Transcription Pathway","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Fact
or Alpha","p53-Dependent G1/S DNA damage checkpoint","G alpha (q) signalling events","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Cytochrome P450 - arranged
 by substrate type","Biosynthesis of DPA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","G1/S Transition","Semaphorin interactions","Golgi Associated Vesicle B
iogenesis","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Antiviral mechanism by IFN-stimulated genes","Interleukin-1 family signaling","Interleukin-2 family signaling"
,"Toll Like Receptor 5 (TLR5) Cascade","Ethanol oxidation",Glycolysis,"Uptake and function of anthrax toxins","Transcriptional Regulation by TP53","p53-Dependent G1 DNA Damage Response","Gastrin-CREB 
signalling pathway via PKC and MAPK","Mitotic Anaphase","Post NMDA receptor activation events",Xenobiotics,"Biosynthesis of DPAn-3 SPMs","Amine ligand-binding receptors","Biosynthesis of maresins","Ac
tivation of the pre-replicative complex","Sema4D in semaphorin signaling","HDR through Homologous Recombination (HRR)","ISG15 antiviral mechanism","Interleukin-1 signaling","Interleukin-15 signaling",
"MyD88 cascade initiated on plasma membrane","Biosynthesis of D-series resolvins","Regulation of TP53 Activity","Stabilization of p53","EGFR Transactivation by Gastrin","Nuclear Envelope (NE) Reassemb
ly","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","Biosynthesis of DPAn-3-derived protectins and resolvins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthe
sis of DPAn-3-derived maresins","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","Sema4D induced cell migration and growth-cone collapse","Homologous DNA Pairing and Strand Exc
hange","MAP3K8 (TPL2)-dependent MAPK1/3 activation","MAP kinase activation","Regulation of TP53 Expression and Degradation","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Env
elope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","ER
Ks are inactivated","MTOR signalling","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","mTORC1-mediated signalling","Sphingol
ipid metabolism","Cellular Senescence","FLT3 signaling in disease","SARS-CoV Infections","Mitotic G2-G2/M phases","Signaling by VEGF","Sphingolipid de novo biosynthesis","Oxidative Stress Induced Sene
scence","Signaling by FLT3 ITD and TKD mutants","SARS-CoV-1 Infection","G2/M Transition","VEGFA-VEGFR2 Pathway","STAT5 activation downstream of FLT3 ITD mutants","SARS-CoV-1 Genome Replication and Tra
nscription","Centrosome maturation","Regulation of TP53 Activity through Phosphorylation","Replication of the SARS-CoV-1 genome","Loss of proteins required for interphase microtubule organization from
 the centrosome","Separation of Sister Chromatids","Loss of Nlp from mitotic centrosomes","activated TAK1 mediates p38 MAPK activation","CREB phosphorylation"}

> <broad_targets>
{EGFR,JAK2,JAK3}

> <broad_moa>
{"EGFR inhibitor","JAK inhibitor"}

> <synonyms>
{"G490 (TYRPHOSTIN B42",133550-30-8,133550308,AG-490,AG490,"Tyrphostin B42","AG 490","Tyrphostin AG 490","(E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)acrylamide","(E)Nbenzyl2cyano3(3,4dihydroxyphenyl)
acrylamide","Tyrphostin AG490","tyrphostin AG-490","tyrphostin AG490","AG-490 (Tyrphostin B42)","AG490 (Tyrphostin B42)",alpha-Cyano-(3,alphaCyano(3,4-dihydroxy)-N-benzy,4dihydroxy)Nbenzy,T2600,"EMD 6
58401",EI-272,414,S1143,658401}

> <pdid>
PD002602

> <targets>
{EGFR,JAK}

> <classes>
{}

> <pubchem_cids>
{5328779}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 16 18  0  0  0  0            999 V2000
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1476   -0.7184    0.0000 O   0  0
   -0.7500   -1.5574    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
   -2.3882    2.1623    0.0000 O   0  0
   -1.6774    3.4832    0.0000 C   0  0
   -0.2015    3.2154    0.0000 C   0  0
    0.7681    4.3584    0.0000 C   0  0
    0.2621    5.7704    0.0000 C   0  0
   -1.2138    6.0383    0.0000 C   0  0
   -2.1837    4.8940    0.0000 C   0  0
    1.2320    6.9147    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  1  1  0
  4  9  1  0
  9 10  1  0
 10 11  2  0
 11  3  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 13 16  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15710

> <plate>
PLATE 006

> <well>
B6

> <supplier_cmpd_name>
CID755673

> <ctcr_id>
11438

> <supplier_cmpd_id>
T2458

> <smiles>
C1Cc2c(C(=O)NC1)oc1c2cc(cc1)O

> <pd_targets>
{HTT,RORC,PRKD1,STK33,PRKD2,PRKD3,CDK7,GSK3B,PLK1,LMNA,ALDH1A1,CDK5,CDK5R1,PKD2,DYRK1A}

> <pathway_gtopdb>
{"Unclassified protein","Transcription factor",Enzyme,"Other nuclear protein","Ion channel","Nuclear receptor",Kinase,Oxidoreductase,"Voltage-gated ion channel","Nuclear hormone receptor subfamily 1",
"Protein Kinase","Transient receptor potential channel","Nuclear hormone receptor subfamily 1 group F","CAMK protein kinase group","CMGC protein kinase group","Other protein kinase group","Nuclear hor
mone receptor subfamily 1 group F member 3","CAMK protein kinase PKD family","CAMK protein kinase unique family","CMGC protein kinase CDK family","CMGC protein kinase GSK family","Other protein kinase
 PLK family","CMGC protein kinase DYRK family","CMGC protein kinase CDK7 subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Catalytic receptors","Voltage-gated ion channels","1F. Retinoic acid-related orphans","CAMK: Calcium/calmodulin-de
pendent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","Transient Receptor Potential channels","Protein kinase D (PKD) family","CAMK-unique family","Cyclin-depende
nt kinase (CDK) family","Glycogen synthase kinase (GSK) family","Other protein kinases","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CDK7 subfamily","GSK subfamily",
"Polo-like kinase (PLK) family","Dyrk1 subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,Disease,"Cell Cycle","Organelle biogenesis and maintenance","RNA Polymerase II Transcription","Metabolism of lipids","Infectious disease",Mitotic,"Biologi
cal oxidations","Cilium Assembly","Generic Transcription Pathway","Sphingolipid metabolism","HIV Infection","SARS-CoV Infections","Mitotic G2-G2/M phases","M Phase","Phase I - Functionalization of com
pounds","Cargo trafficking to the periciliary membrane","Mitotic G1 phase and G1/S transition","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","Sphingolipid de novo biosynt
hesis","HIV Life Cycle","SARS-CoV-1 Infection","G2/M Transition","Mitotic Metaphase and Anaphase","Ethanol oxidation","VxPx cargo-targeting to cilium","G0 and Early G1","Regulation of MECP2 expression
 and activity","RUNX3 Regulates Immune Response and Cell Migration","Late Phase of HIV Life Cycle","SARS-CoV-1 Genome Replication and Transcription","Centrosome maturation","Mitotic Anaphase","Transcr
iption of the HIV genome","Replication of the SARS-CoV-1 genome","Loss of proteins required for interphase microtubule organization from the centrosome","Nuclear Envelope (NE) Reassembly","HIV Transcr
iption Elongation","Loss of Nlp from mitotic centrosomes","Initiation of Nuclear Envelope (NE) Reformation","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex con
taining HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{521937-07-5,521937075,CID755673,"CID 755673",cid-755673,cid755673,"7-Hydroxy-2,3,4,5-tetrahydro-1H-benzofuro(2,3-c)azepin-1-one","7Hydroxy2,3,4,5tetrahydro1Hbenzofuro(2,3c)azepin1one",MLS000043346,"2
,3,4,5-Tetrahydro-7-hydroxy-1H-benzofuro(2,3-c)azepin-1-one","2,3,4,5Tetrahydro7hydroxy1Hbenzofuro(2,3c)azepin1one",7-hydroxy-2,7hydroxy2,3,4,5-tetrahydro-(1)benzofuro(2,5tetrahydro(1)benzofuro(2,3-c)
azepin-1-on,3c)azepin1on,T2458}

> <pdid>
PD010243

> <targets>
{PKD1,PKD2,PKD3}

> <classes>
{Apoptosis}

> <pubchem_cids>
{755673}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 26  0  0  0  0            999 V2000
    7.8580    5.3610    0.0000 N   0  0
    6.4185    4.9394    0.0000 C   0  0
    4.9781    4.5176    0.0000 C   0  0
    4.6234    3.0602    0.0000 C   0  0
    3.1884    2.6409    0.0000 C   0  0
    2.0990    3.6745    0.0000 C   0  0
    2.4537    5.1320    0.0000 C   0  0
    3.8933    5.5535    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13  9  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 14 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15711

> <plate>
PLATE 006

> <well>
B7

> <supplier_cmpd_name>
PF-06447475

> <ctcr_id>
11439

> <supplier_cmpd_id>
T2050

> <smiles>
N#Cc1cc(ccc1)c1c[nH]c2c1c(ncn2)N1CCOCC1

> <pd_targets>
{LRRK2,STK3,STK26}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","STE protein kinase group","TKL protein kinase LRRK family","STE protein kinase STE20 family","STE protein kinase MST subfamily","STE protein
 kinase YSK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","TKL: Tyrosine kinase-like","STE20 family","Leuc
ine-rich repeat kinase (LRRK) family","MST subfamily","YSK subfamily"}

> <pathway_reactome>
{"Signal Transduction","Programmed Cell Death","Signaling by Non-Receptor Tyrosine Kinases","Signaling by Hippo",Apoptosis,"Signaling by PTK6","Apoptotic execution phase","PTK6 promotes HIF1A stabiliz
ation","Apoptotic cleavage of cellular proteins"}

> <broad_targets>
{LRRK2}

> <broad_moa>
{"serine/threonine kinase inhibitor"}

> <synonyms>
{F0644747,PF-06447475,PF06447475,1527473-33-1,1527473331,"3-(4-morpholino-7H-pyrrolo(2,3-d)pyrimidin-5-yl)benzonitrile","3(4morpholino7Hpyrrolo(2,3d)pyrimidin5yl)benzonitrile","3-(4-(morpholin-4-yl)-7
H-pyrrolo(2,3-d)pyrimidin-5-yl)benzonitrile","3(4(morpholin4yl)7Hpyrrolo(2,3d)pyrimidin5yl)benzonitrile",CHEMBL3393348,"PF 06447475",3FE,GTPL8054,SCHEMBL15401353,AOB5482,EX-A560,EXA560,BC,T2050}

> <pdid>
PD012846

> <targets>
{LRRK2,"G2019S LRRK2"}

> <classes>
{Autophagy}

> <pubchem_cids>
{72706840}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 30  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6531   -3.1237    0.0000 S   0  0
   -3.6607   -4.2349    0.0000 C   0  0
   -5.1519   -4.0729    0.0000 O   0  0
   -2.9152   -5.5365    0.0000 N   0  0
   -1.4469   -5.2297    0.0000 C   0  0
   -0.3297   -6.2307    0.0000 O   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    3.8943    3.7525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    3.8991   -0.7525    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0  2  0  0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8919   -5.2525    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13  8  1  0
 13 14  2  0
  2 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
  1 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 25 27  1  1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15712

> <plate>
PLATE 006

> <well>
B8

> <supplier_cmpd_name>
AZD1208

> <ctcr_id>
11440

> <supplier_cmpd_id>
T2300

> <smiles>
c1(c(cccc1/C=C/1\SC(=O)NC1=O)c1ccccc1)N1CCC[C@H](C1)N

> <pd_targets>
{PIM1,PIM3,PIM2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase PIM family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","PIM family"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","FLT3 signaling in disease","Signaling by FLT3 ITD and TKD mutants","STAT5 activation downstream of FLT3 ITD
 mutants"}

> <broad_targets>
{PIM1,PIM2,PIM3}

> <broad_moa>
{"Pim kinase inhibitor"}

> <synonyms>
{AZD1208,1204144-28-4,1204144284,AZD-1208,UNII-S98NFM1378,UNIIS98NFM1378,CHEMBL2048872,S98NFM1378,"AZD 1208",GTPL7698,SCHEMBL1580644,AOB87151,EX-A1804,EXA1804,2236AH,BDBM50387298,MFCD25976757,NSC77606
6,NSC799343,s7104,ZINC84670255,AKOS025404917,CCG-268400,CCG268400,CS-1668,CS1668,NSC-776066,NSC-799,NSC799,T2300}

> <pdid>
PD010621

> <targets>
{Pim,Pim1,Pim2,Pim3,Apoptosis,Autophagy}

> <classes>
{Chromatin/Epigenetic,JAK/STAT signaling,Apoptosis,Autophagy,JAK/STAT Signaling}

> <pubchem_cids>
{58423153}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0970   -6.1150    0.0000 C   0  0
   -0.5664   -7.5397    0.0000 N   0  0
   -2.0664   -7.5335    0.0000 N   0  0
   -2.5240   -6.1051    0.0000 C   0  0
   -3.9459   -5.6272    0.0000 O   0  0
   -2.9535   -8.7440    0.0000 C   0  0
   -2.5952  -10.1826    0.0000 S   0  0
   -3.8772  -10.9613    0.0000 C   0  0
   -5.0140   -9.9828    0.0000 C   0  0
   -4.4346   -8.5992    0.0000 N   0  0
   -6.4746  -10.3275    0.0000 C   0  0
   -7.0105  -11.7232    0.0000 C   0  0
   -8.4921  -11.9569    0.0000 C   0  0
   -9.4354  -10.7905    0.0000 C   0  0
   -8.8969   -9.3905    0.0000 C   0  0
   -7.4152   -9.1568    0.0000 C   0  0
    1.3287   -5.6489    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 16 12  1  0
 16 17  2  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 18  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 13 29  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15713

> <plate>
PLATE 006

> <well>
B9

> <supplier_cmpd_name>
BAM7

> <ctcr_id>
7336

> <supplier_cmpd_id>
T2453

> <smiles>
CCOc1ccccc1N\N=C\2C(=NN(C2=O)c3scc(n3)c4ccccc4)C

> <pd_targets>
{BCL2,BAX}

> <pathway_gtopdb>
{"Ion channel","Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{"Other protein targets","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)","Innate Immune System","RNA Polymerase II Transcription","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling pathway
s","Generic Transcription Pathway",Inflammasomes,"Transcriptional Regulation by TP53","The NLRP1 inflammasome","TP53 Regulates Transcription of Cell Cycle Genes","TP53 Regulates Transcription of Genes
 Involved in G2 Cell Cycle Arrest"}

> <broad_targets>
{BAX}

> <broad_moa>
{"BAX activator"}

> <synonyms>
{BAM7,S7105}

> <pdid>
PD012596

> <targets>
{Bcl-2}

> <classes>
{}

> <pubchem_cids>
{5754137}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.6177   -1.4570    0.0000 C   0  0
   -5.8657   -2.7548    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 C   0  0
    2.6005   -2.9949    0.0000 C   0  0
    3.9021   -3.7404    0.0000 C   0  0
    3.9073   -5.2404    0.0000 C   0  0
    5.2089   -5.9859    0.0000 I   0  0
    2.6108   -5.9949    0.0000 C   0  0
    1.3092   -5.2494    0.0000 C   0  0
    0.0128   -6.0039    0.0000 F   0  0
   -2.5981    3.0007    0.0000 C   0  0
   -1.3003    3.7529    0.0000 C   0  0
   -1.3026    5.2529    0.0000 C   0  0
   -2.6029    6.0009    0.0000 C   0  0
   -3.9007    5.2488    0.0000 C   0  0
   -5.2032    5.9944    0.0000 N   0  0
   -6.5007    5.2401    0.0000 C   0  0
   -6.4957    3.7401    0.0000 C   0  0
   -7.8025    5.9854    0.0000 O   0  0
   -3.8983    3.7488    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 11  1  0
 10 14  1  0
 14 15  2  0
 14 16  1  0
 16  6  1  0
 16 17  2  3
 17  2  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
 25 26  1  0
  7 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 31 36  2  0
 36 27  1  0
  5 37  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15714

> <plate>
PLATE 006

> <well>
B10

> <supplier_cmpd_name>
Trametinib

> <ctcr_id>
311

> <supplier_cmpd_id>
T2125

> <smiles>
CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(C)=O)c5)C

> <pd_targets>
{MAP2K1,MAP2K2,ABCB1,BRAF}

> <pathway_gtopdb>
{Enzyme,Transporter,Kinase,"Primary active transporter","Protein Kinase","ATP-binding cassette","STE protein kinase group","ABCB subfamily","TKL protein kinase group","STE protein kinase STE7 family",
"TKL protein kinase RAF family"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","Catalytic receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","ABCB subfam
ily","Receptor kinases","STE7 family","TKL: Tyrosine kinase-like","RAF family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Signaling by Receptor Tyrosine Kinases","Abacavir transport and metabolism","Signaling by NTRKs","Abacavir transmembrane transport","Signaling by NTRK1 (TRKA)","Sign
alling to ERKs","Prolonged ERK activation events","Frs2-mediated activation","ARMS-mediated activation"}

> <broad_targets>
{MAP2K1,MAP2K2}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{Trametinib,871700-17-3,871700173,GSK1120212,Mekinist,GSK-1120212,"JTP 74057",JTP-74057,JTP74057,"GSK 1120212","Trametinib (GSK1120212)",GSK212,UNII-33E86K87QN,UNII33E86K87QN,TMT212,CHEBI:75998,TMT-21
2,33E86K87QN,"Trametinib (USAN:INN)",trametinibum,QOM,"Trametinib (USAN)",T2125,758246,S2673,trametinib,"GSK1120212 (Trametinib)"}

> <pdid>
PD003250

> <targets>
{MEK}

> <classes>
{MAPK,"Kinase inhibitor"}

> <pubchem_cids>
{11707110}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 43 47  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
   -1.3071   -9.7511    0.0000 C   0  0
   -2.6056  -10.5019    0.0000 C   0  0
   -0.0078  -10.5008    0.0000 C   0  0
   -1.3064  -11.2511    0.0000 C   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 N   0  0
    6.4971    0.7567    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    6.4923    3.7567    0.0000 O   0  0
    3.8943    3.7525    0.0000 C   0  0
    3.8888    5.2533    0.0000 N   0  0
    2.5868    5.9998    0.0000 C   0  0
    2.5791    7.4998    0.0000 C   0  0
    1.2763    8.2433    0.0000 C   0  0
   -0.0189    7.4867    0.0000 C   0  0
   -0.0113    5.9867    0.0000 C   0  0
    1.2915    5.2433    0.0000 C   0  0
   -1.3240    8.2279    0.0000 C   0  0
   -1.3342    9.7278    0.0000 O   0  0
   -2.6189    7.4691    0.0000 N   0  0
   -3.9243    8.2079    0.0000 C   0  0
   -5.2169    7.4469    0.0000 C   0  0
   -5.2041    5.9469    0.0000 O   0  0
   -3.8988    5.2080    0.0000 C   0  0
   -2.6062    5.9691    0.0000 C   0  0
    2.5964    3.0004    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
  3 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 29  1  0
 32 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 37  1  0
 27 43  2  0
 43 21  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15715

> <plate>
PLATE 006

> <well>
B11

> <supplier_cmpd_name>
CGI1746

> <ctcr_id>
11441

> <supplier_cmpd_id>
T2472

> <smiles>
Cc1c(cccc1NC(=O)c1ccc(cc1)C(C)(C)C)c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1

> <pd_targets>
{BTK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase Tec family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Tec family"}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Parasite infection","Leishmania phagocytosis","FCGR3A-mediated phagocytosis"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CGI-1746,CGI1746,910232-84-7,910232847,GCI1746,"CGI 1746",C34H37N5O4,SCHEMBL769731,GTPL8066,CHEMBL1230541,BDBM36516,DTXSID70647724,EX-A614,EXA614,SYN1164,HMS3652B20,AOB87149,BCP05160,MFCD18782602,s70
51,ZINC58631343,AKOS024462679,BCP9000510,CCG-270125,CCG270125,"CGI1746, 2",T2472}

> <pdid>
PD003242

> <targets>
{BTK}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{24857323}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    9.3115   -5.7088    0.0000 C   0  0
    8.5637   -7.0091    0.0000 C   0  0
    9.3164   -8.3066    0.0000 N   0  0
    7.0629   -7.0113    0.0000 C   0  0
    6.3152   -8.3117    0.0000 O   0  0
    6.3098   -5.7131    0.0000 O   0  0
    4.8090   -5.7153    0.0000 C   0  0
    4.0613   -7.0156    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    2.5551   -4.4192    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -3.8939    0.7546    0.0000 C   0  0
   -5.1904    1.5090    0.0000 C   0  0
   -6.4920    0.7635    0.0000 C   0  0
   -7.9161    1.2320    0.0000 N   0  0
   -8.8020    0.0215    0.0000 C   0  0
  -10.3020    0.0267    0.0000 C   0  0
   -7.9245   -1.1951    0.0000 C   0  0
   -6.4971   -0.7365    0.0000 C   0  0
   -5.2007   -1.4909    0.0000 C   0  0
   -5.2059   -2.9909    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6923   -4.0811    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 22  1  0
 27 28  2  0
 28 19  1  0
 28 29  1  0
 17 30  1  0
 30 13  1  0
 30 31  2  0
 31 11  1  0
 31 32  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15716

> <plate>
PLATE 006

> <well>
C2

> <supplier_cmpd_name>
Brivanib Alaninate

> <ctcr_id>
5616

> <supplier_cmpd_id>
T2576

> <smiles>
CC(N)C(=O)OC(C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

> <pd_targets>
{FLT1,FLT4,KDR,FGFR1,FGFR2,FGFR3,FGFR4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase FGFR family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{FGFR3}

> <broad_moa>
{"FGFR inhibitor","VEGFR inhibitor"}

> <synonyms>
{SCHEMBL2263525,HMS3651K03,AKOS026750544,NCGC00389340-01,NCGC0038934001,DB-073559,DB073559,FT-0663602,FT0663602,T2576,S1138,"Brivanib Alaninate","Brivanib alaninate (BMS-582664)","Brivanib Alaninate (
BMS-582664)"}

> <pdid>
PD011119

> <targets>
{VEGFR,FGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{22508903}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 35 37  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 S   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.5993    0.0004    0.0000 O   0  0
    1.3000   -0.7500    0.0000 O   0  0
   11.5904    0.3824    0.0000 O   0  0
   12.8907    1.1301    0.0000 C   0  0
   12.8928    2.6309    0.0000 N   0  0
   11.5946    3.3840    0.0000 C   0  0
   11.5946    4.8840    0.0000 C   0  0
   10.2956    5.6340    0.0000 C   0  0
    8.9965    4.8840    0.0000 C   0  0
    8.9965    3.3840    0.0000 C   0  0
   10.2956    2.6340    0.0000 C   0  0
    7.6963    5.6345    0.0000 C   0  0
    8.9090    6.4540    0.0000 C   0  0
    8.4439    7.8801    0.0000 C   0  0
    6.9439    7.8784    0.0000 C   0  0
    6.4819    6.4513    0.0000 C   0  0
    6.3982    4.8813    0.0000 C   0  0
    5.1007    4.1286    0.0000 N   0  0
   14.1889    0.3770    0.0000 C   0  0
   15.4881    1.1270    0.0000 C   0  0
   16.7871    0.3769    0.0000 C   0  0
   16.7870   -1.1231    0.0000 C   0  0
   15.4880   -1.8730    0.0000 N   0  0
   14.1890   -1.1230    0.0000 C   0  0
   12.8908   -1.8761    0.0000 N   0  0
   12.8929   -3.3769    0.0000 C   0  0
   11.5947   -4.1300    0.0000 C   0  0
   11.5947   -5.6301    0.0000 C   0  0
   10.2957   -6.3801    0.0000 C   0  0
    8.9966   -5.6301    0.0000 N   0  0
    8.9965   -4.1301    0.0000 C   0  0
   10.2956   -3.3801    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 15  1  0
 15 20  1  0
 20 21  3  0
  7 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15717

> <plate>
PLATE 006

> <well>
C3

> <supplier_cmpd_name>
Apatinib

> <ctcr_id>
4550

> <supplier_cmpd_id>
T2582

> <smiles>
CS(=O)(=O)O.O=C(Nc1ccc(cc1)C2(CCCC2)C#N)c3cccnc3NCc4ccncc4

> <pd_targets>
{KDR,KIT,RET,CSK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Cs
k family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type IV RTKs: VEGF (vascular endothelial growth fa
ctor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Csk family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Developmental Biology","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Nervous system devel
opment","Signaling by VEGF","Signaling by KIT in disease","Axon guidance","Oncogenic MAPK signaling","VEGFA-VEGFR2 Pathway","Drug resistance of KIT mutants","RET signaling","Signaling by RAS mutants",
"VEGFR2 mediated cell proliferation","Dasatinib-resistant KIT mutants","Signaling downstream of RAS mutants"}

> <broad_targets>
{CSK,KDR,KIT,RET}

> <broad_moa>
{"RET tyrosine kinase inhibitor"}

> <synonyms>
{Apatinib,"Apatinib Mesylate",1218779-75-9,1218779759,"1218779 75 9","Rivoceranib mesylate",YN968D1,YN-968D1,"YN 968D1",UNII-TK02X14ASJ,UNIITK02X14ASJ,"UNII TK02X14ASJ",TK02X14ASJ,Apatinib?mesylate,"A
litan (TN)","Apatinib (YN968D1)","Apatinib - YN968D1","Apatinib  YN968D1","Apatinib   YN968D1","Rivoceranib mesylate (USAN)",cc-605,cc605,"cc 605",MLS006011286,CHEMB,T5153,T2582,S2221,"Apatinib mesyla
te"}

> <pdid>
PD057121

> <targets>
{VEGFR,c-RET}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{45139106}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -3.9005    5.2525    0.0000 C   0  0
   -5.1984    6.0044    0.0000 C   0  0
   -5.1963    7.5044    0.0000 C   0  0
   -3.8963    8.2525    0.0000 C   0  0
   -2.5983    7.5007    0.0000 C   0  0
   -2.6004    6.0007    0.0000 C   0  0
   -3.8911    9.7534    0.0000 C   0  0
   -5.1878   10.5074    0.0000 O   0  0
   -2.5892   10.5001    0.0000 N   0  0
   -2.5840   12.0009    0.0000 C   0  0
   -1.2839   12.7492    0.0000 C   0  0
   -1.2818   14.2492    0.0000 C   0  0
   -2.5798   15.0010    0.0000 C   0  0
   -3.8799   14.2529    0.0000 N   0  0
   -3.8820   12.7529    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15718

> <plate>
PLATE 006

> <well>
C4

> <supplier_cmpd_name>
STF-31

> <ctcr_id>
8318

> <supplier_cmpd_id>
T2363

> <smiles>
CC(C)(C)c1ccc(cc1)[S](=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3

> <pd_targets>
{NAMPT}

> <pathway_gtopdb>
{Enzyme}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Metabolism of vitamins and cofactors","Metabolism of water-soluble vitamins and cofactors","Nicotinate metabolism","Nicotinamide salvaging"}

> <broad_targets>
{NAMPT,SLC2A1}

> <broad_moa>
{"NAMPT inhibitor"}

> <synonyms>
{STF31,724741-75-7,724741757,"STF 31",CHEMBL3105156,4-((((4-Tert-Butylphenyl)sulfonyl)amino)methyl)-N-(Pyridin-3-Yl)benzamide,4((((4TertButylphenyl)sulfonyl)amino)methyl)N(Pyridin3Yl)benzamide,4-(((4-
(tert-butyl)phenyl)sulfonamido)methyl)-N-(pyridin-3-yl)benzamide,4(((4(tertbutyl)phenyl)sulfonamido)methyl)N(pyridin3yl)benzamide,4-(((4-tert-butylphenyl)sulfonylamino)methyl)-N-pyridin-3-y,4(((4tertb
utylphenyl)sulfonylamino)methyl)Npyridin3y,T2363,4484,STF-31}

> <pdid>
PD003497

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{984333}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 34 39  0  0  0  0            999 V2000
    2.8168    0.1000    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -0.3115    2.9665    0.0000 C   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.4133    1.7530    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8056   -3.8680    0.0000 C   0  0
   -3.3371   -5.2929    0.0000 C   0  0
   -1.8371   -5.2877    0.0000 N   0  0
   -1.3786   -3.8595    0.0000 N   0  0
   -4.2150   -6.5101    0.0000 C   0  0
   -5.4726   -7.1644    0.0000 C   0  0
   -4.1825   -7.9296    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    5.3712   -0.4376    0.0000 C   0  0
    5.6766    1.0310    0.0000 O   0  0
    6.4913   -1.4365    0.0000 N   0  0
    7.9168   -0.9668    0.0000 C   0  0
    9.0377   -1.9636    0.0000 C   0  0
   10.4614   -1.4913    0.0000 C   0  0
   10.7643   -0.0222    0.0000 C   0  0
   12.1880    0.4501    0.0000 F   0  0
    9.6434    0.9746    0.0000 N   0  0
    8.2197    0.5023    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  9  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 16  2  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 21  1  0
 14 24  2  0
 24  7  1  0
  2 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 31 33  1  0
 33 34  2  0
 34 28  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15719

> <plate>
PLATE 006

> <well>
C5

> <supplier_cmpd_name>
BMS-754807

> <ctcr_id>
4392

> <supplier_cmpd_id>
T2349

> <smiles>
CC1(CCCN1c2nn3cccc3c(Nc4cc([nH]n4)C5CC5)n2)C(=O)Nc6ccc(F)nc6

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MS75480,SCHEMBL14860927,AKOS026750442,NCGC00389276-02,NCGC0038927602,DB-058305,DB058305,FT-0685177,FT0685177,S1124,BMS-754807}

> <pdid>
PD063338

> <targets>
{"Trk receptor",IGF-1R,c-Met}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{71548617}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
   -3.7793  -11.3955    0.0000 O   0  0
   -4.2401   -9.9681    0.0000 C   0  0
   -5.7077   -9.6537    0.0000 N   0  0
   -6.7155  -10.7648    0.0000 C   0  0
   -8.1816  -10.4476    0.0000 C   0  0
   -8.6399   -9.0193    0.0000 N   0  0
   -7.6322   -7.9083    0.0000 C   0  0
   -6.1661   -8.2254    0.0000 C   0  0
   -3.2334   -8.8550    0.0000 C   0  0
   -1.7662   -9.1671    0.0000 C   0  0
   -0.7624   -8.0525    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -2.6928   -6.3138    0.0000 C   0  0
   -3.6967   -7.4283    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  2  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 17  1  0
 25 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15720

> <plate>
PLATE 006

> <well>
C6

> <supplier_cmpd_name>
KW2449

> <ctcr_id>
7182

> <supplier_cmpd_id>
T2341

> <smiles>
O=C(N1CCNCC1)c2ccc(cc2)/C=C/c3n[nH]c4ccccc34

> <pd_targets>
{MERTK,INSR,KIT,TLK1,CILK1,TNIK,IRAK4,MAP3K19,STK35,CSNK1D,MAP2K5,HIPK1,FYN,PKN1,NUAK2,MAP3K7,BMP2K,FGFR4,MYLK4,SBK1,MINK1,ACVR1,ACVR2B,PIP5K1A,BMPR2,CSNK1E,MAP3K10,MST1R,PDPK1,SRPK1,TTK,PRPF4B,FLT3,A
LK,EPHA2,EPHB6,LATS1,ABL1,DYRK1B,FER,EGFR,PRKAA2,CAMK2A,MET,RPS6KA2,EPHA6,SRPK2,FGFR3,IRAK3,AAK1,DAPK1,STK4,ABL2,HIPK3,CAMK1,RIPK2,PIP4K2B,STK24,MAP2K4,NEK4,MAP3K2,SGK3,LATS2,CDK17,STK11,ERN1,FES,LYN,
MAPK8,CAMK1D,MAP2K2,RPS6KA4,PAK4,ULK3,DAPK3,ACVR2A,BMX,FRK,JAK1,MAP2K3,TXK,CDC42BPG,TYK2,AURKA,CDKL2,BRSK2,CIT,IKBKE,INSRR,AURKC,DDR2,IGF1R,CSNK1G2,DDR1,MAP3K3,MAPK6,CAMK1G,SIK3,MARK1,PAK5,HIPK2,STK33
,MAPK9,SBK3,CDPK1,STK38L,MKNK2,RIPK4,GRK7,SIK1,TEK,STK39,TBK1,SRPK3,SLK,RET,FGFR1,MYLK2,MAP3K9,MYLK3,ZAP70,DSTYK,NEK7,NIM1K,SIK2,GRK4,NEK5,LTK,CSK,MAP4K2,ROCK2,EPHA1,ITK,PKN2,RPS6KA6,CHEK1,LRRK2,RPS6K
A3,GAK,NTRK2,PRKG2,FGR,YES1,CDK16,STK25,MYLK,AURKB,PRKG1,MAP3K13,PRKX,EPHB4,SRC,NTRK1,MYO3B,BLK,CSNK1A1,KDR,MAP3K11,NEK3,PAK2,PDGFRB,MAPK7,MAPK10,RPS6KA1,SYK,RIOK3,TNK1,CLK2,PRKAA1,STK16,MAP4K1,MAP2K6
,EIF2AK2,NEK2,ULK2,MELK,TNK2,BMPR1B,CDK7,CSNK2A2,FLT4,PAK1,MAPK11,MAP2K1,MAP4K3,RIPK1,STK17B,STK38,BTK,MATK,JAK3,TAOK3,PLK4,TSSK1B,BRSK1,CDK15,PTK2B,WEE2,RIOK2,CSNK1G1,CAMKK1,DCLK3,MAPK15,HIPK4,ANKK1,
TLK2,CDK4,MARK2,RIOK1,NEK9,CLK4,DMPK,EPHA7,EPHB1,STK17A,CHUK,PHKG1,OXSR1,MUSK,BMPR1A,RPS6KA5,JAK2,MAP3K4,STK10,CAMKK2,MAP4K5,IKBKB,PAK3,WEE1,STK32A,AXL,PRKD1,EIF2AK4,CHEK2,PRKD2,FGFR2,MARK4,PKNB,SRMS,
MAP3K20,DYRK1A,TAOK1,IRAK1,CSNK2A1,FLT1,MARK3,NEK1,CDK14,CLK1,NTRK3,PTK2,STK26,DCLK1,CSF1R,MAP3K12,DAPK2,HUNK,MYO3A,PAK6,MAP4K4,RPS6KB1,DYRK2,MAPKAPK5,CSNK1G3,ULK1,NEK6,PHKG2,EPHA3,ROCK1,TIE1,PRKD3,CL
K3,LCK,PDGFRA,HCK}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,Transferase,"Protein Kinase","TK protein kinase group","Other protein kinase group","CMGC protein kinase group","STE protein kinase group","TKL protein kinase gro
up","CK1 protein kinase group","AGC protein kinase group","CAMK protein kinase group","Atypical protein kinase group","Tyrosine protein kinase Axl family","Tyrosine protein kinase InsR family","Tyrosi
ne protein kinase PDGFR family","Other protein kinase TLK family","CMGC protein kinase RCK family","STE protein kinase STE20 family","TKL protein kinase IRAK family","STE protein kinase STE11 family",
"Other protein kinase NKF4 family","CK1 protein kinase CK1 family","STE protein kinase STE7 family","CMGC protein kinase DYRK family","Tyrosine protein kinase Src family","AGC protein kinase PKN famil
y","CAMK protein kinase CAMK1 family","TKL protein kinase MLK family","Other protein kinase NAK family","Tyrosine protein kinase FGFR family","CAMK protein kinase MLCK family","Other protein kinase NK
F1 family","TKL protein kinase STKR family","Tyrosine protein kinase Met family","AGC protein kinase PDK1 subfamily","CMGC protein kinase SRPK family","Other protein kinase TTK family","Tyrosine prote
in kinase Eph family","AGC protein kinase NDR family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Fer family","Tyrosine protein kinase EGFR family","CAMK protein kinase CAMK2 family"
,"AGC protein kinase RSK family","CAMK protein kinase DAPK family","TKL protein kinase RIPK family","Other protein kinase NEK family","AGC protein kinase SGK family","CMGC protein kinase CDK family","
CMGC protein kinase MAPK family","Other protein kinase ULK family","Tyrosine protein kinase Tec family","Tyrosine protein kinase JakA family","AGC protein kinase DMPK family","Other protein kinase AUR
 family","CMGC protein kinase CDKL family","Tyrosine protein kinase DDR family","CAMK protein kinase unique family","CAMK protein kinase MAPKAPK family","AGC protein kinase GRK family","Tyrosine prote
in kinase Tie family","Other protein kinase IKK family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Syk family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Csk fami
ly","TKL protein kinase LRRK family","Tyrosine protein kinase Trk family","AGC protein kinase PKG family","AGC protein kinase PKA family","Tyrosine protein kinase VEGFR family","Atypical protein kinas
e RIO family","Tyrosine protein kinase Ack family","CMGC protein kinase CLK family","Other protein kinase PEK family","Other protein kinase CK2 family","Other protein kinase PLK family","CAMK protein 
kinase TSSK family","Tyrosine protein kinase Fak family","Other protein kinase WEE family","Other protein kinase CAMKK family","CAMK protein kinase DCAMK1 family","CAMK protein kinase PHk family","Tyr
osine protein kinase Musk family","AGC protein kinase YANK family","CAMK protein kinase PKD family","CAMK protein kinase RAD53 family","CMGC protein kinase MAK","STE protein kinase MSN subfamily","CMG
C protein kinase HIPK subfamily","Tyrosine protein kinase SrcA","CAMK protein kinase NuaK subfamily","TKL protein kinase TAK1 subfamily","TKL protein kinase STKR1","TKL protein kinase STKR Type 2 subf
amily","TKL protein kinase MLK subfamily","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase Dyrk1 subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase RSK subfamily","STE 
protein kinase MST subfamily","STE protein kinase YSK subfamily","STE protein kinase MEKK2","CMGC protein kinase PCTAIRE","CAMK protein kinase LKB subfamily","CMGC protein kinase JNK subfamily","AGC p
rotein kinase MSK subfamily","STE protein kinase PAKB subfamily","AGC protein kinase GEK subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinase CRIK subfamily","CMGC protein kinase ERK3",
"CAMK protein kinase QIK subfamily","CAMK protein kinase MARK subfamily","CAMK protein kinase MNK subfamily","AGC protein kinase GRK subfamily","STE protein kinase FRAY subfamily","STE protein kinase 
SLK subfamily","CAMK protein kinase NIM1 subfamily","STE protein kinase KHS subfamily","AGC protein kinase ROCK subfamily","CAMK protein kinase CHK1 subfamily","CMGC protein kinase TAIRE subfamily","T
KL protein kinase LZK subfamily","STE protein kinase NinaC subfamily","Other protein kinase Nek1","STE protein kinase PAKA subfamily","CMGC protein kinase ERK5","Atypical protein kinase RIO3 subfamily
","Other protein kinase PKR","CAMK protein kinase MELK subfamily","CMGC protein kinase CDK7 subfamily","CMGC protein kinase p38 subfamily","STE protein kinase TAO subfamily","CMGC protein kinase PFTAI
RE","Other protein kinase WEE1","Atypical protein kinase RIO2 subfamily","Other protein kinase Meta subfamily","Atypical protein kinase RIO1 subfamily","Other protein kinase GCN2 subfamily","Tyrosine 
protein kinase Srm","AGC protein kinase p70 subfamily","CMGC protein kinase Dyrk2 subfamily","CAMK protein kinase MAPKAPK subfamily","CK1 protein kinase CK1-g"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",
"CK1: Casein kinase 1","AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","Lipid modifying kinases",Atypical,"TK: Tyrosine kinase","Other protein kinases","R
CK family","STE20 family","TKL: Tyrosine kinase-like","Casein kinase 1 (CK1) family","STE7 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Protein kinase N (PKN
) family","CAMK-like (CAMKL) family","Myosin Light Chain Kinase (MLCK) family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","PDK1 family","SRPK family","NDR family","CAMK2
 family","RSK family","Death-associated kinase (DAPK) family","CAMK1 family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","STE11 family","SGK family","Cyclin-dependent ki
nase (CDK) family","Mitogen-activated protein kinases (MAP kinases)","DMPK family","Cyclin-dependent kinase-like (CDKL) family","CAMK-unique family","MAPK-Activated Protein Kinase (MAPKAPK) family","G
 protein-coupled receptor kinases (GRKs)","Protein kinase G (PKG) family","Protein kinase A (PKA) family","RIO family","CLK family","Testis specific kinase (TSSK) family","DCAMKL family","Phosphorylas
e kinase (PHK) family","YANK family","Protein kinase D (PKD) family","Receptor tyrosine kinases (RTKs)","Tousled-like kinase (TLK) family","MSN subfamily","Interleukin-1 receptor-associated kinase (IR
AK) family","STE20 subfamily","NKF4 family","HIPK subfamily","Non-receptor tyrosine kinases (nRTKs)","NuaK subfamily","Mixed Lineage Kinase (MLK) family","Numb-associated kinase (NAK) family","NKF1 fa
mily","Receptor serine/threonine kinase (RSTK) family","TTK family","PRP4 subfamily","Dyrk1 subfamily","AMPK subfamily","RSK subfamily","NAK family","MST subfamily","Receptor interacting protein kinas
e (RIPK) family","YSK subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","TAIRE subfamily","LKB subfamily","IRE family","JNK subfamily","MSK subfamily","PAKB subfamily","Unc-51-l
ike kinase (ULK) family","GEK subfamily","Aurora kinase (Aur) family","BRSK subfamily","Other DMPK family kinases","IKK family","ERK subfamily","QIK subfamily","MARK subfamily","MKN subfamily","Opsin/
rhodopsin kinases","FRAY subfamily","SLK subfamily","Other-unique family","NIM1 subfamily","GRK4 subfamily","KHS subfamily","Rho kinase","CHK1 subfamily","Leucine-rich repeat kinase (LRRK) family","Ni
naC subfamily","PAKA subfamily","RIO3 subfamily","PEK family","MELK subfamily","CDK7 subfamily","Casein kinase 2 (CK2) family","p38 subfamily","TAO subfamily","Polo-like kinase (PLK) family","WEE fami
ly","RIO2 subfamily","CAMKK family","Erk7 subfamily","CDK4 subfamily","RIO1 subfamily","HUNK subfamily","p70 subfamily","Dyrk2 subfamily","MAPKAPK subfamily","Type XI RTKs: TAM (TYRO3-","AXL- and MER-
TK) receptor family","Type II RTKs: Insulin receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Src family","TAK1 subfamily","Type V RTKs: FGF (fibroblast growth factor) receptor 
family","Type I receptor serine/threonine kinases","Type II receptor serine/threonine kinases","MLK subfamily","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XIX RTKs: Leukocyte t
yrosine kinase (LTK) receptor family","Type XIII RTKs: Ephrin receptor family","Abl family","Fer family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Tec family","Janus kinase (JakA)
 family","Type XVI RTKs: DDR (collagen receptor) family","Type XII RTKs: TIE family of angiopoietin receptors","Type XIV RTKs: RET","Syk family","Csk family","Type VII RTKs: Neurotrophin receptor/Trk 
family","LZK subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Ack family","Other PEK family kinases","Fak family","Meta subfamily","Type IX RTKs: MuSK","GCN2 subfa
mily"}

> <pathway_reactome>
{Hemostasis,"Signal Transduction",Disease,"Cellular responses to external stimuli","Immune System","Cell Cycle","Gene expression (Transcription)","Developmental Biology",Metabolism,"Neuronal System","
Vesicle-mediated transport","Programmed Cell Death","Transport of small molecules","Metabolism of proteins","Extracellular matrix organization","Circadian Clock","DNA Repair","Metabolism of RNA","Musc
le contraction","Organelle biogenesis and maintenance",Autophagy,"Cell surface interactions at the vascular wall","Intracellular signaling by second messengers","Diseases of signal transduction by gro
wth factor receptors and second messengers","Cellular responses to stress","Innate Immune System",Mitotic,"Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Infectious disease
","Signaling by Rho GTPases","Signaling by NODAL","Metabolism of lipids","Signaling by TGFB family members","Nervous system development","Signaling by Hippo","Signaling by GPCR","Transmission across C
hemical Synapses","Membrane Trafficking",Apoptosis,"Ion channel transport","Unfolded Protein Response (UPR)","Signaling by Hedgehog","Cytokine Signaling in Immune system","Non-integrin membrane-ECM in
teractions","MAPK family signaling cascades","Adaptive Immune System","DNA Double-Strand Break Repair","Signaling by Non-Receptor Tyrosine Kinases","Platelet homeostasis","rRNA processing","Cardiac co
nduction","Metabolism of carbohydrates","ECM proteoglycans","Cell Cycle Checkpoints","Cilium Assembly","MTOR signalling",Macroautophagy,"PIP3 activates AKT signaling","Signaling by KIT in disease","Ce
llular Senescence","Toll-like Receptor Cascades","Mitotic G2-G2/M phases","Signaling by NTRKs","Generic Transcription Pathway","HIV Infection","RHO GTPase Effectors","Signaling by FGFR","Regulation of
 signaling by NODAL","Phospholipid metabolism","Signaling by BMP","Signaling by MST1","Signaling by Insulin receptor","Axon guidance","Leishmania infection","Signaling by SCF-KIT","GPCR downstream sig
nalling","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by FGFR in disease","Clathrin-mediated endocytosis","Caspase activation via extrinsic apoptotic signalling pathway
","Apoptotic execution phase","Stimuli-sensing channels","IRE1alpha activates chaperones","Hedgehog 'on' state","Interferon Signaling","Fc epsilon receptor (FCERI) signaling","Signaling by Type 1 Insu
lin-like Growth Factor 1 Receptor (IGF1R)","Sphingolipid metabolism","Signaling by Interleukins","MAPK6/MAPK4 signaling","MAPK1/MAPK3 signaling","TCR signaling","M Phase","Oncogenic MAPK signaling","H
omology Directed Repair","Signaling by PTK6","trans-Golgi Network Vesicle Budding","Nitric oxide stimulates guanylate cyclase","Signaling by WNT in cancer","Signaling by VEGF","rRNA processing in the 
nucleus and cytosol","Influenza Infection","Regulation of mitotic cell cycle","Signaling by ERBB2","Mitotic G1 phase and G1/S transition","Ion homeostasis","Glycogen metabolism","Neutrophil degranulat
ion","G2/M Checkpoints","Response of EIF2AK4 (GCN2) to amino acid deficiency","Anchoring of the basal body to the plasma membrane","mTORC1-mediated signalling","Selective autophagy","Signaling by PDGF
R in disease","Negative regulation of the PI3K/AKT network","Drug resistance of KIT mutants","Oxidative Stress Induced Senescence","Toll Like Receptor 2 (TLR2) Cascade","G2/M Transition","Signaling by
 NTRK1 (TRKA)","Transcriptional Regulation by TP53","Host Interactions of HIV factors","RHO GTPases activate PKNs","Toll Like Receptor 4 (TLR4) Cascade","Signaling by FGFR4","PI Metabolism","Insulin r
eceptor signalling cascade","EPH-Ephrin signaling","Parasite infection","G alpha (q) signalling events","Activation of NMDA receptors and postsynaptic events","Semaphorin interactions","Toll Like Rece
ptor 5 (TLR5) Cascade","Signaling by FGFR3 in disease","Cargo recognition for clathrin-mediated endocytosis","Caspase activation via Dependence Receptors in the absence of ligand","Signaling by ROBO r
eceptors","Apoptotic cleavage of cellular proteins","Leishmania parasite growth and survival","L1CAM interactions","PTEN Regulation","Antiviral mechanism by IFN-stimulated genes","FCERI mediated Ca+2 
mobilization","Interferon alpha/beta signaling","RHO GTPases activate CIT","IGF1R signaling cascade","Sphingolipid de novo biosynthesis","Interleukin-1 family signaling","G alpha (i) signalling events
","RAF/MAP kinase cascade","RET signaling","Signaling by FGFR1 in disease","Generation of second messenger molecules","Mitotic Prophase","Signaling by RAS mutants","HDR through Homologous Recombinatio
n (HRR) or Single Strand Annealing (SSA)","PTK6 promotes HIF1A stabilization","Golgi Associated Vesicle Biogenesis","RHO GTPases activate PAKs","Mitotic Metaphase and Anaphase","cGMP effects","Transcr
iptional regulation by RUNX1","Signaling by AMER1 mutants","VEGFA-VEGFR2 Pathway","Major pathway of rRNA processing in the nucleolus and cytosol","NS1 Mediated Effects on Host Pathways","APC/C-mediate
d degradation of cell cycle proteins","HIV Life Cycle","VEGF ligand-receptor interactions","Downregulation of ERBB2 signaling","Interleukin-2 family signaling","G1 Phase","Glycogen breakdown (glycogen
olysis)","G2/M DNA damage checkpoint","Signaling by FGFR2 in disease","PTK6 Down-Regulation","G0 and Early G1","Signaling by NTRK3 (TRKC)","Transcriptional Regulation by VENTX",Mitophagy,"Drug resista
nce of PDGFR mutants",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Dasatinib-resistant KIT mutants","Toll Like Receptor TLR6:TLR2 Cascade","Centrosome maturation","Signalling to ERK5","Regulation
 of TP53 Activity","The role of Nef in HIV-1 replication and disease pathogenesis","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","MyD88-independent 
TLR4 cascade","Downstream signaling of activated FGFR4","Synthesis of PIPs at the plasma membrane","IRS-mediated signalling","EPHA-mediated growth cone collapse","EPHB-mediated forward signaling","Lei
shmania phagocytosis","Gastrin-CREB signalling pathway via PKC and MAPK","Post NMDA receptor activation events","Sema4D in semaphorin signaling","MyD88 cascade initiated on plasma membrane","Signaling
 by FGFR3 point mutants in cancer","Role of ABL in ROBO-SLIT signaling","CRMPs in Sema3A signaling","Anti-inflammatory response favouring Leishmania parasite infection","Signalling to ERKs","Recycling
 pathway of L1","Activation of RAC1","Regulation of PTEN stability and activity","ISG15 antiviral mechanism","Regulation of IFNA signaling","IRS-related events triggered by IGF1R","Interleukin-1 signa
ling","Visual phototransduction","FGFR1 mutant receptor activation","Nuclear Envelope Breakdown","Signaling downstream of RAS mutants","HDR through Homologous Recombination (HRR)","Activation of TRKA 
receptors","RAS processing","Mitotic Anaphase","RUNX1 regulates transcription of genes involved in BCR signaling","Truncations of AMER1 destabilize the destruction complex","VEGFR2 mediated cell proli
feration","Inhibition of PKR","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Late Phase of HIV Life Cycle","VEGF binds to VEGFR leading to receptor dimerization","Inte
rleukin-15 signaling","Interleukin-2 signaling","Cyclin D associated events in G1","Ephrin signaling","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","FGFR2 mutant receptor activation
","Activated NTRK3 signals through PI3K","Receptor Mediated Mitophagy","Imatinib-resistant PDGFR mutants","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Loss of proteins required for interph
ase microtubule organization from the centrosome","Regulation of TP53 Activity through Phosphorylation","Nef and signal transduction","TRIF(TICAM1)-mediated TLR4 signaling","FRS-mediated FGFR4 signali
ng","Regulation of TP53 Expression and Degradation","PI3K Cascade","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","CREB1 phosphorylation through NMDA receptor-mediated activation of 
RAS signaling","Sema4D mediated inhibition of cell attachment and migration","MAP kinase activation","FGFR3 mutant receptor activation","Activation of RAC1 downstream of NMDARs","Regulation of TP53 Ac
tivity through Acetylation","FCGR3A-mediated IL10 synthesis","Prolonged ERK activation events","The phototransduction cascade","Signaling by activated point mutants of FGFR1","Activation of NIMA Kinas
es NEK9",NEK6,NEK7,"Sema4D induced cell migration and growth-cone collapse","Homologous DNA Pairing and Strand Exchange","NGF-independant TRKA activation","Separation of Sister Chromatids","ADORA2B me
diated anti-inflammatory cytokines production","Signalling to RAS","APC/C:Cdc20 mediated degradation of mitotic proteins","Transcription of the HIV genome","Activation of AMPK downstream of NMDARs","A
ctivated point mutants of FGFR2","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Loss of Nlp from mitotic centrosomes","TRAF6-mediated induction of TA
K1 complex within TLR4 complex","Regulation of TP53 Degradation","Ras activation upon Ca2+ influx through NMDA receptor","MAPK targets/ Nuclear events mediated by MAP kinases","Signaling by activated 
point mutants of FGFR3","activated TAK1 mediates p38 MAPK activation","PI5P Regulates TP53 Acetylation","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Frs2-med
iated activation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon",Inactivation,"recovery and regulation of the phototransduction cascade","RSK activation","Presynaptic phase of homologous DNA p
airing and strand exchange","p38MAPK events","ARMS-mediated activation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","HIV Transcription Elo
ngation","IKK complex recruitment mediated by RIP1","Nef Mediated CD4 Down-regulation","CREB phosphorylation","Activation of the AP-1 family of transcription factors","ERK/MAPK targets","APC-Cdc20 med
iated degradation of Nek2A","Tat-mediated elongation of the HIV-1 transcript","ERKs are inactivated","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{KW-2449,KW2449,1000669-72-6,1000669726,"KW 2449",(E)-(4-(2-(1H-indazol-3-yl)vinyl)phenyl)(piperazin-1-yl)methanone,(E)(4(2(1Hindazol3yl)vinyl)phenyl)(piperazin1yl)methanone,UNII-2D9N67F58G,UNII2D9N67
F58G,CHEMBL1908397,(4-((E)-2-(1H-indazol-3-yl)ethenyl)phenyl)-piperazin-1-ylmethanone,(4((E)2(1Hindazol3yl)ethenyl)phenyl)piperazin1ylmethanone,2D9N67F58G,"897016-82-9 (free base)","897016829 (free ba
se)",841258-76-2,841258762,T2341,S2158}

> <pdid>
PD003499

> <targets>
{FLT-3,Flt,Bcr-Abl,"Aurora Kinase",Apoptosis,FGFR,FLT3}

> <classes>
{Apoptosis,Cell Cycle/DNA Damage,Epigenetics,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{11427553}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 36 39  0  0  0  0            999 V2000
   -6.5549   14.2435    0.0000 C   0  0
   -6.5458   12.7435    0.0000 N   0  0
   -5.2423   12.0014    0.0000 C   0  0
   -5.2332   10.5014    0.0000 C   0  0
   -6.5277    9.7436    0.0000 N   0  0
   -7.8313   10.4858    0.0000 C   0  0
   -7.8403   11.9857    0.0000 C   0  0
   -6.5187    8.2429    0.0000 C   0  0
   -5.2163    7.4985    0.0000 C   0  0
   -5.2097    5.9985    0.0000 C   0  0
   -6.5054    5.2428    0.0000 C   0  0
   -6.5018    3.7420    0.0000 N   0  0
   -7.7993    2.9876    0.0000 C   0  0
   -9.1021    3.7310    0.0000 N   0  0
  -10.3974    2.9744    0.0000 C   0  0
  -10.3898    1.4745    0.0000 C   0  0
  -11.6850    0.7179    0.0000 C   0  0
   -9.0870    0.7310    0.0000 C   0  0
   -9.0763   -0.7698    0.0000 N   0  0
   -7.7717   -1.5117    0.0000 C   0  0
   -7.7589   -3.0117    0.0000 C   0  0
   -6.4535   -3.7506    0.0000 C   0  0
   -5.1609   -2.9896    0.0000 C   0  0
   -5.1737   -1.4897    0.0000 C   0  0
   -6.4790   -0.7508    0.0000 C   0  0
   -3.8804   -0.7282    0.0000 S   0  0
   -3.8936    0.7717    0.0000 O   0  0
   -2.5881    0.0334    0.0000 O   0  0
   -2.5738   -1.4667    0.0000 N   0  0
   -1.2805   -0.7053    0.0000 C   0  0
    0.0254   -1.4434    0.0000 C   0  0
   -1.2937    0.7947    0.0000 C   0  0
    0.0118    0.0563    0.0000 C   0  0
   -7.7918    1.4876    0.0000 N   0  0
   -7.8077    5.9870    0.0000 C   0  0
   -7.8144    7.4870    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 24 26  1  0
 26 27  2  0
 26 28  2  0
 26 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
 18 34  2  0
 34 13  1  0
 11 35  1  0
 35 36  2  0
 36  8  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15721

> <plate>
PLATE 006

> <well>
C7

> <supplier_cmpd_name>
TG101209

> <ctcr_id>
5042

> <supplier_cmpd_id>
T3065

> <smiles>
CN1CCN(CC1)c2ccc(Nc3ncc(C)c(Nc4cccc(c4)[S](=O)(=O)NC(C)(C)C)n3)cc2

> <pd_targets>
{BRDT,BRD4,FLT3,JAK2,WEE1,ALK}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Kinase,Bromodomain,"Protein Kinase","TK protein kinase group","Other protein kinase group","TKL protein kinase group","Tyrosine protein kinase PDGFR family","Tyro
sine protein kinase JakA family","Other protein kinase WEE family","TKL protein kinase STKR family","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,"Bromodomain-containing proteins","Chromatin modifying enzymes","Catalytic receptors","Non-enzymatic BRD containing proteins","Enzymatic bromodomain-containi
ng proteins","Receptor kinases","Bromodomain kinase (BRDK) family","TK: Tyrosine kinase","Other protein kinases","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","WEE family"
,"Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Janus kinase (JakA) family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Cell Cycle","Infectious disease","Signaling by Receptor Tyrosine Kinases",Mitotic,"Cell Cycle Checkpoints","SARS-CoV Infections","Signaling by Insulin receptor","Mitoti
c G1 phase and G1/S transition","G2/M Checkpoints","Potential therapeutics for SARS","Insulin receptor signalling cascade","G1 Phase","G2/M DNA damage checkpoint","IRS-mediated signalling","Cyclin D a
ssociated events in G1","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","PI3K Cascade"}

> <broad_targets>
{JAK2,JAK3}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{TG101209,936091-14-4,936091144,TG-101209,"TG 101209",CHEBI:90304,C26H35N7O2S,1M3,Kinome_702,Kinome702,Kinome-702,"Kinome 702",cc-108,cc108,MLS006011064,SCHEMBL265061,CHEMBL1995703,AMY9224,DTXSID80587
364,SYN1103,BDBM192755,HMS3656B15,AOB87369,BCP02514,EX-A1753,EXA1753,ABP000835,MFCD15528085,s2692,ZINC635398,T3065,SY-TG101209,S2692}

> <pdid>
PD010884

> <targets>
{JAK,Flt,JAK2,FLT3,c-RET,Apoptosis,Autophagy,RET}

> <classes>
{JAK/STAT,Apoptosis,Autophagy,Epigenetics,JAK/STAT Signaling,Protein Tyrosine Kinase/RTK,Stem Cell/Wnt}

> <pubchem_cids>
{16722832}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 32  0  0  0  0            999 V2000
    6.8970   -5.5078    0.0000 O   0  0
    6.5365   -4.0517    0.0000 C   0  0
    7.6181   -3.0113    0.0000 N   0  0
    9.0603   -3.4268    0.0000 C   0  0
   10.4292   -3.0435    0.0000 C   0  0
   10.0108   -4.4839    0.0000 C   0  0
    5.0944   -3.6362    0.0000 N   0  0
    4.0146   -4.6747    0.0000 C   0  0
    4.2107   -6.1619    0.0000 C   0  0
    2.8570   -6.8080    0.0000 N   0  0
    1.8242   -5.7201    0.0000 N   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 O   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  4  1  0
  2  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12  8  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 17 25  2  0
 25 26  1  0
 26 27  2  0
 27 15  1  0
 27 28  1  0
 28 13  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15722

> <plate>
PLATE 006

> <well>
C8

> <supplier_cmpd_name>
AT9283

> <ctcr_id>
11442

> <supplier_cmpd_id>
T3068

> <smiles>
O=C(NC1CC1)Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BDBM27087,J-504568,J504568,GTPL7949,SCHEMBL15005492,SCHEMBL15005494,AT9283,896466-04-9,896466049,AT-9283,"AT 9283",UNII-XAV9KYN9WL,UNIIXAV9KYN9WL,"AT-9283 free base","AT9283 free base",XAV9KYN9WL,CHE
MBL495727,"896466-04-9 (free base)","896466049 (free base)","AT 9283, (2S)-2-hydroxy-propanoic acid salt","AT 9283, (2S)2hydroxypropanoic acid salt",C19H23N7O2,896466-7,8964667,T3068}

> <pdid>

> <targets>
{"Aurora | FLT-3 | JAK | Src-bcr-Abl","Aurora A","Aurora B","Abl1 (T315I)",JAK2,JAK3}

> <classes>
{Angiogenesis,"Cell Cycle/Checkpoint",Chromatin/Epigenetic,"Cytoskeletal Signaling","JAK/STAT signaling","Stem Cells"}

> <pubchem_cids>
{135398495}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 21 23  0  0  1  0            999 V2000
    3.8623   -0.7303    0.0000 F   0  0
    2.5636    0.0202    0.0000 C   0  0
    3.8630    0.7695    0.0000 F   0  0
    2.5646    1.5202    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 Cl  0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2641   -2.2299    0.0000 C   0  0
    1.2655   -3.7307    0.0000 C   0  0
    1.2669   -5.2315    0.0000 C   0  0
    0.5181   -6.4397    0.0000 C   0  0
    2.0181   -6.4383    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16  5  1  0
 16 10  1  0
  5 17  1  1
 17 18  3  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 19  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15723

> <plate>
PLATE 006

> <well>
C9

> <supplier_cmpd_name>
Efavirenz

> <ctcr_id>
1315

> <supplier_cmpd_id>
T2393

> <smiles>
FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC3CC3

> <pd_targets>
{"REVERSE TRANSCRIPTASE",POL,FTL,MAPK1,NPSR1,RORC,CYP3A4,MAPT,ENV}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor","Transcription factor","Other cytosolic protein","Surface antigen",Hydrolase,Kinase,"Family A G protein-coupled receptor","Nuclear receptor","Cytochr
ome P450","Protein Kinase","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","CMGC protein kinase group","Short peptide receptor (family A GPCR)","Nu
clear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","CMGC protein kinase MAPK family","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P4
50 3A4","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","G protein-coupled receptors","Nuclear hormone receptors","Cytochrome P450","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Neuropeptide S receptor","1F. Ret
inoic acid-related orphans","CYP3 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Vesicle-mediated transport","Immune System",Disease,"Gene expression (Transcription)",Metabolism,"Neuronal System","Membrane Trafficking","Innate Immune System","Infectious disease","RNA Polymerase 
II Transcription","Metabolism of lipids","Transmission across Chemical Synapses","trans-Golgi Network Vesicle Budding","Toll-like Receptor Cascades","Leishmania infection","Generic Transcription Pathw
ay","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Golgi Associated Vesicle Biogenesis","Toll Like Receptor 5 (TLR5) Cas
cade","Leishmania parasite growth and survival","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","MyD88 cascade initiated
 on plasma membrane","Anti-inflammatory response favouring Leishmania parasite infection","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Post NMDA receptor activation
 events","MAP kinase activation","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","MAPK targets/ Nuclear events m
ediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CYP1A2,CYP2B6,CYP2C19,CYP2C9,CYP2D6,CYP3A4}

> <broad_moa>
{"HIV protease inhibitor"}

> <synonyms>
{efavirenz,154598-52-4,154598524,Sustiva,Stocrin,DMP-266,DMP266,"DMP 266",EFV,(Rac)-Efavirenz,(Rac)Efavirenz,"L-743,726","L743,726",UNII-JE6H2O27P8,UNIIJE6H2O27P8,L-743726,L743726,JE6H2O27P8,CHEBI:119
486,MFCD05662344,NSC742403,DSSTox_CID_26029,DSSToxCID26029,DSSTox-CID-26029,"DSSTox CID 26029",DSSTox_RID_81298,DSSToxRID81298,DSSTox-RID-81298,"DSSTox RID 81298",DSSTox_GSID_46029,DSSToxGSID46029,DSS
Tox-GSID-46029,"DSSTox GSID 46029","(Rac)-DMP 266; (Rac)-EFV; (Rac)-","(Rac)DMP 266; (Rac)EFV; (Rac)",T2393,SAM001246667,Prestw-1400,Efavirenz,CPD000466351}

> <pdid>
PD003010

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{64139}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 21 24  0  0  0  0            999 V2000
    3.8805   -1.4410    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1519   -3.7888    0.0000 C   0  0
   -2.7878   -2.4303    0.0000 O   0  0
   -2.8673   -5.1072    0.0000 N   0  0
   -1.8349   -6.1943    0.0000 C   0  0
   -0.4812   -5.5482    0.0000 C   0  0
    0.7552   -6.3975    0.0000 C   0  0
    0.6379   -7.8929    0.0000 C   0  0
   -0.7159   -8.5390    0.0000 C   0  0
   -1.9522   -7.6897    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
  9 20  1  0
 20  2  1  0
 20 21  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15724

> <plate>
PLATE 006

> <well>
C10

> <supplier_cmpd_name>
Methylisoindigotin

> <ctcr_id>
11443

> <supplier_cmpd_id>
T1882

> <smiles>
CN1c2ccccc2/C(=C/2\C(=O)Nc3c2cccc3)/C1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{STAT3}

> <broad_moa>
{"STAT inhibitor"}

> <synonyms>
{Meisoindigo,97207-47-1,97207471,Methylisoindigotin,UNII-92UIP6405R,UNII92UIP6405R,(3E)-1-methyl-3-(2-oxo-1H-indol-3-ylidene)indol-2-one,(3E)1methyl3(2oxo1Hindol3ylidene)indol2one,N-Methylisoindigotin
,NMethylisoindigotin,92UIP6405R,"Dian III","Dian III;N-Methylisoindigotin;Natura-alpha","Dian III;NMethylisoindigotin;Naturaalpha",1416052-36-2,1416052362,(E)-1,(E)1,1'-dimethyl-(3,1'dimethyl(3,3,T188
2}

> <pdid>
PD017547

> <targets>
{"Apoptosis inducer"}

> <classes>
{Apoptosis}

> <pubchem_cids>
{126274}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 S   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
  -11.6975    3.7386    0.0000 N   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15725

> <plate>
PLATE 006

> <well>
C11

> <supplier_cmpd_name>
Tenovin-3

> <ctcr_id>
11444

> <supplier_cmpd_id>
T1873

> <smiles>
CC(C)(C)c1ccc(cc1)C(=O)NC(=S)Nc1ccc(N)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ENOVIN,Tenovin-3,Tenovin3,1011301-27-1,1011301271,QC-514,QC514,1-(4-Amino-phenyl)-3-(4-tert-butyl-benzoyl)-thiourea,1(4Aminophenyl)3(4tertbutylbenzoyl)thiourea,N-((4-aminophenyl)carbamothioyl)-4-(ter
t-butyl)benzamide,N((4aminophenyl)carbamothioyl)4(tertbutyl)benzamide,"Benzamide, N-(((4-aminophenyl)amino)thioxomethyl)-4-(1,1-dimethylethyl)-","Benzamide, N(((4aminophenyl)amino)thioxomethyl)4(1,1di
methylethyl)",N-((4-aminophenyl)carbamothioy,N((4aminophenyl)carbamothioy,T1873}

> <pdid>
PD018611

> <targets>
{SIRT2}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair"}

> <pubchem_cids>
{24772097}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.9511   -0.8815    0.0000 C   0  0
   -4.9530   -1.9978    0.0000 C   0  0
   -4.2010   -3.2957    0.0000 C   0  0
   -2.7343   -2.9815    0.0000 O   0  0
   -4.8053   -4.6666    0.0000 C   0  0
   -6.2966   -4.8284    0.0000 O   0  0
   -3.9195   -5.8781    0.0000 N   0  0
   -4.5249   -7.2514    0.0000 C   0  0
   -3.6413   -8.4636    0.0000 C   0  0
   -4.2492   -9.8349    0.0000 C   0  0
   -5.7407   -9.9941    0.0000 C   0  0
   -6.3517  -11.3650    0.0000 C   0  0
   -7.8443  -11.5221    0.0000 N   0  0
   -8.4570  -12.8913    0.0000 C   0  0
   -9.9491  -13.0454    0.0000 C   0  0
  -10.8285  -11.8303    0.0000 O   0  0
  -10.2159  -10.4611    0.0000 C   0  0
   -8.7239  -10.3070    0.0000 C   0  0
   -6.6244   -8.7820    0.0000 C   0  0
   -6.0165   -7.4107    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  8  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 19 27  1  0
 27 28  2  0
 28 16  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15726

> <plate>
PLATE 006

> <well>
D2

> <supplier_cmpd_name>
CID-2011756

> <ctcr_id>
11445

> <supplier_cmpd_id>
T1863

> <smiles>
Clc1cccc(c1)c1ccc(o1)C(=O)Nc1ccc(CN2CCOCC2)cc1

> <pd_targets>
{HPGD,L3MBTL1,ALDH1A1,ARFGAP1,KMT2A,MEN1,FTL,PRKD1,HSD17B10,TSHR,MAPK1,MAPT,LEF,AMPC}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein",Protease,Reader,Oxidoreductase,Kinase,"Cysteine protease","Methyl-lysine/arginine binding protein",Bromodomain,"Protein Kinase","Cysteine protease
 CA clan","MBT domain","CAMK protein kinase group","Cysteine protease C1A family","CAMK protein kinase PKD family","Membrane receptor","Other cytosolic protein","Family A G protein-coupled receptor",H
ydrolase,"Peptide receptor (family A GPCR)","Metallo protease","Glycohormone receptor","CMGC protein kinase group","Metallo protease MAE clan","CMGC protein kinase MAPK family","Metallo protease M34 f
amily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Kinases (EC 2.7.x.x)","Prostaglandin synthases","CAMK: Calcium/calmodulin-dependent protein kinases","Protein kinase D (PKD) family",Receptors,"G protein-coupled recept
ors","Glycoprotein hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Vesicle-mediated transport","Metabolism of lipids","RNA Polymerase II Transcription","Biological oxidations","Membrane Trafficking","Biosynthesis of spec
ialized proresolving mediators (SPMs)","Generic Transcription Pathway","Phase I - Functionalization of compounds","trans-Golgi Network Vesicle Budding","Sphingolipid metabolism","Biosynthesis of DHA-d
erived SPMs","Transcriptional Regulation by TP53","Ethanol oxidation","Golgi Associated Vesicle Biogenesis","Sphingolipid de novo biosynthesis","Biosynthesis of D-series resolvins","Regulation of TP53
 Activity","Regulation of TP53 Activity through Methylation",Disease,"Immune System","Neuronal System","Metabolism of amino acids and derivatives","Infectious disease","Innate Immune System","Transmis
sion across Chemical Synapses","Branched-chain amino acid catabolism","Leishmania infection","Toll-like Receptor Cascades","Neurotransmitter receptors and postsynaptic signal transmission","Uptake and
 actions of bacterial toxins","Leishmania parasite growth and survival","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic events","Uptake and function of anthrax tox
ins","Anti-inflammatory response favouring Leishmania parasite infection","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","ADORA2B mediated anti-inflammatory cytoki
nes production","MAP kinase activation","Activation of AMPK downstream of NMDARs","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{PKD1}

> <broad_moa>
{"protein kinase inhibitor"}

> <synonyms>
{ID201175,638156-11-3,638156113,CID-2011756,CID2011756,"CID 2011756",5-(3-chlorophenyl)-N-(4-(morpholinomethyl)phenyl)furan-2-carboxamide,5(3chlorophenyl)N(4(morpholinomethyl)phenyl)furan2carboxamide,
5-(3-chlorophenyl)-N-(4-(morpholin-4-ylmethyl)phenyl)furan-2-carboxamide,5(3chlorophenyl)N(4(morpholin4ylmethyl)phenyl)furan2carboxamide,MLS000557592,5-(3-Chlorophenyl)-N-(4-(morpholinometh,5(3Chlorop
henyl)N(4(morpholinometh,T1863}

> <pdid>
PD012863

> <targets>
{PKD}

> <classes>
{Apoptosis}

> <pubchem_cids>
{2011756}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 30  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.6003    1.4978    0.0000 C   0  0
    3.8990    0.7455    0.0000 C   0  0
    5.2003    1.4932    0.0000 C   0  0
    5.2029    2.9932    0.0000 C   0  0
    6.4990    0.7410    0.0000 C   0  0
    7.8003    1.4887    0.0000 C   0  0
    9.0990    0.7365    0.0000 C   0  0
   10.4003    1.4842    0.0000 C   0  0
   10.4029    2.9842    0.0000 C   0  0
   11.6989    0.7320    0.0000 C   0  0
   13.0002    1.4797    0.0000 C   0  0
   13.0028    2.9797    0.0000 O   0  0
   14.2989    0.7275    0.0000 N   0  0
   15.6002    1.4752    0.0000 C   0  0
   16.8993    0.7252    0.0000 C   0  0
   18.1984    1.4752    0.0000 C   0  0
   18.1984    2.9752    0.0000 C   0  0
   19.4974    3.7252    0.0000 O   0  0
   16.8994    3.7252    0.0000 C   0  0
   15.6003    2.9753    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    1.3164    2.2191    0.0000 C   0  0
   -1.3163    2.2193    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
  3 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15727

> <plate>
PLATE 006

> <well>
D3

> <supplier_cmpd_name>
Fenretinide

> <ctcr_id>
7641

> <supplier_cmpd_id>
T1872

> <smiles>
CC1=C(\C=C\C(C)=C\C=C\C(C)=C\C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1

> <pd_targets>
{KDM4E,MAPT,KMT2A,MEN1,LEF,THPO,HSD17B10,RBP4,PMP22,MAPK1,BLM,LMNA,ALDH1A1,FFP,TP53,GMNN,FTL,HTT,RORC,CYP3A4,NFKB1,NS1,HPGD,ALOX15,HIF1A,IDO2,MTOR,IDO1}

> <pathway_gtopdb>
{"Epigenetic regulator","Other cytosolic protein",Enzyme,"Unclassified protein","Secreted protein","Other nuclear protein","Transcription factor",Eraser,Reader,Protease,Oxidoreductase,Kinase,Transfera
se,"Nuclear receptor","Cytochrome P450","Lysine demethylase",Bromodomain,"Metallo protease","Protein Kinase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Cysteine protease","Jumo
nji domain-containing","Metallo protease MAE clan","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Cysteine protease CA clan","Atypical protein 
kinase group","Metallo protease M34 family","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cysteine protease C1A family","Atypical pro
tein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,"Chromatin modifying enzymes","Fatty acid-binding proteins","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Cytochrome P450","Eicosanoid turnover","1.13.
11.- Dioxygenases","1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphans","CYP3 family","Prostaglandin synthases",Lipoxygenases,Atypical,"
Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{"Neuronal System",Disease,Hemostasis,Metabolism,"Signal Transduction","Developmental Biology","Immune System","DNA Repair","Cell Cycle","Vesicle-mediated transport","Gene expression (Transcription)",
"Cellular responses to external stimuli","Transmission across Chemical Synapses","Infectious disease","Platelet activation","signaling and aggregation","Metabolism of amino acids and derivatives","Sig
naling by GPCR","Nervous system development","Innate Immune System","DNA Double-Strand Break Repair",Mitotic,"Biological oxidations","Cell Cycle Checkpoints","Membrane Trafficking","RNA Polymerase II 
Transcription","Metabolism of lipids","Cytokine Signaling in Immune system","Cellular responses to stress","Neurotransmitter receptors and postsynaptic signal transmission","Uptake and actions of bact
erial toxins","Platelet Aggregation (Plug Formation)","Branched-chain amino acid catabolism","GPCR downstream signalling","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Toll-like Re
ceptor Cascades","Homology Directed Repair","M Phase","Phase I - Functionalization of compounds","G1/S DNA Damage Checkpoints","Mitotic G1 phase and G1/S transition","trans-Golgi Network Vesicle Buddi
ng","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by Interleukins","Cellular response to hypoxia","Tryptophan catabolism","Activation of NMDA r
eceptors and postsynaptic events","Uptake and function of anthrax toxins","G alpha (i) signalling events","Toll Like Receptor 5 (TLR5) Cascade","HDR through Homologous Recombination (HRR) or Single St
rand Annealing (SSA)","Mitotic Metaphase and Anaphase","Ethanol oxidation","p53-Dependent G1/S DNA damage checkpoint","G1/S Transition","Golgi Associated Vesicle Biogenesis","Transcriptional Regulatio
n by MECP2","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Interleukin-1 family signaling","Biosynthesis of DPA-derived SPMs","Oxygen-dependent proline hydroxylation of Hypo
xia-inducible Factor Alpha","Transcriptional Regulation by TP53","Post NMDA receptor activation events","Visual phototransduction","MyD88 cascade initiated on plasma membrane","HDR through Homologous 
Recombination (HRR)","Mitotic Anaphase","p53-Dependent G1 DNA Damage Response","Activation of the pre-replicative complex","Regulation of MECP2 expression and activity","RUNX3 Regulates Immune Respons
e and Cell Migration","Biosynthesis of maresins","Interleukin-1 signaling","Biosynthesis of D-series resolvins","Biosynthesis of DPAn-3 SPMs","Regulation of TP53 Activity","Activation of AMPK downstre
am of NMDARs","The canonical retinoid cycle in rods (twilight vision)","MAP kinase activation","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","Stabilization of p53","B
iosynthesis of maresin-like SPMs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived protectins and resolvins","Regulation of TP53 Expression and Degradation","MAPK targets/ 
Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase 
COP1","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{RARA}

> <broad_moa>
{"apoptosis stimulant","retinoid receptor agonist"}

> <synonyms>
{FENRETINIDE,65646-68-6,65646686,N-(4-Hydroxyphenyl)retinamide,N(4Hydroxyphenyl)retinamide,4-HPR,4HPR,4-hydroxyphenylretinamide,4hydroxyphenylretinamide,"4-Hydroxyphenyl retinamide","4Hydroxyphenyl re
tinamide","Retinoic acid p-hydroxyanilide","Retinoic acid phydroxyanilide",all-trans-4'-Hydroxyretinanilide,alltrans4'Hydroxyretinanilide,Fenretinida,Fenretinidum,McN-R-1967,McNR1967,4-hydroxy(phenyl)
retinamide,4hydroxy(phenyl)retinamide,T1872,nan,Fenretinide}

> <pdid>
PD002707

> <targets>
{RAR (pan) Agonist,Autophagy,RAR/RXR}

> <classes>
{Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5288209}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.1517    0.8676    0.0000 S   0  0
  -10.1554    1.9823    0.0000 C   0  0
   -9.4054    3.2814    0.0000 C   0  0
   -7.9382    2.9695    0.0000 N   0  0
  -11.6458    1.8288    0.0000 N   0  3
  -12.2583    0.4596    0.0000 O   0  5
  -12.5257    3.0436    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 12  2  0
 14 17  1  0
 17 18  1  0
 17 19  2  0
  6 20  1  0
 20 21  2  0
 21  3  1  0
M  CHG  2  17   1  18  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15728

> <plate>
PLATE 006

> <well>
D4

> <supplier_cmpd_name>
AR-A014418

> <ctcr_id>
3645

> <supplier_cmpd_id>
T1881

> <smiles>
COc1ccc(CNC(=O)Nc2sc(cn2)[N+]([O-])=O)cc1

> <pd_targets>
{AURKB,GSK3B,CDK2,CDK5,GSK3A,ATG4B,RPS6KB1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","CMGC protein kinase group","AGC protein kinase group","Other protein kinase AUR family","CMGC protein kinase GSK family","CMGC protein kin
ase CDK family","AGC protein kinase RSK family","CMGC protein kinase CDC2 subfamily","CMGC protein kinase CDK5 subfamily","AGC protein kinase p70 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Peptidases and proteinases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CA: Cysteine (C) Peptidases","AGC: Cont
aining PKA",PKG,"PKC families","Other protein kinases","Glycogen synthase kinase (GSK) family","Cyclin-dependent kinase (CDK) family","C54: Aut2 peptidase","RSK family","Aurora kinase (Aur) family","G
SK subfamily","CDK1 subfamily","CDK5 subfamily","p70 subfamily"}

> <pathway_reactome>
{"Cell Cycle",Disease,"Gene expression (Transcription)",Autophagy,"Signal Transduction",Mitotic,"Infectious disease","RNA Polymerase II Transcription",Macroautophagy,"MTOR signalling","M Phase","SARS-
CoV Infections","Generic Transcription Pathway","mTORC1-mediated signalling","Mitotic Metaphase and Anaphase","SARS-CoV-1 Infection","Transcriptional Regulation by TP53","Mitotic Anaphase","SARS-CoV-1
 Genome Replication and Transcription","Regulation of TP53 Activity","Separation of Sister Chromatids","Replication of the SARS-CoV-1 genome","Regulation of TP53 Expression and Degradation","Regulatio
n of TP53 Activity through Phosphorylation","Regulation of TP53 Degradation"}

> <broad_targets>
{GSK3B}

> <broad_moa>
{"glycogen synthase kinase inhibitor"}

> <synonyms>
{"SK3?? INHIBITOR VII",AR-A014418,ARA014418,487021-52-3,487021523,"GSK-3beta Inhibitor VIII","GSK3beta Inhibitor VIII","N-(4-METHOXYBENZYL)-N'-(5-NITRO-1,3-THIAZOL-2-YL)UREA","N(4METHOXYBENZYL)N'(5NIT
RO1,3THIAZOL2YL)UREA",1-(4-methoxybenzyl)-3-(5-nitrothiazol-2-yl)urea,1(4methoxybenzyl)3(5nitrothiazol2yl)urea,"1-((4-methoxyphenyl)methyl)-3-(5-nitro-1,3-thiazol-2-yl)urea","1((4methoxyphenyl)methyl)
3(5nitro1,3thiazol2yl)urea",AR-AO-14418,ARAO14418,T1881,"EMD 361549",S7435,361549,"AR-A 014418"}

> <pdid>
PD008274

> <targets>
{GSK-3}

> <classes>
{}

> <pubchem_cids>
{448014}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 S   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.1970   -0.0064    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 S   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6040   -4.4975    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  3  0
  6 10  1  0
 10 11  2  0
 11  2  1  0
 11 12  1  0
 12 13  1  0
 13 14  3  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15729

> <plate>
PLATE 006

> <well>
D5

> <supplier_cmpd_name>
PR-619

> <ctcr_id>
11446

> <supplier_cmpd_id>
T1862

> <smiles>
Nc1nc(N)c(SC#N)cc1SC#N

> <pd_targets>
{REP}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{"Other protein targets","Anti-infective targets","Viral protein targets","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","SARS-CoV-2 Infection","SARS-CoV-2 Genome Replication and Transcription","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
{}

> <broad_moa>
{"DUB inhibitor"}

> <synonyms>
{R61,PR-619,PR619,2645-32-1,2645321,"3,5-dithiocyanatopyridine-2,6-diamine","3,5dithiocyanatopyridine2,6diamine","PR 619","(2,6-diamino-5-thiocyanatopyridin-3-yl) thiocyanate","(2,6diamino5thiocyanato
pyridin3yl) thiocyanate","2,6-Diamino-3,5-dithiocyanopyridine","2,6Diamino3,5dithiocyanopyridine","Thiocyanic acid, 2,6-diamino-3,5-pyridinediyl ester","Thiocyanic acid, 2,6diamino3,5pyridinediyl este
r","Thiocyanic acid",C,C'-(2,C'(2,6-diamino-,6diamino,T1862}

> <pdid>
PD010608

> <targets>
{JOSD2,SENP6 core,UCH-L3,USP4,USP8,Apoptosis,Autophagy,Deubiquitinase}

> <classes>
{Ubiquitination,Apoptosis,Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{2817763}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    9.6933   -4.1283    0.0000 C   0  0
    8.8153   -2.9121    0.0000 C   0  0
    7.3222   -3.0635    0.0000 N   0  0
    6.4437   -1.8466    0.0000 C   0  0
    7.0583   -0.4784    0.0000 O   0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    2.7343   -2.9815    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3032    3.7490    0.0000 C   0  0
   -1.2947    3.7531    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    5.5263    4.9023    0.0000 C   0  0
    6.9849    5.2556    0.0000 N   0  0
    7.4111    6.6938    0.0000 C   0  0
    8.8697    7.0439    0.0000 C   0  0
    9.9022    5.9558    0.0000 O   0  0
    9.4761    4.5176    0.0000 C   0  0
    8.0175    4.1675    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.7171    0.9385    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 12 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 10  1  0
 19 20  1  0
  9 21  2  0
 21  6  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 27  1  0
 25 33  1  0
 33 34  2  0
 34 22  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15730

> <plate>
PLATE 006

> <well>
D6

> <supplier_cmpd_name>
Luminespib

> <ctcr_id>
1991

> <supplier_cmpd_id>
T1989

> <smiles>
CCNC(=O)c1noc(c2cc(C(C)C)c(O)cc2O)c1c3ccc(CN4CCOCC4)cc3

> <pd_targets>
{HSP90AA1,HSP90AB1,TRAP1,HSP90B1,CCKA}

> <pathway_gtopdb>
{"Other cytosolic protein","Other membrane protein","Unclassified protein"}

> <pathway_chembl>
{"Other protein targets","Heat shock proteins"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Immune System",Mitotic,"The citric acid (TCA) cycle and respiratory electron transport","Cytokine Signaling in Immune system","Mitotic G2-G2/M phases","Respiratory electron t
ransport","ATP synthesis by chemiosmotic coupling","and heat production by uncoupling proteins.","Signaling by Interleukins","G2/M Transition","Interleukin-4 and Interleukin-13 signaling","The role of
 GTSE1 in G2/M progression after G2 checkpoint","Centrosome maturation","Loss of proteins required for interphase microtubule organization from the centrosome","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
{HSP90AA1,HSP90AB1}

> <broad_moa>
{"HSP inhibitor"}

> <synonyms>
{"Luminespib; NVP-AUY922","Luminespib; NVPAUY922",Luminespib,NVP-AUY922,NVPAUY922,747412-49-3,747412493,VER-52296,VER52296,AUY-922,AUY922,"Luminespib (AUY-922, NVP-AUY922)","Luminespib (AUY922, NVPAUY
922)","AUY922 (NVP-AUY922)","AUY922 (NVPAUY922)",UNII-C6V1DAR5EB,UNIIC6V1DAR5EB,"VER 52296","Luminespib (NVP-AUY922)","Luminespib (NVPAUY922)","NVP-AUY 922","NVPAUY 922",C6V1DAR5EB,"Luminespib (AUY-92
2 )","Luminespib (AUY922 )",CHEMBL390079,T1989,S1069}

> <pdid>
PD011154

> <targets>
{HSP,HSP (e.g. HSP90),Apoptosis,Autophagy}

> <classes>
{Cytoskeletal Signaling,Apoptosis,Autophagy,Cell Cycle/DNA Damage,Metabolic Enzyme/Protease}

> <pubchem_cids>
{135539077}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    7.7938   -3.0046    0.0000 C   0  0
    6.4946   -3.7543    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 N   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8888   -5.2533    0.0000 N   0  0
    2.5868   -5.9998    0.0000 S   0  0
    1.2903   -5.2455    0.0000 O   0  0
    2.5916   -4.4998    0.0000 O   0  0
    2.5814   -7.5006    0.0000 C   0  0
    3.8777   -8.2554    0.0000 C   0  0
    3.8722   -9.7553    0.0000 C   0  0
    2.5704  -10.5006    0.0000 C   0  0
    2.5650  -12.0006    0.0000 F   0  0
    1.2741   -9.7459    0.0000 C   0  0
    1.2796   -8.2459    0.0000 C   0  0
   -0.0167   -7.4912    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0008    0.0000 C   0  0
   -3.8959   -3.7529    0.0000 C   0  0
   -3.8935   -5.2529    0.0000 C   0  0
   -2.5933   -6.0009    0.0000 N   0  0
   -1.2954   -5.2488    0.0000 N   0  0
   -1.2978   -3.7488    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
 19 20  1  0
  6 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 29  1  0
 28 35  1  0
 35 24  1  0
 35 36  2  0
 36 21  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15731

> <plate>
PLATE 006

> <well>
D7

> <supplier_cmpd_name>
Omipalisib

> <ctcr_id>
4432

> <supplier_cmpd_id>
T1861

> <smiles>
COc1ncc(cc1NS(=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(c5ccnnc5)c4c3

> <pd_targets>
{PIK3CG,PIK3CD,PIK3CB,PIK3CA,MTOR,PIK3R1,MLST8,RPTOR,PIK3R2,PIK3R3,PIK3R5}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfami
ly"}

> <pathway_reactome>
{Metabolism,"Immune System","Signal Transduction",Disease,"Gene expression (Transcription)","Metabolism of lipids","Cytokine Signaling in Immune system","Signaling by Receptor Tyrosine Kinases","Disea
ses of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Phospholipid metabolism","Signaling by Interleukins","Signaling by Insulin receptor","Si
gnaling by FGFR in disease","Generic Transcription Pathway","PI Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Insulin receptor signalling cascade","Signaling by FGFR1 in disease","Tr
anscriptional Regulation by TP53","Synthesis of PIPs at the plasma membrane","Interleukin receptor SHC signaling","IRS-mediated signalling","FGFR1 mutant receptor activation","Regulation of TP53 Activ
ity","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR,PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"mTOR inhibitor","PI3K inhibitor"}

> <synonyms>
{"SK2126458 (HYR582",GSK-212,GSK212,"Omipalisib (USAN:INN)","GSK 212",PubChem22430,"Omipalisib (USAN/INN)",cc-65,cc65,MLS006011258,"Omipalisib; GSK2126458",SCHEMBL623194,GTPL8974,CHEMBL1236962,CHEBI:9
5093,DTXSID10148604,EX-A003,EXA003,GSK-458,GSK458,SYN1126,3l08,HMS3656D09,AOB87,T1861,SY-GSK2126458,S2658,Omipalisib,"GSK2126458  (HYR-582)","GSK2126458 (GSK458)"}

> <pdid>
PD010901

> <targets>
{PI3K,mTOR,Autophagy}

> <classes>
{PI3K/Akt/mTOR,Autophagy}

> <pubchem_cids>
{25167777}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    7.7928   -6.0048    0.0000 C   0  0
    9.0914   -5.2526    0.0000 N   0  0
   10.3927   -6.0004    0.0000 C   0  0
   11.6918   -5.2504    0.0000 C   0  0
   12.9909   -6.0004    0.0000 C   0  0
   12.9909   -7.5004    0.0000 C   0  0
   11.6918   -8.2504    0.0000 C   0  0
   10.3928   -7.5004    0.0000 N   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  1  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 12 21  1  0
 21 22  2  0
 22  9  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15732

> <plate>
PLATE 006

> <well>
D8

> <supplier_cmpd_name>
WZ811

> <ctcr_id>
5884

> <supplier_cmpd_id>
T1739

> <smiles>
C(Nc1ccccn1)c2ccc(CNc3ccccn3)cc2

> <pd_targets>
{CXCR4}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Chemokine receptor","CXC chemokine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Chemokine receptors"}

> <pathway_reactome>
{Disease,"Infectious disease","HIV Infection","HIV Life Cycle","Early Phase of HIV Life Cycle","Binding and entry of HIV virion"}

> <broad_targets>
{CXCR4}

> <broad_moa>
{"CC chemokine receptor antagonist"}

> <synonyms>
{55778-02-4,55778024,WZ811,"WZ 811",WZ-811,"N1,N4-Di-2-pyridinyl-1,4-benzenedimethanamine","N1,N4Di2pyridinyl1,4benzenedimethanamine","N,N'-(1,4-phenylenebis(methylene))bis(pyridin-2-amine)","N,N'(1,4
phenylenebis(methylene))bis(pyridin2amine)",N-((4-((pyridin-2-ylamino)methyl)phenyl)methyl)pyridin-2-amine,N((4((pyridin2ylamino)methyl)phenyl)methyl)pyridin2amine,CHEMBL237830,N,N'-(1,N'(1,4-Phenylen
ebis(methylene)),4Phenylenebis(methylene)),T1739,S2912}

> <pdid>
PD010517

> <targets>
{CXCR}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{11565518}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 34 38  0  0  0  0            999 V2000
    7.7938   -3.0046    0.0000 C   0  0
    6.4946   -3.7543    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8888   -5.2533    0.0000 C   0  0
    2.5875   -5.9994    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -5.1968   -1.5004    0.0000 N   0  0
   -5.1945   -3.0005    0.0000 C   0  0
   -6.4924   -3.7525    0.0000 C   0  0
   -7.7926   -3.0046    0.0000 O   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0
   -6.4996    0.7475    0.0000 C   0  0
   -2.5981    3.0007    0.0000 N   0  0
   -3.8983    3.7488    0.0000 C   0  0
   -3.9007    5.2488    0.0000 C   0  0
   -2.6029    6.0009    0.0000 O   0  0
   -1.3026    5.2529    0.0000 C   0  0
   -1.3003    3.7529    0.0000 C   0  0
    0.0000    3.0050    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 14  1  0
 19 20  2  0
 20 11  1  0
 17 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 26 27  1  0
 15 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 33 34  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15733

> <plate>
PLATE 006

> <well>
D9

> <supplier_cmpd_name>
AZD8055

> <ctcr_id>
4959

> <supplier_cmpd_id>
T1859

> <smiles>
COc1ccc(cc1CO)c2ccc3c(nc(nc3n2)N4CCOCC4C)N5CCOCC5C

> <pd_targets>
{PIK3CA,MTOR,PIK3R1,MAPKAP1,MLST8,RICTOR,RPTOR,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transferase,Kinase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","Atypical protein kinase group","Voltage-gated potassium channel","Atypical protein kinase PI
KK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Lipid modifying kinases",Atypical,"Potassium channels",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidy
l inositol 3' kinase-related kinases (PIKK) family","Voltage-gated potassium channels","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Muscle contraction","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Cardiac conduction
","Signaling by FGFR in disease","Generic Transcription Pathway","Phase 3 - rapid repolarisation","Signaling by FGFR1 in disease","Transcriptional Regulation by TP53","FGFR1 mutant receptor activation
","Regulation of TP53 Activity","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{SCHEMBL1219191,CHEMBL2140640,HMS3265A15,HMS3265A16,HMS3265B15,HMS3265B16,HMS3655K03,HMS3744M21,AKOS026750238,NCGC00389372-02,NCGC0038937202,AK109550,LS-15122,LS15122,FT-0660381,FT0660381,S1555,AZD805
5}

> <pdid>
PD003359

> <targets>
{mTOR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{44200436}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 35  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 S   0  0
    1.3000   -0.7500    0.0000 O   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.5993    0.0004    0.0000 O   0  0
   20.7364    5.2377    0.0000 Cl  0  0
   21.3560    3.8717    0.0000 C   0  0
   22.8488    3.7253    0.0000 C   0  0
   23.4684    2.3592    0.0000 C   0  0
   22.5952    1.1396    0.0000 C   0  0
   21.1024    1.2859    0.0000 C   0  0
   20.2262    0.0674    0.0000 N   0  0
   18.7327    0.2160    0.0000 C   0  0
   18.1155    1.5831    0.0000 O   0  0
   17.8566   -1.0025    0.0000 N   0  0
   16.3657   -0.8542    0.0000 C   0  0
   15.3658   -1.9724    0.0000 S   0  0
   14.0123   -1.3561    0.0000 C   0  0
   12.7136   -2.1083    0.0000 C   0  0
   11.4123   -1.3606    0.0000 C   0  0
   10.1137   -2.1129    0.0000 N   0  0
    8.8124   -1.3651    0.0000 C   0  0
    8.8123    0.1349    0.0000 N   0  0
    7.5133    0.8849    0.0000 C   0  0
    6.2143    0.1349    0.0000 N   0  0
    6.2143   -1.3651    0.0000 C   0  0
    5.1000   -2.3681    0.0000 C   0  0
    5.7101   -3.7384    0.0000 C   0  0
    7.2019   -3.5816    0.0000 S   0  0
    7.5133   -2.1151    0.0000 C   0  0
   14.1450    0.1253    0.0000 C   0  0
   15.6111    0.4422    0.0000 N   0  0
   20.4828    2.6521    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  2  5  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 22  1  0
 30 26  2  0
 18 31  2  0
 31 32  1  0
 32 16  2  0
 11 33  2  0
 33  7  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15734

> <plate>
PLATE 006

> <well>
D10

> <supplier_cmpd_name>
SNS-314 Mesylate

> <ctcr_id>
5637

> <supplier_cmpd_id>
T2617

> <smiles>
C[S](O)(=O)=O.Clc1cccc(NC(=O)Nc2sc(CCNc3ncnc4ccsc34)cn2)c1

> <pd_targets>
{CSF1R,DDR2,NTRK1,NTRK2,AURKB,RAF1,FLT4,AURKA,AXL,KIT,CAMK2G,CDK8,PLK4,NTRK3,PDGFRB,SRPK1,MINK1,IRAK1,CAMK2B,HIPK4,SLK,PTK2,PRKCD,EPHA2,MELK,CAMK2D,CDK1,PRKD2,FRK,RPS6KB1,MKNK2,DYRK3,MAPK13,MET,ROCK2,
IRAK4,ROS1,CHEK2,CDK19,TYRO3,RET,CSNK1G2,BRSK1,MAP3K20,NEK4,KDR,CLK4,AURKC}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","TKL protein kinase group","CAMK protein kinase group","CMGC protein kinase group","STE protein kinase group","AG
C protein kinase group","CK1 protein kinase group","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Trk family","Other protein kinase AUR family","T
KL protein kinase RAF family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Axl family","CAMK protein kinase CAMK2 family","CMGC protein kinase CDK family","Other protein kinase PLK 
family","CMGC protein kinase SRPK family","STE protein kinase STE20 family","TKL protein kinase IRAK family","CMGC protein kinase DYRK family","Tyrosine protein kinase Fak family","AGC protein kinase 
PKC family","Tyrosine protein kinase Eph family","CAMK protein kinase CAMK1 family","CAMK protein kinase PKD family","Tyrosine protein kinase Src family","AGC protein kinase RSK family","CAMK protein 
kinase MAPKAPK family","CMGC protein kinase MAPK family","Tyrosine protein kinase Met family","AGC protein kinase DMPK family","Tyrosine protein kinase Sev family","CAMK protein kinase RAD53 family","
Tyrosine protein kinase Ret family","CK1 protein kinase CK1 family","TKL protein kinase MLK family","Other protein kinase NEK family","CMGC protein kinase CLK family","CMGC protein kinase CDK8 subfami
ly","STE protein kinase MSN subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase SLK subfamily","AGC protein kinase PKC delta subfamily","CAMK protein kinase MELK subfamily","CMGC prote
in kinase CDC2 subfamily","AGC protein kinase p70 subfamily","CAMK protein kinase MNK subfamily","CMGC protein kinase Dyrk2 subfamily","CMGC protein kinase p38 subfamily","AGC protein kinase ROCK subf
amily","CAMK protein kinase BRSK subfamily","TKL protein kinase MLK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs o
f yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase 1","TK: Tyrosine kinase","Other protein kinases","TKL: Tyrosine kinase-like","CAMK2 fa
mily","Cyclin-dependent kinase (CDK) family","SRPK family","STE20 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Protein kinase C (PKC) family","CAMK-like (CAM
KL) family","Protein kinase D (PKD) family","RSK family","MAPK-Activated Protein Kinase (MAPKAPK) family","Mitogen-activated protein kinases (MAP kinases)","DMPK family","Casein kinase 1 (CK1) family"
,"CLK family","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) family","RAF family","CDK8 subfamily","Polo-like kinase (PLK) family","MSN subfamily","Interleukin-1 receptor-associated kinase (I
RAK) family","HIPK subfamily","SLK subfamily","Non-receptor tyrosine kinases (nRTKs)","Delta subfamily","MELK subfamily","CDK1 subfamily","p70 subfamily","MKN subfamily","Dyrk2 subfamily","p38 subfami
ly","Rho kinase","CHK1 subfamily","BRSK subfamily","Mixed Lineage Kinase (MLK) family","NIMA (never in mitosis gene a)- related kinase (NEK) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor fami
ly","Type XVI RTKs: DDR (collagen receptor) family","Type VII RTKs: Neurotrophin receptor/Trk family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XI RTKs: TAM (TYRO
3-","AXL- and MER-TK) receptor family","Fak family","Type XIII RTKs: Ephrin receptor family","Src family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XVII RTKs: ROS receptors",
"Type XIV RTKs: RET","MLK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Extracellular matrix organization","Signal Transduction","Cell Cycle",Disease,"Neuronal System","Cellular responses to external stimuli","Immune System","Developmen
tal Biology",Metabolism,"RNA Polymerase II Transcription","Non-integrin membrane-ECM interactions","Signaling by Receptor Tyrosine Kinases",Mitotic,"MAPK family signaling cascades","Diseases of signal
 transduction by growth factor receptors and second messengers","Transmission across Chemical Synapses","Intracellular signaling by second messengers","Cellular responses to stress","Innate Immune Sys
tem","Infectious disease","Nervous system development","Metabolism of lipids","MTOR signalling","Generic Transcription Pathway","Signaling by NTRKs","M Phase","MAPK1/MAPK3 signaling","Signaling by VEG
F","Signaling by KIT in disease","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by NOTCH1 in Cancer","Mitotic G2-G2/M phases","PIP3 activates AKT signaling","Cellular Sen
escence","Toll-like Receptor Cascades","Leishmania infection","DAG and IP3 signaling","Axon guidance","Regulation of mitotic cell cycle","Sphingolipid metabolism","mTORC1-mediated signalling","Regulat
ion of lipid metabolism by PPARalpha","Transcriptional Regulation by VENTX","Signaling by NTRK1 (TRKA)","Mitotic Metaphase and Anaphase","RAF/MAP kinase cascade","VEGF ligand-receptor interactions","T
ranscriptional Regulation by TP53","VEGFA-VEGFR2 Pathway","Drug resistance of KIT mutants","Activation of NMDA receptors and postsynaptic events","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer"
,"G2/M Transition","Signaling by NTRK3 (TRKC)","Negative regulation of the PI3K/AKT network","Oxidative Stress Induced Senescence","Toll Like Receptor 5 (TLR5) Cascade","Parasite infection","CaM pathw
ay","EPH-Ephrin signaling","APC/C-mediated degradation of cell cycle proteins","Sphingolipid de novo biosynthesis","PTEN Regulation","Semaphorin interactions","Toll Like Receptor 2 (TLR2) Cascade","PP
ARA activates gene expression","RET signaling","Signalling to ERKs","Activation of TRKA receptors","Mitotic Anaphase","Negative regulation of MAPK pathway","VEGF binds to VEGFR leading to receptor dim
erization","Regulation of TP53 Activity","Dasatinib-resistant KIT mutants","Post NMDA receptor activation events","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Centrosome maturation","Act
ivated NTRK3 signals through PI3K",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","MyD88 cascade initiated on plasma membrane","Leishmania phagocytosis","Calmodulin induced events","EPHA-mediated gr
owth cone collapse","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of PTEN stability and activity","Sema4D in semaphorin signaling","Toll Like Receptor TLR6
:TLR2 Cascade","VEGFR2 mediated cell proliferation","Prolonged ERK activation events","NGF-independant TRKA activation","Separation of Sister Chromatids","Negative feedback regulation of MAPK pathway"
,"Regulation of TP53 Activity through Phosphorylation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Loss of proteins required for interphase microtubule organiza
tion from the centrosome","MAP kinase activation","FCGR3A-mediated phagocytosis","APC/C:Cdc20 mediated degradation of mitotic proteins","Signalling to RAS","Sema4D mediated inhibition of cell attachme
nt and migration","Sema4D induced cell migration and growth-cone collapse","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Regulation of TP53 Expression and Degradation","ARMS-mediated activa
tion","Ras activation upon Ca2+ influx through NMDA receptor","Loss of Nlp from mitotic centrosomes","activated TAK1 mediates p38 MAPK activation","APC:Cdc20 mediated degradation of cell cycle protein
s prior to satisfation of the cell cycle checkpoint","p38MAPK events","Regulation of TP53 Degradation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{AURKA,AURKB,AURKC}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{"SNS-314 Mesylate","SNS314 Mesylate",1146618-41-8,1146618418,UNII-KGW32FDY3U,UNIIKGW32FDY3U,"SNS 314 mesylate",KGW32FDY3U,"1146618-41-8 (mesylate)","1146618418 (mesylate)",cc-347,cc347,MLS006011040,C
19H19ClN6O4S3,CHEMBL518051,SCHEMBL17257952,DTXSID10648376,EX-A465,EXA465,HMS3654A12,BCP24792,s1154,AKOS015904656,T2617,S1154}

> <pdid>
PD005309

> <targets>
{"Aurora Kinases A",B,"& C",Aurora,"Aurora Kinase"}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{24995523}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    5.1937   -3.0093    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2628    2.2303    0.0000 C   0  0
    0.0543    2.9483    0.0000 C   0  0
    0.0910    4.4478    0.0000 C   0  0
    1.4080    5.1658    0.0000 F   0  0
   -1.1893    5.2294    0.0000 C   0  0
   -2.5063    4.5115    0.0000 C   0  0
   -2.5430    3.0119    0.0000 C   0  0
   -3.8601    2.2940    0.0000 F   0  0
   -2.5625   -0.0216    0.0000 S   0  0
   -3.8618   -0.7712    0.0000 O   0  0
   -3.8615    0.7286    0.0000 O   0  0
   -2.5631   -1.5224    0.0000 C   0  0
   -1.2644   -2.2729    0.0000 C   0  0
   -1.2651   -3.7729    0.0000 C   0  0
   -2.5644   -4.5224    0.0000 C   0  0
   -2.5650   -6.0224    0.0000 Cl  0  0
   -3.8631   -3.7719    0.0000 C   0  0
   -3.8625   -2.2719    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  2  0
 18 12  1  0
 18 19  1  0
  9 20  1  0
 20 21  2  0
 20 22  2  0
 20 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 23  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15735

> <plate>
PLATE 006

> <well>
D11

> <supplier_cmpd_name>
MK0752

> <ctcr_id>
3105

> <supplier_cmpd_id>
T2625

> <smiles>
OC(=O)CCC1CCC(CC1)(c2cc(F)ccc2F)[S](=O)(=O)c3ccc(Cl)cc3

> <pd_targets>
{PSEN1,APH1A,APH1B,NCSTN,PSEN2,PSENEN}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Other ion channel",Protease,"Miscellaneous ion channel","Aspartic protease","Presenilin ER Ca2+ leak channel family","Aspartic protease AD clan","Aspartic protease A22A subfamil
y","Aspartic protease A22A regulatory subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","AD: Aspartic (A) Peptidases","A22: Presenilin"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","EPH-Ephrin signaling","EPH-ephrin mediated repulsion of cells"}

> <broad_targets>
{}

> <broad_moa>
{"gamma secretase inhibitor"}

> <synonyms>
{MK-0752,MK0752,471905-41-6,471905416,UNII-9JD9B4S53T,UNII9JD9B4S53T,"MK 0752",9JD9B4S53T,952578-68-6,952578686,cc-14,cc14,C21H21ClF2O4S,MLS006011072,SCHEMBL756247,SCHEMBL756248,SCHEMBL756249,CHEMBL33
92635,CHEMBL4205422,SCHEMBL18288908,GTPL11360,DTXSID70915051,HMS3656H09,HMS3884B14,AOB8719,S2660}

> <pdid>
PD003509

> <targets>
{Gamma-secretase,Beta Amyloid,³-secretase}

> <classes>
{Proteases,Neuronal Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{9803433}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    2.1832    3.7527    0.0000 C   0  0
    3.1875    2.6385    0.0000 S   0  0
    4.6544    2.9516    0.0000 O   0  0
    3.6500    4.0654    0.0000 O   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 N   0  0
    0.0048   -6.0009    0.0000 C   0  0
    0.0072   -7.5009    0.0000 N   0  0
    1.3026   -5.2488    0.0000 N   0  0
    1.3002   -3.7488    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 O   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9  5  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 14  1  0
 11 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15736

> <plate>
PLATE 006

> <well>
E2

> <supplier_cmpd_name>
CH5132799

> <ctcr_id>
2106

> <supplier_cmpd_id>
T2619

> <smiles>
CS(=O)(=O)N1CCc2c1nc(nc2c3cnc(N)nc3)N4CCOCC4

> <pd_targets>
{PIK3CG,PIK3CA,PIK3CD,PIK3C2B,MTOR,PIK3CB,PIK3R1,PIK3R2,PIK3R3,PIK3R5}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidylinositol-4-phosphate 3-kinase family","Phosphatidyl inositol 3' 
kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Immune System","Gene expression (Transcription)","Signal Transduction","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second messengers","C
ytokine Signaling in Immune system","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Phospholipid metabolism","Signaling by FGFR in disease","Signaling by Interleukins","Gen
eric Transcription Pathway","Signaling by Insulin receptor","PI Metabolism","Signaling by FGFR1 in disease",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Transcriptional Regulation by TP53","Ins
ulin receptor signalling cascade","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor activation","Interleukin receptor SHC signaling","Regulation of TP53 Activity","IRS-mediated signall
ing","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","PI3K Cascade","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR,PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{CH5132799,1007207-67-1,1007207671,CH-5132799,"CH 5132799",UNII-JCL936W835,UNIIJCL936W835,CHEMBL1684984,JCL936W835,"CH5132799 (PA-799)","CH5132799 (PA799)",C15H19N7O3S,cc-614,cc614,MLS006010989,GTPL77
43,QCR-47,QCR47,SCHEMBL2377154,DTXSID40678540,EX-A997,EXA997,MEN1611,SYN1146,HMS3656H15,HMS3750I19,PA799,AOB87718,B,T2619,S2699}

> <pdid>
PD010879

> <targets>
{PI3K,mTOR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{49784945}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.4470    5.2297    0.0000 C   0  0
   -0.3298    6.2307    0.0000 O   0  0
   -2.9153    5.5365    0.0000 C   0  0
   -3.5301    6.9047    0.0000 O   0  0
   -3.6607    4.2349    0.0000 N   0  0
   -2.6532    3.1236    0.0000 C   0  0
   -2.9513    1.6528    0.0000 C   0  0
   -1.9126    0.5779    0.0000 C   0  0
   -2.3264   -0.8638    0.0000 C   0  0
   -3.7820   -1.2264    0.0000 N   0  0
   -4.8237   -0.1471    0.0000 C   0  0
   -4.4098    1.2947    0.0000 C   0  0
   -5.1499    4.0700    0.0000 C   0  0
   -5.7536    2.6959    0.0000 C   0  0
   -7.2453    2.5307    0.0000 C   0  0
   -7.8490    1.1567    0.0000 N   0  0
   -9.3396    0.9894    0.0000 C   0  0
   -9.9402   -0.3851    0.0000 C   0  0
   -9.0501   -1.5925    0.0000 O   0  0
   -7.5594   -1.4253    0.0000 C   0  0
   -6.9589   -0.0508    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  9  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13  7  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 12 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 23  1  0
  4 29  2  0
 29 30  1  0
 30 31  2  0
 31  2  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 34  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15737

> <plate>
PLATE 006

> <well>
E3

> <supplier_cmpd_name>
SBC-115076

> <ctcr_id>
11447

> <supplier_cmpd_id>
T2626

> <smiles>
Cc1cc(C(=O)C2=C(O)C(=O)N(C2c2ccncc2)CCCN2CCOCC2)ccc1OCc1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BC11507,489415-96-5,489415965,BCP15776,AKOS026750569,ACN-036708-2,ACN0367082,"SBC 115076;SBC115076",C(C1=CC=CC=C1)OC1=C(C=C(C(=O)C2=C(C(N(C2C2=CC=NC=C2)CCCN2CCOCC2)=O)O)C=C1)C,T2626,SBC-115076}

> <pdid>
PD012977

> <targets>
{PCSK9,Ser/Thr Protease}

> <classes>
{Others,Metabolic Enzyme/Protease}

> <pubchem_cids>
{2917745}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    7.7905   -6.0071    0.0000 C   0  0
    6.4915   -5.2571    0.0000 N   0  0
    5.1924   -6.0070    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -3.1884   -2.6409    0.0000 C   0  0
   -4.6234   -3.0602    0.0000 C   0  0
   -4.9781   -4.5176    0.0000 C   0  0
   -3.8933   -5.5536    0.0000 C   0  0
   -2.4537   -5.1320    0.0000 C   0  0
   -1.3661   -6.1662    0.0000 O   0  0
    0.0736   -5.7424    0.0000 C   0  0
    1.1606   -6.7761    0.0000 F   0  0
    0.4258   -4.2843    0.0000 F   0  0
    1.5123   -5.3181    0.0000 F   0  0
   -2.0990   -3.6745    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 13  1  0
 17 18  1  0
 18 10  2  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 23 29  2  0
 29 19  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15738

> <plate>
PLATE 006

> <well>
E4

> <supplier_cmpd_name>
SGI-1776 free base

> <ctcr_id>
862

> <supplier_cmpd_id>
T3078

> <smiles>
CN1CCC(CC1)CNc2ccc3ncc(n3n2)c4cccc(OC(F)(F)F)c4

> <pd_targets>
{PIM2,PIM1,KCNH2,PIM3,YES1,FLT3,HASPIN}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","CAMK protein kinase group","Voltage-gated potassium channel","TK protein kinase group","Other protein ki
nase group","CAMK protein kinase PIM family","Tyrosine protein kinase Src family","Tyrosine protein kinase PDGFR family","Other protein kinase Haspin family"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","Potassium channels","Receptor kinases"
,"PIM family","Voltage-gated potassium channels","TK: Tyrosine kinase","Other protein kinases","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Haspin family","Src family","
Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{Disease,"Muscle contraction","Signal Transduction","Diseases of signal transduction by growth factor receptors and second messengers","Cardiac conduction","Infectious disease","Signaling by Receptor 
Tyrosine Kinases","FLT3 signaling in disease","Phase 3 - rapid repolarisation","Leishmania infection","Signaling by Insulin receptor","Signaling by FLT3 ITD and TKD mutants","Leishmania parasite growt
h and survival","Insulin receptor signalling cascade","STAT5 activation downstream of FLT3 ITD mutants","Anti-inflammatory response favouring Leishmania parasite infection","IRS-mediated signalling","
FCGR3A-mediated IL10 synthesis","PI3K Cascade"}

> <broad_targets>
{FLT3,PIM1,PIM2,PIM3}

> <broad_moa>
{"Pim kinase inhibitor"}

> <synonyms>
{SGI-1776,SGI1776,1025065-69-3,1025065693,"SGI-1776 free base","SGI1776 free base","SGI 1776",UNII-72AUA0603W,UNII72AUA0603W,CHEMBL1952329,72AUA0603W,CHEMBL1952141,"SGI 1776 free base",cc-574,cc574,ML
S006011076,SCHEMBL102498,GTPL8784,CHEBI:95061,AOB2259,DTXSID10647329,QCR-216,QCR216,HMS3655P08,HMS3672I15,HMS,T3078,S2198}

> <pdid>
PD010831

> <targets>
{Pim,Apoptosis,Autophagy}

> <classes>
{JAK/STAT,Apoptosis,Autophagy,JAK/STAT Signaling}

> <pubchem_cids>
{24795070}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    5.0460   -2.3579    0.0000 C   0  0
    6.2823   -1.5084    0.0000 C   0  0
    7.6962   -2.0093    0.0000 O   0  0
    5.8565   -0.0701    0.0000 N   0  0
    4.3570   -0.0307    0.0000 C   0  0
    3.4982    1.1992    0.0000 O   0  0
    4.9973   -3.8578    0.0000 C   0  0
    6.3342   -4.5421    0.0000 C   0  0
    6.4049   -6.0405    0.0000 C   0  0
    5.1427   -6.8509    0.0000 C   0  0
    5.2134   -8.3492    0.0000 Cl  0  0
    3.8097   -6.1630    0.0000 C   0  0
    3.7390   -4.6647    0.0000 C   0  0
    2.4063   -3.9763    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  2  1  0
 10  5  1  0
  4 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
 12 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 18  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15739

> <plate>
PLATE 006

> <well>
E5

> <supplier_cmpd_name>
SB216763

> <ctcr_id>
5668

> <supplier_cmpd_id>
T3077

> <smiles>
Cn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4ccc(Cl)cc4Cl

> <pd_targets>
{CCNA1,CCNA2,CDK2,MAPK1,CCNB1,CCNB2,CCNB3,CDK1,NFO,THPO,USP2,GMNN,GSK3B,MAPT,CYP2C19,MEX-5,ALD,HTT,HBB,GSK3A,KMT2A,MEN1,NFKB1,APEX1,HIF1A,CYP3A4,CYP2C9,LMNA,RORC,POLB,CCND1,CDK4,RECQL,FTL,CYP1A2,LEF,C
YP2D6,POS-1,PAX8}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other cytosolic protein","Transcription factor","Secreted protein","Epigenetic regulator","Other nuclear protein",Kinase,Hydrolase,Protease,"Cytochrome P450",Reader,"Nu
clear receptor","Protein Kinase","Cysteine protease","Cytochrome P450 family 2",Bromodomain,"Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 1","Metallo protea
se","CMGC protein kinase group","Cysteine protease CA clan","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 1A","Metallo 
protease MAE clan","Cytochrome P450 family 2D","CMGC protein kinase CDK family","CMGC protein kinase MAPK family","Cysteine protease C19 family","CMGC protein kinase GSK family","Cytochrome P450 2C19"
,"Cytochrome P450 3A4","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 1A1","Metallo protease M34 family","Cytochrome P450 2D6","CMGC protein kinase CDC2
 subfamily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Peptidases and proteinases","Cytochrome P450","Chromatin modifying enzymes","Nuclear hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CA: 
Cysteine (C) Peptidases","CYP2 family: drug metabolising subset","CYP3 family","2.1.1.43 Histone methyltransferases (HMTs)","1F. Retinoic acid-related orphans","CYP1 family","Mitogen-activated protein
 kinases (MAP kinases)","C19: Ubiquitin-specific protease","Glycogen synthase kinase (GSK) family","ERK subfamily","GSK subfamily"}

> <pathway_reactome>
{"Immune System",Hemostasis,"Gene expression (Transcription)","Cell Cycle",Disease,"Neuronal System",Metabolism,"DNA Repair","Cellular responses to external stimuli","Vesicle-mediated transport","Inna
te Immune System","Platelet activation","signaling and aggregation","RNA Polymerase II Transcription",Mitotic,"Infectious disease","Transmission across Chemical Synapses","Biological oxidations","Cyto
kine Signaling in Immune system","Base Excision Repair","Cellular responses to stress","Metabolism of lipids","Membrane Trafficking","Toll-like Receptor Cascades","Platelet Aggregation (Plug Formation
)","Generic Transcription Pathway","Mitotic G1 phase and G1/S transition","SARS-CoV Infections","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compou
nds","Neutrophil degranulation","Signaling by Interleukins","Resolution of Abasic Sites (AP sites)","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase"
,"trans-Golgi Network Vesicle Budding","Uptake and actions of bacterial toxins","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional Regulation by TP53","G1/S Transition","SARS-CoV-1 Infection","Act
ivation of NMDA receptors and postsynaptic events","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by MECP2","Interleukin-1 family signaling","Resolution of AP sites via the
 multiple-nucleotide patch replacement pathway","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Transcri
ptional regulation by RUNX1","Transcriptional regulation by RUNX3","Golgi Associated Vesicle Biogenesis","Uptake and function of anthrax toxins","MyD88 cascade initiated on plasma membrane","Regulatio
n of TP53 Activity","Activation of the pre-replicative complex","SARS-CoV-1 Genome Replication and Transcription","Post NMDA receptor activation events",Xenobiotics,"Regulation of MECP2 expression and
 activity","Interleukin-1 signaling","PCNA-Dependent Long Patch Base Excision Repair","Biosynthesis of maresins","Mitotic Anaphase","RUNX1 regulates genes involved in megakaryocyte differentiation and
 platelet function","RUNX3 Regulates Immune Response and Cell Migration","MAP kinase activation","Regulation of TP53 Expression and Degradation","Replication of the SARS-CoV-1 genome","Activation of A
MPK downstream of NMDARs","CYP2E1 reactions","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated 
or N-dealkylated by CYP1A2","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inact
ivated"}

> <broad_targets>
{CCNA2,CDK2,GSK3A,GSK3B}

> <broad_moa>
{"glycogen synthase kinase inhibitor"}

> <synonyms>
{280744-09-4,280744094,"SB 216763","3-(2,4-Dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione","3(2,4Dichlorophenyl)4(1methyl1Hindol3yl)1Hpyrrole2,5dione",SB216763,SB-216763,"3-(2,4-dichl
orophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione","3(2,4dichlorophenyl)4(1methylindol3yl)pyrrole2,5dione",C19H12Cl2N2O2,1H-Pyrrole-2,1HPyrrole2,5-dione,5dione,3-(2,3(2,4-dichlorophenyl)-4-,4dichloro
phenyl)4,T3077,1616,S1075}

> <pdid>
PD002648

> <targets>
{GSK-3,GSK3}

> <classes>
{}

> <pubchem_cids>
{176158}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    4.2146   -6.5095    0.0000 C   0  0
    3.3372   -5.2929    0.0000 C   0  0
    3.8056   -3.8679    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3039    3.7494    0.0000 N   0  0
    1.3092    5.2494    0.0000 C   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 O   0  0
    3.9020    3.7405    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.6590   -1.8298    0.0000 C   0  0
   -7.1272   -2.1369    0.0000 C   0  0
   -7.5954   -3.5619    0.0000 C   0  0
   -9.0636   -3.8690    0.0000 Cl  0  0
   -6.5954   -4.6799    0.0000 C   0  0
   -5.1271   -4.3729    0.0000 C   0  0
   -4.1271   -5.4909    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.3786   -3.8595    0.0000 N   0  0
    1.8372   -5.2877    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
  8 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 22  1  0
 28 29  1  0
 20 30  1  0
 30 16  1  0
 30 31  1  0
 31  6  2  0
  4 32  2  0
 32 33  1  0
 33  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15740

> <plate>
PLATE 006

> <well>
E6

> <supplier_cmpd_name>
Gandotinib

> <ctcr_id>
5527

> <supplier_cmpd_id>
T2638

> <smiles>
Cc1cc(Nc2cc(CN3CCOCC3)c4nc(C)c(Cc5ccc(Cl)cc5F)n4n2)n[nH]1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{GANDOTINIB,LY2784544,1229236-86-5,1229236865,"LY 2784544",LY-2784544,"Gandotinib (LY2784544)",UNII-ANC71R916O,UNIIANC71R916O,ANC71R916O,C23H25ClFN7O,"Gandotinib (USAN:INN)",LY2784544(Gandotinib),"Gan
dotinib (USAN)",cc-18,cc18,LY2784544;Gandotinib,Gandotinib(LY2784544),Gandot,T2638,S2179,Gandotinib}

> <pdid>

> <targets>
{JAK}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{46213929}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 34 38  0  0  0  0            999 V2000
    2.5795   -7.5040    0.0000 C   0  0
    2.5847   -6.0040    0.0000 N   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 Br  0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -2.5764   -7.5048    0.0000 O   0  0
   -1.2730   -8.2489    0.0000 C   0  0
   -1.2625   -9.7489    0.0000 C   0  0
    0.0417  -10.4898    0.0000 C   0  0
    1.3355   -9.7309    0.0000 C   0  0
    1.3251   -8.2309    0.0000 C   0  0
    0.0209   -7.4899    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  3
 17 11  1  0
 17 18  1  0
 12 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  2  3
 24 25  1  0
 25 26  1  0
 26 27  2  3
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  2  3
 31 26  1  0
 24 32  1  0
 32 33  2  3
 33 21  1  0
 19 34  2  3
 34  9  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15741

> <plate>
PLATE 006

> <well>
E7

> <supplier_cmpd_name>
G-749

> <ctcr_id>
11448

> <supplier_cmpd_id>
T2620

> <smiles>
CN1CCC(CC1)NC1=NC2=C(C(=O)NC=C2Br)C(NC2=CC=C(OC3=CC=CC=C3)C=C2)=N1

> <pd_targets>
{MERTK,FLT3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase Axl family","Tyrosine protein kinase PDGFR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type III RTKs: PDGFR",CSFR,
Kit,"FLT3 receptor family"}

> <pathway_reactome>
{Hemostasis,"Signal Transduction","Cell surface interactions at the vascular wall","Signaling by Receptor Tyrosine Kinases","Signaling by Insulin receptor","Insulin receptor signalling cascade","IRS-m
ediated signalling","PI3K Cascade"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{74,G-749,G749,1457983-28-6,1457983286,UNII-B06W426B66,UNIIB06W426B66,B06W426B66,C25H25BrN6O2,GTPL8108,CHEMBL4544478,SCHEMBL15265027,AOB87764,BCP11201,EX-A1074,EXA1074,2183AH,MFCD28167815,s7545,ZINC95
644293,AKOS026750566,CCG-269863,CCG269863,CS-3343,CS3343,NCGC00386412-04,NCGC0038641204,AC-33000,AC33000,BS-15433,BS15433,DA-33613,DA33613,HY-1,HY1,T2620}

> <pdid>
PD021556

> <targets>
{FLT3,"Aurora B",RET,"FLT3 (D835Y)",Mer}

> <classes>
{"Cell Cycle/Checkpoint",Angiogenesis,Apoptosis,"Tyrosine Kinase/Adaptors",Chromatin/Epigenetic}

> <pubchem_cids>
{78357765}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 41 45  0  0  0  0            999 V2000
   16.8691   10.2322    0.0000 C   0  0
   15.4464    9.7570    0.0000 N   0  0
   15.1454    8.2867    0.0000 C   0  0
   16.2680    7.2918    0.0000 O   0  0
   13.7219    7.8112    0.0000 C   0  0
   13.4190    6.3421    0.0000 C   0  0
   11.9952    5.8698    0.0000 C   0  0
   11.6892    4.4005    0.0000 O   0  0
   10.2640    3.9300    0.0000 C   0  0
    9.9560    2.4620    0.0000 C   0  0
    8.5307    1.9947    0.0000 C   0  0
    7.4132    2.9954    0.0000 C   0  0
    5.9880    2.5249    0.0000 N   0  0
    5.6819    1.0557    0.0000 C   0  0
    6.8010    0.0568    0.0000 O   0  0
    4.2567    0.5852    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    4.8082   -4.6653    0.0000 C   0  0
    6.2996   -4.8254    0.0000 C   0  0
    3.9242   -5.8772    0.0000 C   0  0
    5.4155   -6.0369    0.0000 C   0  0
    7.7213    4.4634    0.0000 C   0  0
    6.6039    5.4642    0.0000 F   0  0
    9.1466    4.9307    0.0000 C   0  0
   10.8744    6.8668    0.0000 C   0  0
   11.1773    8.3359    0.0000 C   0  0
   12.6010    8.8081    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 17  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 25  1  0
 30 31  2  0
 31 22  1  0
 19 32  1  0
 32 33  1  0
 32 34  1  0
 32 35  1  0
 12 36  1  0
 36 37  1  0
 36 38  2  0
 38  9  1  0
  7 39  2  0
 39 40  1  0
 40 41  2  0
 41  5  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15742

> <plate>
PLATE 006

> <well>
E8

> <supplier_cmpd_name>
DCC-2036

> <ctcr_id>
6197

> <supplier_cmpd_id>
T2640

> <smiles>
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3c4ccc5ncccc5c4)C(C)(C)C)c(F)c2)ccn1

> <pd_targets>
{YES1,ABL1,FLT3,TEK,KDR,LYN,BCR,NTRK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Atypical protein kinase group","Tyrosine protein kinase Src family","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR famil
y","Tyrosine protein kinase Tie family","Tyrosine protein kinase VEGFR family","Atypical protein kinase BCR family","Tyrosine protein kinase Trk family"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases",Atypical,"TK: Tyrosine kinase","BCR family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)
","Src family","Abl family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Type IV RTKs: VEGF (vascular endothelial growth factor) recept
or family","Type VII RTKs: Neurotrophin receptor/Trk family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Infectious disease","Signaling by Receptor Tyrosine Kinases","MAPK family signaling cascades","Diseases of signal transduction by growth factor receptors and second mes
sengers","Leishmania infection","Signaling by Insulin receptor","MAPK1/MAPK3 signaling","Signaling by VEGF","Signaling by FGFR in disease","Signaling by NTRKs","Leishmania parasite growth and survival
","Parasite infection","Insulin receptor signalling cascade","RAF/MAP kinase cascade","VEGFA-VEGFR2 Pathway","Signaling by FGFR1 in disease","Signaling by NTRK1 (TRKA)","Anti-inflammatory response fav
ouring Leishmania parasite infection","Leishmania phagocytosis","IRS-mediated signalling","VEGFR2 mediated cell proliferation","FGFR1 mutant receptor activation","Signalling to ERKs","FCGR3A-mediated 
IL10 synthesis","FCGR3A-mediated phagocytosis","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","Prolonged ERK activation events","ARMS-mediated activation"}

> <broad_targets>
{ABL1,BCR,FGR,FLT3,HCK,LYN,SRC}

> <broad_moa>
{"Bcr-Abl kinase inhibitor","TIE tyrosine kinase inhibitor","VEGFR inhibitor"}

> <synonyms>
{"DCC-2036 (Rebastinib)","DCC2036 (Rebastinib)","DCC 2036",REBASTINIB,DCC-2036,DCC2036,1020172-07-9,1020172079,CHEBI:62166,UNII-75017Q6I97,UNII75017Q6I97,DP-1919,DP1919,75017Q6I97,"Rebastinib (USAN:IN
N)",3qri,3qrj,"Rebastinib (USAN)","DP 1919",Rebastinib/DCC-2036,Rebastinib/DCC2036,"DCC-2036; Rebastinib","DCC2036; Rebastinib",Rebastinib(DCC-2036),Rebastinib(DCC2036),cc-606,cc606,T2640,S2634}

> <pdid>
PD010907

> <targets>
{Bcr-Abl,Apoptosis,FLT3,Src}

> <classes>
{Angiogenesis,Apoptosis,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{25066467}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -3.9021   -3.7405    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 N   0  0
   -2.6191   -7.4957    0.0000 C   0  0
   -3.9225   -8.2398    0.0000 C   0  0
   -5.2164   -7.4809    0.0000 C   0  0
   -6.5206   -8.2219    0.0000 C   0  0
   -6.5309   -9.7218    0.0000 C   0  0
   -5.2371  -10.4808    0.0000 C   0  0
   -3.9329   -9.7398    0.0000 C   0  0
   -2.6399  -10.5019    0.0000 N   0  0
   -2.6525  -12.0018    0.0000 C   0  0
   -1.3344   -9.7632    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -0.0121   -6.0043    0.0000 C   0  0
    1.2908   -5.2609    0.0000 C   0  0
    2.5860   -6.0175    0.0000 C   0  0
    2.5785   -7.5175    0.0000 N   0  0
    1.2757   -8.2609    0.0000 C   0  0
   -0.0196   -7.5043    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 15 26  1  0
 26 11  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15743

> <plate>
PLATE 006

> <well>
E9

> <supplier_cmpd_name>
GANT61

> <ctcr_id>
7448

> <supplier_cmpd_id>
T3070

> <smiles>
CN(C)c1ccccc1CN2CCCN(Cc3ccccc3N(C)C)C2c4ccncc4

> <pd_targets>
{CYP2D6,ALDH1A1,CYP3A4,SHH,GLI1,GLI2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Transcription factor","Cytochrome P450",Oxidoreductase,"Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Cy
tochrome P450 2D6","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset","CYP3 family"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Biological oxidations","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Hedgehog","Pha
se I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Hh mutants abrogate ligand secretion","Hedgehog 'off' state","Cytochrome P450 - arranged by substrat
e type","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","HHAT G278V doesn't palmitoylate Hh-Np","Degradation of GLI1 by the proteasome",Xenobiotics,"Biosynthesis of maresins","CYP2E1 reactions"
,"Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{GLI1,GLI2}

> <broad_moa>
{"GLI antagonist"}

> <synonyms>
{GANT61,500579-04-4,500579044,"GANT 61",GANT-61,GNT61,NSC136476,"NSC 136476","GANT 61(NSC 136476)",CHEMBL471728,C27H35N5,NSC-136476,NCIStruc1_001747,NCIStruc1001747,NCIStruc1-001747,"NCIStruc1 001747"
,NCIStruc2_001814,NCIStruc2001814,NCIStruc2-001814,"NCIStruc2 001814",SCHEMBL12831665,CHEBI:94276,DTXSID50329591,EX-A339,EXA339,CHEBI:140908,AMY39942,BCP08050,2423AH,B,T3070,3191,S8075}

> <pdid>
PD003546

> <targets>
{Hedgehog/Smoothened,Autophagy,Gli}

> <classes>
{Autophagy,Stem Cell/Wnt}

> <pubchem_cids>
{421610}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    7.7962   -1.5128    0.0000 C   0  0
    6.4994   -0.7589    0.0000 O   0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    3.9015    0.7475    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  7 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 10  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15744

> <plate>
PLATE 006

> <well>
E10

> <supplier_cmpd_name>
PD 98059

> <ctcr_id>
4311

> <supplier_cmpd_id>
T2623

> <smiles>
COc1cccc(c1N)C2=CC(=O)c3ccccc3O2

> <pd_targets>
{HPGD,CYP3A4,CYP1A2,MAPK1,PTGS1,SMN1,TSHR,MAPT,CYP2C19,PYK,MAP2K1,ALDH1A1,PMP22,PKM,ALOX15,THPO,TP53,CYP2D6,CYP2C9,KMT2A,MEN1,LEF,BLM,NPC1,CHRM1,RAF1,RAB9A,MAP2K2,GMNN,RORC}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Other cytosolic protein","Unclassified protein","Transcription factor",Transporter,"Cytochrome P450",Kinase,Oxidoreductase,Reader,"Family A G protei
n-coupled receptor",Transferase,Protease,Hydrolase,"Nuclear receptor","Cytochrome P450 family 3","Cytochrome P450 family 1","Protein Kinase","Methyl-lysine/arginine binding protein","Peptide receptor 
(family A GPCR)","Cytochrome P450 family 2",Bromodomain,"Metallo protease","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3A","Cytochrome P450
 family 1A","CMGC protein kinase group","Tudor domain","Glycohormone receptor","Cytochrome P450 family 2C","STE protein kinase group","Cytochrome P450 family 2D","Metallo protease MAE clan","Monoamine
 receptor","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 3A4","Cytochrome P450 1A1","CMGC protein kinase MAPK family","Cytochrome P450 2C19","STE protein kinase STE7 family","Cytochr
ome P450 2D6","Cytochrome P450 2C9","Metallo protease M34 family","Acetylcholine receptor","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Eicosanoid turnover","Cytochrome P450","Kinases (EC 2.7.x.x)","G protein-coupled receptors","2.7.1.40 Pyruvate kinases","SLC superfamily of solute carriers","Nuclear h
ormone receptors","Prostaglandin synthases","CYP3 family","CYP1 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Cyclooxygenase,"Glycoprotein hormone receptors","CYP2 family: drug metabolising 
subset","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",Lipoxygenases,"SLC65 NPC-type cholesterol transporters","Acetylcholine receptors (muscarinic)","1F. Retinoic acid-related o
rphans","Mitogen-activated protein kinases (MAP kinases)","STE7 family","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System","Metabolism of RNA",Disease,"Neuronal System","Signal Transduction","Developmental Biology",Hemostasis,"Cell Cycle","DNA Repair","Transport of small molecules","Gene expres
sion (Transcription)","Metabolism of lipids","Biological oxidations","Innate Immune System","Metabolism of non-coding RNA","Infectious disease","Transmission across Chemical Synapses","Signaling by Re
ceptor Tyrosine Kinases","Nervous system development","Metabolism of carbohydrates","Platelet activation","signaling and aggregation","Cell Cycle Checkpoints","DNA Double-Strand Break Repair","Plasma 
lipoprotein assembly",remodeling,"and clearance","Signaling by GPCR","Signaling by Rho GTPases",Mitotic,"RNA Polymerase II Transcription","Biosynthesis of specialized proresolving mediators (SPMs)","P
hase I - Functionalization of compounds","Toll-like Receptor Cascades","Fatty acid metabolism","snRNP Assembly","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission"
,"Signaling by NTRKs","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Glucose metabolism","Platelet Aggregation (Plug Formation)","G1/S DNA Damage Checkpoints","Uptake and actions of
 bacterial toxins","Homology Directed Repair","Plasma lipoprotein clearance","GPCR ligand binding","Rho GTPase cycle","Mitotic G1 phase and G1/S transition","Generic Transcription Pathway","Biosynthes
is of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Toll Like Receptor 5 (TLR5) Cascade","Arachidonic acid metabolism","Leishmania parasite growth and survival","Activation of NMDA
 receptors and postsynaptic events","Signaling by NTRK1 (TRKA)","Ethanol oxidation",Glycolysis,"Biosynthesis of DPA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Uptake and function of ant
hrax toxins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","LDL clearance","Class A/1 (Rhodopsin-like receptors)","RHOBTB GTPase Cycle","G1/S Transition","Transcription
al regulation by RUNX3","Biosynthesis of D-series resolvins","Biosynthesis of maresins",Xenobiotics,"MyD88 cascade initiated on plasma membrane","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)
","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","Signalling to ERKs","Biosynthesis of DPAn-3 SPMs","p53-Dependent G1 DNA Damage Response",
"HDR through Homologous Recombination (HRR)","Amine ligand-binding receptors","RHOBTB3 ATPase cycle","Activation of the pre-replicative complex","RUNX3 Regulates Immune Response and Cell Migration","B
iosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP kinase activation","ADORA2B mediated anti-inflammatory cytokines production","Activation of AM
PK downstream of NMDARs","CYP2E1 reactions","Prolonged ERK activation events","Biosynthesis of DPAn-3-derived protectins and resolvins","Stabilization of p53","Homologous DNA Pairing and Strand Exchan
ge","Muscarinic acetylcholine receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Frs2-mediated activation","Autodegradation of the E3 ubiquitin ligase COP1","Presynaptic phase of homol
ogous DNA pairing and strand exchange","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{AKT1,CHEK1,GSK3B,LCK,MAP2K1,MAPK1,MAPK11,MAPK12,MAPK14,MAPK8,PRKCA,RAF1,ROCK1,RPS6KB1,SGK1}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{167869-21-8,167869218,PD98059,"PD 98059",2-(2-amino-3-methoxyphenyl)-4H-chromen-4-one,2(2amino3methoxyphenyl)4Hchromen4one,PD-98059,"PD 98,059",2-(2-amino-3-methoxyphenyl)chromen-4-one,2(2amino3metho
xyphenyl)chromen4one,2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-one,2(2Amino3methoxyphenyl)4H1benzopyran4one,2'-AMINO-3'-METHOXYFLAVONE,2'AMINO3'METHOXYFLAVONE,PD-098059,PD098059,4H-1-Benzopyran-4-
one,4H1Benzopyran4one,T2623,"EMD 513000",S1177,1213,EI-360,513000}

> <pdid>
PD002681

> <targets>
{MEK}

> <classes>
{}

> <pubchem_cids>
{4713}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 31  0  0  1  0            999 V2000
   11.4930   -3.3752    0.0000 Cl  0  5
    6.4924   -3.7566    0.0000 C   0  0
    5.1945   -3.0045    0.0000 N   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0  1  0  0  0
    3.8991   -0.7525    0.0000 C   0  0  2  0  0  0
    3.9015    0.7475    0.0000 O   0  0
    5.1969   -1.5045    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
    0.0036   -7.4988    0.0000 C   0  0
   -1.2942   -8.2509    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 C   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -3.8971   -5.2550    0.0000 Cl  0  0
    8.9930   -3.3752    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  6
  7  9  1  0
  9  3  1  0
  6 10  1  6
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  1  0
 22 10  1  0
 22 16  2  0
 20 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 28 29  1  0
M  CHG  2   1  -1  30   1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15745

> <plate>
PLATE 006

> <well>
E11

> <supplier_cmpd_name>
Flavopiridol hydrochloride

> <ctcr_id>
7591

> <supplier_cmpd_id>
T2615

> <smiles>
[Cl-].CN1CC[C@@H]([C@H](O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl.[H+]

> <pd_targets>
{PIP5K1C,DSTYK,EGFR,PYGM,CAMKK1,CDK16,CDK2,CAMK2A,RPS6KA2,MKNK2,CLK1,CAMK2B,CDK14,AXL,RPS6KA6,STK3,CIT,CSF1R,CDK3,NUAK2,EPHA1,CCNE1,CCNE2,CCNB1,CCNB2,CCNB3,CDK1,CCND1,CDK4,PRKCE,PRKCH,KIT,ACVR2B,ALK,A
CVRL1,MAP4K1,ULK2,IRAK4,CDK15,LRRK2,DYRK1A,PRKCD,PIM3,GSK3A,ABL1,PRKCQ,MAPK7,RPS6KA4,AAK1,EIF2AK2,STK32A,IRAK1,CDK6,CAMKK2,CRK2,GAK,EPHA5,STK17B,FLT3,CDK17,CDK18,PHKG1,CDK19,CDK8,MAP3K9,CDC42BPB,DCLK1
,DCLK3,CDK13,MAPK3,CDK7,CDK9,CCND2,CCND3,CDK5,CDK5R1,PIM1,CLK2,PHKG2,MAP3K10,SRMS,PKN1,TBK1,TAOK3,CCNT1,CCNA2,PRKCA,PRKCB,PRKCG,PRKCI,PRKCZ,PRKD1,PRKD3,LCK,PDGFRA,MERTK,TAOK2,TAOK1,MAP3K7,CSNK1A1L,DYR
K1B,MAP2K3,MAPK15,PRKD2,RPS6KA1,MINK1,IKBKE,ACVR1,MAPK10,GRK1,CDKL5,CCNA1,CAMK2G,DMPK,STK17A,HIPK2,GRK7,GSK3-BETA,CCNH,PIM2,EPHB1,PRKAA1,FRK,PTK2B,CDC42BPA,EPHA3,MAPK8,JAK3,RPS6KA3,CSNK1A1,MAP4K2,TYK2
,JAK2,MAP4K3,ROCK1,CILK1,STK35,PLK4,CAMK4,CSNK1G1,SRC,GSK3B,BMPR1B,MAP3K3,RPS6KB1,STK33,TNNI3K,LTK,MAP2K4,VRK2,EIF2AK1,PIP4K2C,HIPK4,MAP2K5,HIPK1,ERBB4,ERBB3,ROCK2,CLK3,RPS6KA5,CAMK2D,TGFBR2,EPHA2,LAR
P7,ERBB2,ACVR2A,HIPK3,MAK,MAP3K2,MNAT1,GRK5,MAPK13,CLK4,MATK,MAPK14,SRPK1,MAPK12,MAP4K5,PKN2,SYK,ROS1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transferase,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","CMGC protein kinase group","CAMK protein kinase group","AGC protein kinase gr
oup","STE protein kinase group","TKL protein kinase group","CK1 protein kinase group","Tyrosine protein kinase EGFR family","Other protein kinase CAMKK family","CMGC protein kinase CDK family","CAMK p
rotein kinase CAMK2 family","AGC protein kinase RSK family","CAMK protein kinase MAPKAPK family","CMGC protein kinase CLK family","Tyrosine protein kinase Axl family","STE protein kinase STE20 family"
,"AGC protein kinase DMPK family","Tyrosine protein kinase PDGFR family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Eph family","AGC protein kinase PKC family","TKL protein kinase STK
R family","Other protein kinase ULK family","TKL protein kinase IRAK family","TKL protein kinase LRRK family","CMGC protein kinase DYRK family","CAMK protein kinase PIM family","CMGC protein kinase GS
K family","Tyrosine protein kinase Abl family","CMGC protein kinase MAPK family","Other protein kinase NAK family","Other protein kinase PEK family","AGC protein kinase YANK family","CAMK protein kina
se DAPK family","CAMK protein kinase PHk family","TKL protein kinase MLK family","CAMK protein kinase DCAMK1 family","Tyrosine protein kinase Src family","AGC protein kinase PKN family","Other protein
 kinase IKK family","CK1 protein kinase CK1 family","STE protein kinase STE7 family","CAMK protein kinase PKD family","AGC protein kinase GRK family","CMGC protein kinase CDKL family","Tyrosine protei
n kinase Fak family","Tyrosine protein kinase JakA family","CMGC protein kinase RCK family","Other protein kinase NKF4 family","Other protein kinase PLK family","STE protein kinase STE11 family","CAMK
 protein kinase unique family","Tyrosine protein kinase Alk family","Other protein kinase Meta subfamily","CMGC protein kinase TAIRE subfamily","CMGC protein kinase CDC2 subfamily","AGC protein kinase
 RSK subfamily","CAMK protein kinase MNK subfamily","CMGC protein kinase PFTAIRE","STE protein kinase MST subfamily","AGC protein kinase CRIK subfamily","CAMK protein kinase NuaK subfamily","AGC prote
in kinase PKC eta subfamily","TKL protein kinase STKR Type 2 subfamily","TKL protein kinase STKR Type 1 subfamily","STE protein kinase KHS subfamily","CMGC protein kinase Dyrk1 subfamily","AGC protein
 kinase PKC delta subfamily","CMGC protein kinase ERK5","AGC protein kinase MSK subfamily","Other protein kinase PKR","CMGC protein kinase PCTAIRE","CMGC protein kinase CDK8 subfamily","TKL protein ki
nase MLK subfamily","AGC protein kinase GEK subfamily","CMGC protein kinase ERK1","CMGC protein kinase CDK7 subfamily","CMGC protein kinase CDK9 subfamily","CMGC protein kinase CDK5 subfamily","Tyrosi
ne protein kinase Srm","STE protein kinase TAO subfamily","AGC protein kinase PKC alpha subfamily","TKL protein kinase TAK1 subfamily","CK1 protein kinase CK1-a","STE protein kinase MSN subfamily","TK
L protein kinase STKR1","CMGC protein kinase JNK subfamily","AGC protein kinase GRK subfamily","CMGC protein kinase HIPK subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase ROCK subfam
ily","CMGC protein kinase MAK","STE protein kinase MEKK2","AGC protein kinase p70 subfamily","TKL protein kinase HH498 subfamily","Other protein kinase HRI","Tyrosine protein kinase Csk family","CMGC 
protein kinase SRPK family","Tyrosine protein kinase Syk family","Tyrosine protein kinase Sev family","CMGC protein kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Lipid modifying kinases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein
 kinases","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CK1: Casein kinase 1","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5
-kinase family)","Other protein kinases","TK: Tyrosine kinase","Cyclin-dependent kinase (CDK) family","CAMK2 family","RSK family","MAPK-Activated Protein Kinase (MAPKAPK) family","CLK family","STE20 f
amily","DMPK family","CAMK-like (CAMKL) family","Protein kinase C (PKC) family","TKL: Tyrosine kinase-like","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","PIM family",
"Glycogen synthase kinase (GSK) family","Mitogen-activated protein kinases (MAP kinases)","YANK family","Death-associated kinase (DAPK) family","Phosphorylase kinase (PHK) family","DCAMKL family","Pro
tein kinase N (PKN) family","Casein kinase 1 (CK1) family","STE7 family","Protein kinase D (PKD) family","G protein-coupled receptor kinases (GRKs)","Cyclin-dependent kinase-like (CDKL) family","RCK f
amily","CAMK1 family","STE11 family","CAMK-unique family","Vaccina related kinase (VRK) family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Other-unique family","Recept
or tyrosine kinases (RTKs)","CAMKK family","TAIRE subfamily","CDK1 subfamily","RSK subfamily","MKN subfamily","MST subfamily","Other DMPK family kinases","NuaK subfamily","Eta subfamily","Receptor ser
ine/threonine kinase (RSTK) family","KHS subfamily","Unc-51-like kinase (ULK) family","Interleukin-1 receptor-associated kinase (IRAK) family","Leucine-rich repeat kinase (LRRK) family","Dyrk1 subfami
ly","CDK4 subfamily","Delta subfamily","GSK subfamily","Non-receptor tyrosine kinases (nRTKs)","ERK subfamily","MSK subfamily","NAK family","PEK family","Numb-associated kinase (NAK) family","CDK8 sub
family","Mixed Lineage Kinase (MLK) family","GEK subfamily","CRK7 subfamily","CDK7 subfamily","CDK9 subfamily","CDK5 subfamily","IKK family","TAO subfamily","Erk7 subfamily","MSN subfamily","JNK subfa
mily","Opsin/rhodopsin kinases","HIPK subfamily","AMPK subfamily","Rho kinase","NKF4 family","Polo-like kinase (PLK) family","p70 subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor famil
y","Meta subfamily","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIII RTKs: Ephrin receptor family","Type II receptor ser
ine/threonine kinases","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type I receptor serine/threonine kinases","Abl family","Other PEK family kinases","MLK subfamily","Src family",
"TAK1 subfamily","Fak family","Janus kinase (JakA) family","HH498 subfamily","SRPK family","GRK4 subfamily","p38 subfamily","Csk family","Syk family","Type XVII RTKs: ROS receptors"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction",Metabolism,"Neuronal System","Gene expression (Transcription)","Immune System",Disease,"Cell Cycle","Vesicle-mediated transport",Hemostasis,"Cellular res
ponses to external stimuli","Muscle contraction","Nervous system development","Signaling by GPCR","Metabolism of carbohydrates","Transmission across Chemical Synapses","RNA Polymerase II Transcription
","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Signaling by Hippo","Signaling by Rho GTPases","Diseases of signal transduction by growth factor receptors and second messengers","Si
gnaling by NODAL","Signaling by TGFB family members","Signaling by Non-Receptor Tyrosine Kinases",Mitotic,"Intracellular signaling by second messengers","Infectious disease","Membrane Trafficking","Me
tabolism of lipids","Cell surface interactions at the vascular wall","Cellular responses to stress","Cardiac conduction","Cytokine Signaling in Immune system","Disorders of Developmental Biology","MTO
R signalling","Axon guidance","GPCR downstream signalling","Glycogen metabolism","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Toll-like Receptor C
ascades","Signaling by VEGF","RHO GTPase Effectors","Fcgamma receptor (FCGR) dependent phagocytosis","Signaling by KIT in disease","Regulation of signaling by NODAL","Signaling by BMP","Signaling by P
TK6","Mitotic G1 phase and G1/S transition","DAG and IP3 signaling","SARS-CoV Infections","Leishmania infection","Clathrin-mediated endocytosis","Influenza Infection","trans-Golgi Network Vesicle Budd
ing","Signaling by Insulin receptor","Regulation of lipid metabolism by PPARalpha","Signaling by NOTCH1 in Cancer","HIV Infection","FLT3 signaling in disease","Signaling by PDGFR in disease","M Phase"
,"Sphingolipid metabolism","Cellular Senescence","Regulation of mitotic cell cycle","Ion homeostasis","PIP3 activates AKT signaling","Signaling by Interleukins","Signaling by WNT in cancer","Interfero
n Signaling","Mitotic G2-G2/M phases","Disorders of Nervous System Development","Signaling by NTRKs","mTORC1-mediated signalling","Response of EIF2AK1 (HRI) to heme deficiency","Signaling by TGF-beta 
Receptor Complex in Cancer","Semaphorin interactions","G alpha (q) signalling events","Glycogen breakdown (glycogenolysis)","Activation of NMDA receptors and postsynaptic events","Transcriptional Regu
lation by TP53","Toll Like Receptor 5 (TLR5) Cascade","VEGFA-VEGFR2 Pathway","RHO GTPases activate CIT","Transcriptional Regulation by VENTX","EPH-Ephrin signaling","Role of phospholipids in phagocyto
sis","G alpha (z) signalling events","Drug resistance of KIT mutants","Toll Like Receptor 2 (TLR2) Cascade","PTK6 promotes HIF1A stabilization","G0 and Early G1","G1 Phase","CaM pathway","SARS-CoV-1 I
nfection","Parasite infection","G alpha (i) signalling events","L1CAM interactions","Cargo recognition for clathrin-mediated endocytosis","NS1 Mediated Effects on Host Pathways","Golgi Associated Vesi
cle Biogenesis","Insulin receptor signalling cascade","PPARA activates gene expression","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","HIV Life Cycle","Signaling by FLT3 ITD and TKD mutants",
"PTK6 Down-Regulation","RHO GTPases activate PKNs","Toll Like Receptor 4 (TLR4) Cascade","Host Interactions of HIV factors","Drug resistance of PDGFR mutants","Mitotic Metaphase and Anaphase","Sphingo
lipid de novo biosynthesis","Oxidative Stress Induced Senescence","APC/C-mediated degradation of cell cycle proteins","PTEN Regulation","Interleukin-2 family signaling","Signaling by AMER1 mutants","I
nterferon alpha/beta signaling","G2/M Transition","Pervasive developmental disorders","Signaling by NTRK1 (TRKA)","Interleukin-1 family signaling","Negative regulation of the PI3K/AKT network","Loss o
f Function of SMAD2/3 in Cancer","SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion","Gastrin-CREB signalling pathway via PKC and MAPK","Post NMDA receptor activation events","Regulati
on of TP53 Activity","MyD88 cascade initiated on plasma membrane","EPHA-mediated growth cone collapse","Dasatinib-resistant KIT mutants","Toll Like Receptor TLR6:TLR2 Cascade","Cyclin D associated eve
nts in G1","Calmodulin induced events","SARS-CoV-1 Genome Replication and Transcription","Leishmania phagocytosis","Visual phototransduction","Recycling pathway of L1","Inhibition of PKR","IRS-mediate
d signalling","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","TP53 Regulates Transcription of DNA Repair Genes","Late Phase of HIV Life Cycle","STAT5 activation downstream of FLT3 ITD mutan
ts","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","MyD88-independent TLR4 cascade","The role of Nef in HIV-1 replication and disease pathogenesis","
Imatinib-resistant PDGFR mutants","Mitotic Anaphase","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","EPHB-mediated forward signaling","Regulation of PTEN stability and 
activity","Interleukin-2 signaling","Interleukin-15 signaling","Truncations of AMER1 destabilize the destruction complex","Regulation of IFNA signaling","Sema4D in semaphorin signaling","Centrosome ma
turation","Loss of function of MECP2 in Rett syndrome","Signalling to ERKs","Interleukin-1 signaling","Signalling to ERK5",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","SMAD2/3 Phosphorylation Mot
if Mutants in Cancer","EGFR Transactivation by Gastrin","Activation of RAC1 downstream of NMDARs","Regulation of TP53 Expression and Degradation","CREB1 phosphorylation through NMDA receptor-mediated 
activation of RAS signaling","MAP kinase activation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Replication of the SARS-CoV-1 genome","FCGR3A-mediated phagocytosis","The phototransductio
n cascade","Activation of AMPK downstream of NMDARs","PI3K Cascade","Transcription of the HIV genome","Regulation of TP53 Activity through Phosphorylation","TRIF(TICAM1)-mediated TLR4 signaling","Nef-
mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Separation of Sister Chromatids","APC/C:Cdc20 mediated degradation of mitotic proteins","Sema4D induced cel
l migration and growth-cone collapse","Loss of proteins required for interphase microtubule organization from the centrosome","Loss of phosphorylation of MECP2 at T308","Signalling to RAS","Nuclear En
velope (NE) Reassembly","Regulation of TP53 Activity through Acetylation","Long-term potentiation","Regulation of TP53 Degradation","Ras activation upon Ca2+ influx through NMDA receptor","MAPK target
s/ Nuclear events mediated by MAP kinases","RSK activation",Inactivation,"recovery and regulation of the phototransduction cascade","activated TAK1 mediates p38 MAPK activation","HIV Transcription Elo
ngation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Nef Mediated CD4 Down-regulation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","APC:Cdc20 mediated degradation of cel
l cycle proteins prior to satisfation of the cell cycle checkpoint","Loss of Nlp from mitotic centrosomes","p38MAPK events","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated h
uman TAK1","Initiation of Nuclear Envelope (NE) Reformation","PI5P Regulates TP53 Acetylation","CREB phosphorylation","ERK/MAPK targets","Tat-mediated elongation of the HIV-1 transcript","Activation o
f the AP-1 family of transcription factors","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERKs are inactivated","Formation of HIV-1 elongation complex containing HIV-1 Tat","Signaling by ERB
B2","Downregulation of ERBB2 signaling","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","FCGR3A-mediated IL10 synthesis"}

> <broad_targets>
{CDK1,CDK2,CDK4,CDK5,CDK6,CDK7,CDK8,CDK9,EGFR,PYGM}

> <broad_moa>
{"CDK inhibitor"}

> <synonyms>
{SCHEMBL1648766,"Flavopiridol hydrochloride",131740-09-5,131740095,"Alvocidib hydrochloride","Flavopiridol HCl","Alvocidib HCl","HL 275","HMR 1275",UNII-D48MS3A6N9,UNIID48MS3A6N9,"Flavopiridol (Alvoci
dib) HCl",D48MS3A6N9,"Alvocidib hydrochloride (USAN)",Flavopi,S2679}

> <pdid>
PD003362

> <targets>
{CDK}

> <classes>
{}

> <pubchem_cids>
{67107845,9910986}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    2.4283   -5.7163    0.0000 C   0  0
    3.9195   -5.8781    0.0000 C   0  0
    4.5246   -7.2506    0.0000 O   0  0
    4.8054   -4.6666    0.0000 N   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 S   0  0
   -2.5983   -3.0004    0.0000 O   0  0
   -3.8975   -2.2510    0.0000 O   0  0
   -3.8990   -0.7508    0.0000 N   0  0
   -5.1988   -1.5013    0.0000 C   0  0
   -6.4990   -0.7517    0.0000 C   0  0
   -7.7980   -1.5017    0.0000 O   0  0
    4.2566    0.5871    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9  5  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
 15 17  1  0
 17 18  2  0
 17 19  2  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
  7 24  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15746

> <plate>
PLATE 006

> <well>
F2

> <supplier_cmpd_name>
PIK-93

> <ctcr_id>
2529

> <supplier_cmpd_id>
T2616

> <smiles>
CC(=O)N=C1NC(=C(S1)c2ccc(Cl)c(c2)[S](=O)(=O)NCCO)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{IK9,PIK-93,PIK93,AKOS016362896,CCG-264899,CCG264899,CS-0203,CS0203,DB06836,SB19248,NCGC00346536-01,NCGC0034653601,NCGC00346536-06,NCGC0034653606,AC-32793,AC32793,AS-16222,AS16222,HY-12046,HY12046,SMR
004702780,FT-0761476,FT0761476,SW219245-1,SW2192451,X7414,W-5546,W5546,960P113,J-523090,J523090,Q27088391,593960-11-3,593960113,"PIK 93",CHEMBL1229535,N-(5-(4-CHLORO-3,N(5(4CHLORO3,S1489}

> <pdid>

> <targets>
{PI3K,VEGFR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{6852167}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 21 24  0  0  0  0            999 V2000
    4.9531   -1.9978    0.0000 N   0  0
    4.2010   -3.2956    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.7171    0.9385    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  1  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  4 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 12  1  0
 21 16  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15747

> <plate>
PLATE 006

> <well>
F3

> <supplier_cmpd_name>
LY-364947

> <ctcr_id>
11450

> <supplier_cmpd_id>
T2048

> <smiles>
[nH]1ncc(c1c1ccccn1)c1ccnc2ccccc12

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Y36494,396129-53-6,396129536,LY-364947,LY364947,4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)quinoline,4(3(pyridin2yl)1Hpyrazol4yl)quinoline,4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE,4(3PYRIDIN2YL1HPYRAZOL4
YL)QUINOLINE,"TGF-beta RI Kinase Inhibitor","TGFbeta RI Kinase Inhibitor","HTS 466284","TbetaR-I Inhibitor","TbetaRI Inhibitor","LY 364947",HTS-466284,HTS466284,CHEMBL261454,4-(3-pyridin-2-yl)(1h),4(3
pyridin2yl)(1h),T2048}

> <pdid>

> <targets>
{CK1¦Ä,MLK-7K,TGF¦ÂRI,TGF¦ÂRII,RIPK2}

> <classes>
{Metabolism,Apoptosis,MAPK,"Stem Cells"}

> <pubchem_cids>
{447966}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 29  0  0  1  0            999 V2000
   -0.0041   -2.9953    0.0000 C   0  0
    1.2925   -3.7494    0.0000 C   0  0
    1.2873   -5.2494    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2570    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 N   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 C   0  0
    3.9020    3.7405    0.0000 C   0  0
    5.1985    2.9860    0.0000 Cl  0  0
    2.6004    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6580   -2.9476    0.0000 C   0  0
   -2.1885   -3.7539    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  1
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 12  1  0
 10 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 22 26  1  0
 26 19  1  0
 26 27  2  0
 27  8  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15748

> <plate>
PLATE 006

> <well>
F4

> <supplier_cmpd_name>
Purvalanol A

> <ctcr_id>
7683

> <supplier_cmpd_id>
T2059

> <smiles>
CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c3ncn(C(C)C)c3n1

> <pd_targets>
{KMT2A,MEN1,STAT6,CDK1,MAPK3,SRC,CDK2,CDK4,CCNA1,CCNA2,CCND1,CDC28,CDK5,CDK5R1,MAPK1,MAPT,CYP1A2,PAK4,CCNE1,CCNE2,DYRK1A,LEF,CYP3A4,CYP2D6,INSR,KDM4E,HIF1A,CCNB1,TSHR,RORC,PFMRK,HSD17B10,CYP2C9,CCNB2,
CCNB3,PRKACA,PRKACB,PRKACG,CYP2C19,ALDH1A1}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor",Enzyme,"Other cytosolic protein","Membrane receptor",Reader,Kinase,"Cytochrome P450",Protease,Eraser,"Family A G protein-coupled receptor","Nuclear recep
tor",Oxidoreductase,Bromodomain,"Protein Kinase","Cytochrome P450 family 1","Metallo protease","Cytochrome P450 family 3","Cytochrome P450 family 2","Lysine demethylase","Peptide receptor (family A GP
CR)","Nuclear hormone receptor subfamily 1","Cysteine protease","CMGC protein kinase group","TK protein kinase group","Cytochrome P450 family 1A","STE protein kinase group","Metallo protease MAE clan"
,"Cytochrome P450 family 3A","Cytochrome P450 family 2D","Jumonji domain-containing","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 2C","AGC protein kin
ase group","Cysteine protease CA clan","CMGC protein kinase CDK family","CMGC protein kinase MAPK family","Tyrosine protein kinase Src family","Cytochrome P450 1A1","STE protein kinase STE20 family","
CMGC protein kinase DYRK family","Metallo protease M34 family","Cytochrome P450 3A4","Cytochrome P450 2D6","Tyrosine protein kinase InsR family","Nuclear hormone receptor subfamily 1 group F member 3"
,"Cytochrome P450 2C9","AGC protein kinase PKA family","Cysteine protease C1A family","Cytochrome P450 2C19","CMGC protein kinase CDC2 subfamily","CMGC protein kinase ERK1","CMGC protein kinase CDK2",
"STE protein kinase PAKB subfamily","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase CDK5 subfamily"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,"Transcription factors","Kinases (EC 2.7.x.x)","Catalytic receptors","Cytochrome P450","Chromatin modifying enzymes","G protein-coupled receptors","Nuclear h
ormone receptors","STAT transcription factors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","CYP1 family","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CY
P3 family","CYP2 family: drug metabolising subset","1.14.11.- Histone demethylases","Glycoprotein hormone receptors","1F. Retinoic acid-related orphans","Cyclin-dependent kinase (CDK) family","Mitogen
-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","STE20 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CDK1 subfamily","ERK subfamily","Non-rece
ptor tyrosine kinases (nRTKs)","CDK4 subfamily","PAKB subfamily","Dyrk1 subfamily","CDK5 subfamily","Receptor tyrosine kinases (RTKs)","Src family","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Signal Transduction","Gene expression (Transcription)","Neuronal System",Metabolism,"Developmental Biology",Disease,"Cellular responses to external stimuli","Innate Immu
ne System",Mitotic,"Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Biological oxidations","Nervous system development","Infectious d
isease","Metabolism of lipids","Intracellular signaling by second messengers","Cellular responses to stress","Metabolism of amino acids and derivatives","Cytosolic sensors of pathogen-associated DNA",
"Regulation of mitotic cell cycle","Toll-like Receptor Cascades","Signaling by NTRKs","Generic Transcription Pathway","Mitotic G1 phase and G1/S transition","Neurotransmitter receptors and postsynapti
c signal transmission","Phase I - Functionalization of compounds","Axon guidance","Uptake and actions of bacterial toxins","Biosynthesis of specialized proresolving mediators (SPMs)","PIP3 activates A
KT signaling","Cellular response to hypoxia","Leishmania infection","Branched-chain amino acid catabolism","STING mediated induction of host immune responses","APC/C-mediated degradation of cell cycle
 proteins","Toll Like Receptor 5 (TLR5) Cascade","Signaling by NTRK1 (TRKA)","Transcriptional Regulation by TP53","G1 Phase","Activation of NMDA receptors and postsynaptic events","Cytochrome P450 - a
rranged by substrate type","Signaling by ROBO receptors","G0 and Early G1","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPMs","Negative regulation of the PI3K/AKT network","Oxy
gen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Leishmania parasite growth and survival","Transcriptional regulation by RUNX3","Ethanol oxidation","STAT6-mediated induction of 
chemokines","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","MyD88 cascade initiated on plasma membrane","Signalling to ERKs","Regulation of TP53 Activity","Cyclin D ass
ociated events in G1","Post NMDA receptor activation events",Xenobiotics,"Activation of RAC1","Biosynthesis of maresins",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Anti-inflammatory response fa
vouring Leishmania parasite infection","RUNX3 Regulates Immune Response and Cell Migration","APC/C:Cdc20 mediated degradation of mitotic proteins","MAP kinase activation","Signalling to RAS","Regulati
on of TP53 Expression and Degradation","Activation of AMPK downstream of NMDARs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Regulation of TP53 Activity through Phosphorylation
","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","ADORA2B mediated anti-inflammatory cytokines production","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the ce
ll cycle checkpoint","MAPK targets/ Nuclear events mediated by MAP kinases","p38MAPK events","Regulation of TP53 Degradation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERK/MAPK targets",
"ERKs are inactivated"}

> <broad_targets>
{CDK1,CDK2,CDK4,CDK5,CSNK1G3,RPS6KA1,SRC}

> <broad_moa>
{"CDK inhibitor"}

> <synonyms>
{"purvalanol A",212844-53-6,212844536,Purv,2-(1R-Isopropyl-2-hydroxyethylamino)-6-(3-chloroanilino)-9-isopropylpurine,2(1RIsopropyl2hydroxyethylamino)6(3chloroanilino)9isopropylpurine,6-((3-chloro)ani
lino)-2-(isopropyl-2-hydroxyethylamino)-9-isopropylpurine,6((3chloro)anilino)2(isopropyl2hydroxyethylamino)9isopropylpurine,CHEMBL23327,UNII-YP483E75C4,UNIIYP483E75C4,NG-60,NG60,CHEBI:47600,"NG 60",YP
483E75,1580,"Purvalanol A"}

> <pdid>
PD006424

> <targets>
{cdk}

> <classes>
{}

> <pubchem_cids>
{456214}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 16 18  0  0  0  0            999 V2000
    4.6379    5.2745    0.0000 O   0  0
    4.3481    3.8028    0.0000 C   0  0
    2.9286    3.3180    0.0000 C   0  0
    2.6395    1.8472    0.0000 C   0  0
    3.7691    0.8603    0.0000 C   0  0
    3.1796   -0.5190    0.0000 S   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 S   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.4008   -2.9088    0.0000 O   0  0
    5.1878    1.3442    0.0000 C   0  0
    5.4777    2.8159    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  4  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  7  1  0
 13 14  2  0
  5 15  1  0
 15 16  2  0
 16  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15749

> <plate>
PLATE 006

> <well>
F5

> <supplier_cmpd_name>
kb NB 142-70

> <ctcr_id>
11451

> <supplier_cmpd_id>
T2062

> <smiles>
Oc1cc2c(sc3c2SCCNC3=O)cc1

> <pd_targets>
{PRKD3,PRKD1,PRKD2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase PKD family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","Protein kinase D (PKD) family"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Sphingolipid metabolism","Sphingolipid de novo biosynthesis"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"B NB 1427","kb NB 142-70","kb NB 14270",1233533-04-4,1233533044,kb-NB142-70,kbNB14270,"3,4-Dihydro-9-hydroxy-(1)benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one","3,4Dihydro9hydroxy(1)benzothieno(2,3f)1,4
thiazepin5(2H)one",CHEMBL1672571,"3,4-Dihydro-9-hydroxy-(1)benzothieno-(2,3-f)-1,4-thiazepin-5(2H)-one",9-hydroxy-3,9hydroxy3,4-dihydro-2H-(1)benzothiolo(2,4dihydro2H(1)benzothiolo(2,3-,3,T2062}

> <pdid>
PD012564

> <targets>
{PKD1,PKD2,PKD3,PKD}

> <classes>
{Apoptosis}

> <pubchem_cids>
{45258277}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
    6.4894   -3.7601    0.0000 C   0  0
    6.4889   -5.2601    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4833   -9.7648    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.6012    3.0008    0.0000 N   0  0
   -3.9020    3.7494    0.0000 C   0  0
   -4.0450    5.2297    0.0000 C   0  0
   -5.5133    5.5365    0.0000 C   0  0
   -6.1303    6.9018    0.0000 C   0  0
   -7.6237    7.0513    0.0000 C   0  0
   -8.4990    5.8332    0.0000 O   0  0
   -8.2418    8.4190    0.0000 N   0  0
   -9.7351    8.5685    0.0000 C   0  0
  -10.3548    9.9345    0.0000 C   0  0
  -11.8477   10.0809    0.0000 C   0  0
  -12.7209    8.8613    0.0000 C   0  0
  -12.1013    7.4953    0.0000 C   0  0
  -12.9745    6.2756    0.0000 F   0  0
  -10.6084    7.3488    0.0000 C   0  0
   -6.2588    4.2348    0.0000 N   0  0
   -5.2512    3.1236    0.0000 N   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  3  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 24  1  0
 19 31  1  0
 31 32  1  0
 32 17  2  0
 15 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 14  1  0
 36 37  2  0
 37 11  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15750

> <plate>
PLATE 006

> <well>
F6

> <supplier_cmpd_name>
Barasertib

> <ctcr_id>
5723

> <supplier_cmpd_id>
T2602

> <smiles>
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1

> <pd_targets>
{MAP2K2,ABL1,KIT,RET,FLT1,CHEK2,ERBB4,CDK13,EGFR,LYN,CDK16,KDR,AURKA,FLT3,MAP3K20,CDK11B,MUSK,IRAK3,SRMS,STK36,AURKB,AURKC,AXL,BLK,ERBB2,LTK,PAK1,LCK,PDGFRB,RPS6KB1,CDK11A,PDGFRA,TEK,CIT,AAK1,YES1,MAP
3K7,BTK,TNIK,PLK4,HCK,RIPK2,DSTYK,CSK,FLT4,MET,MKNK2,TTK,CSF1R,CDK7,MAP2K1,ANKK1,STK10,CDKL2,HIPK3,EIF2AK1,HIPK2,TIE1,MAP4K4,MAP4K5,MAP3K19,DDR1,HIPK4,TUBA1A,EPHB6,MAP4K2,MAP2K5,CSNK1D,DDR2,MST1R,ZAP7
0}

> <pathway_gtopdb>
{Enzyme,"Structural protein","Unclassified protein",Kinase,"Protein Kinase","STE protein kinase group","TK protein kinase group","CAMK protein kinase group","CMGC protein kinase group","Other protein 
kinase group","TKL protein kinase group","AGC protein kinase group","CK1 protein kinase group","STE protein kinase STE7 family","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR fami
ly","Tyrosine protein kinase Ret family","Tyrosine protein kinase VEGFR family","CAMK protein kinase RAD53 family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","CMGC prot
ein kinase CDK family","Other protein kinase AUR family","TKL protein kinase MLK family","Tyrosine protein kinase Musk family","TKL protein kinase IRAK family","Other protein kinase ULK family","Tyros
ine protein kinase Axl family","Tyrosine protein kinase Alk family","STE protein kinase STE20 family","AGC protein kinase RSK family","Tyrosine protein kinase Tie family","AGC protein kinase DMPK fami
ly","Other protein kinase NAK family","Tyrosine protein kinase Tec family","Other protein kinase PLK family","TKL protein kinase RIPK family","Tyrosine protein kinase Csk family","Tyrosine protein kin
ase Met family","CAMK protein kinase MAPKAPK family","Other protein kinase TTK family","CMGC protein kinase CDKL family","CMGC protein kinase DYRK family","Other protein kinase PEK family","STE protei
n kinase STE11 family","Tyrosine protein kinase DDR family","CK1 protein kinase CK1 family","Tyrosine protein kinase Syk family","CMGC protein kinase TAIRE subfamily","TKL protein kinase MLK subfamily
","CMGC protein kinase PITSLRE subfamily","Tyrosine protein kinase Srm","STE protein kinase PAKA subfamily","AGC protein kinase p70 subfamily","AGC protein kinase CRIK subfamily","TKL protein kinase T
AK1 subfamily","STE protein kinase MSN subfamily","CAMK protein kinase MNK subfamily","CMGC protein kinase CDK7 subfamily","STE protein kinase SLK subfamily","CMGC protein kinase HIPK subfamily","Othe
r protein kinase HRI","STE protein kinase KHS subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Kinases (EC 2.7.x.x)","Catalytic receptors",Tubulins,"STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Receptor kinases","CAMK: Calcium/
calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase 1","STE7 family","TK: Tyrosine kinase","CAMK-like (CA
MKL) family","Cyclin-dependent kinase (CDK) family","Other protein kinases","TKL: Tyrosine kinase-like","STE20 family","RSK family","DMPK family","MAPK-Activated Protein Kinase (MAPKAPK) family","Cycl
in-dependent kinase-like (CDKL) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Casein kinase 1 (CK1) family","Non-receptor tyrosine kinases (nRTKs)","Receptor 
tyrosine kinases (RTKs)","CHK1 subfamily","CRK7 subfamily","TAIRE subfamily","Aurora kinase (Aur) family","Mixed Lineage Kinase (MLK) family","PITSLRE subfamily","Interleukin-1 receptor-associated kin
ase (IRAK) family","Unc-51-like kinase (ULK) family","PAKA subfamily","p70 subfamily","Other DMPK family kinases","NAK family","MSN subfamily","Polo-like kinase (PLK) family","Receptor interacting pro
tein kinase (RIPK) family","Other-unique family","MKN subfamily","TTK family","CDK7 subfamily","SLK subfamily","HIPK subfamily","PEK family","KHS subfamily","STE20 subfamily","Abl family","Type III RT
Ks: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family",
"Src family","MLK subfamily","Type IX RTKs: MuSK","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XII RTKs: TIE fa
mily of angiopoietin receptors","TAK1 subfamily","Tec family","Csk family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Other PEK family kinases","Type XVI RTKs: DDR (collagen recept
or) family","Type XIII RTKs: Ephrin receptor family","Syk family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Developmental Biology","Gene expression (Transcription)","Neuronal System","Cell Cycle","Extracellular matrix organization","Immune System","Vesicle-mediated transport"
,"Cellular responses to external stimuli","Signaling by Receptor Tyrosine Kinases","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","Nervous syst
em development","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Signaling by GPCR",Mitotic,"ECM proteoglycans","Innate Immune System","Signaling by Non-Receptor Tyrosine Kin
ases","Intracellular signaling by second messengers","MTOR signalling","MAPK family signaling cascades","Signaling by Rho GTPases","Membrane Trafficking","Cellular responses to stress","Non-integrin m
embrane-ECM interactions","Adaptive Immune System","Signaling by NTRKs","Leishmania infection","Signaling by KIT in disease","Axon guidance","Signaling by VEGF","Generic Transcription Pathway","Neurot
ransmitter receptors and postsynaptic signal transmission","GPCR downstream signalling","Signaling by Insulin receptor","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","Signaling by PTK6","M Ph
ase","HIV Infection","PIP3 activates AKT signaling","mTORC1-mediated signalling","Signaling by PDGFR in disease","MAPK1/MAPK3 signaling","RHO GTPase Effectors","Clathrin-mediated endocytosis","Cellula
r Senescence","Oncogenic MAPK signaling","Neutrophil degranulation","Response of EIF2AK1 (HRI) to heme deficiency","Signaling by MST1","TCR signaling","Signaling by NTRK1 (TRKA)","Parasite infection",
"Drug resistance of KIT mutants","RET signaling","VEGF ligand-receptor interactions","Transcriptional Regulation by TP53","Activation of NMDA receptors and postsynaptic events","G alpha (q) signalling
 events","Leishmania parasite growth and survival","VEGFA-VEGFR2 Pathway","Insulin receptor signalling cascade","G2/M Transition","Toll Like Receptor 2 (TLR2) Cascade","PTK6 Down-Regulation","Mitotic 
Metaphase and Anaphase","Transcriptional regulation by RUNX1","Semaphorin interactions","EPH-Ephrin signaling","Host Interactions of HIV factors","Negative regulation of the PI3K/AKT network","Drug re
sistance of PDGFR mutants","RAF/MAP kinase cascade","RHO GTPases activate CIT","Cargo recognition for clathrin-mediated endocytosis","Toll Like Receptor 4 (TLR4) Cascade","Oxidative Stress Induced Sen
escence","Toll Like Receptor 5 (TLR5) Cascade","Signaling by RAS mutants","Transcriptional Regulation by VENTX","HIV Life Cycle","Generation of second messenger molecules","Signalling to ERKs","Leishm
ania phagocytosis","Dasatinib-resistant KIT mutants","VEGF binds to VEGFR leading to receptor dimerization","Regulation of TP53 Activity","Post NMDA receptor activation events","TP53 Regulates Transcr
iption of DNA Repair Genes","Gastrin-CREB signalling pathway via PKC and MAPK","Anti-inflammatory response favouring Leishmania parasite infection","VEGFR2 mediated cell proliferation","IRS-mediated s
ignalling","Centrosome maturation","Toll Like Receptor TLR6:TLR2 Cascade","Mitotic Anaphase","RUNX1 regulates transcription of genes involved in BCR signaling","Sema4D in semaphorin signaling","EPHB-m
ediated forward signaling","The role of Nef in HIV-1 replication and disease pathogenesis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Imatinib-resistant PDGFR mutants","MyD88-independent TLR4 c
ascade","MyD88 cascade initiated on plasma membrane","Signaling downstream of RAS mutants","Late Phase of HIV Life Cycle","Signalling to ERK5","Prolonged ERK activation events","FCGR3A-mediated phagoc
ytosis","Regulation of TP53 Expression and Degradation","Long-term potentiation","EGFR Transactivation by Gastrin","FCGR3A-mediated IL10 synthesis","Regulation of TP53 Activity through Phosphorylation
","PI3K Cascade","Recruitment of mitotic centrosome proteins and complexes","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Separation of Sister Chromatids","Sema4D induced cell migration and
 growth-cone collapse","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","TRIF(TICAM1)-mediated TLR4 signaling","Loss of proteins required for interphase
 microtubule organization from the centrosome","Nef and signal transduction","MAP kinase activation","Sema4D mediated inhibition of cell attachment and migration","Transcription of the HIV genome","Fr
s2-mediated activation","Regulation of TP53 Degradation","Nef Mediated CD4 Down-regulation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Loss of Nlp from mitotic centrosomes","activ
ated TAK1 mediates p38 MAPK activation","HIV Transcription Elongation","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NSC799356,s1147,ZINC16697102,AKOS025404840,BDBM50466808,MFCD10687152,NSC757444,722544-51-6,722544516,AZD1152-HQPA,AZD1152HQPA,AZD-1152HQPA,"Barasertib (AZD1152-HQPA)","Barasertib (AZD1152HQPA)",baras
ertib-hQPA,barasertibhQPA,UNII-29P8LWS24N,UNII29P8LWS24N,AZD-1152-HQPA,"INH 34","AZD1152 HPQA",29P8LWS24N,CHEMBL215152,INH-34,INH34,Bar,T2602,S1147,Barasertib,barasertib,AZD1152-HQPA(Barasertib)}

> <pdid>
PD003227

> <targets>
{Aurora B,Aurora,Aurora Kinase,Apoptosis}

> <classes>
{Cell Cycle,Apoptosis,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{16007391}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    1.6317   -2.2458    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -0.0031    2.7742    0.0000 N   0  0
   -1.3040    3.5228    0.0000 C   0  0
   -2.6017    2.7705    0.0000 O   0  0
   -1.3071    5.0236    0.0000 N   0  0
   -0.0936    5.8834    0.0000 C   0  0
   -0.5571    7.3100    0.0000 C   0  0
   -2.0571    7.3100    0.0000 C   0  0
   -2.5206    5.8834    0.0000 C   0  0
   -3.9429    5.4124    0.0000 C   0  0
   -5.0639    6.4090    0.0000 O   0  0
   -4.2459    3.9433    0.0000 N   0  0
   -1.2135    0.3943    0.0000 S   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6321   -2.2464    0.0000 C   0  0
   -3.1114   -2.3441    0.0000 C   0  0
   -3.4619   -3.8026    0.0000 S   0  0
   -2.1831   -4.5866    0.0000 C   0  0
   -1.0423   -3.6127    0.0000 N   0  0
   -2.0659   -6.0803    0.0000 C   0  0
   -3.3018   -6.9304    0.0000 C   0  0
   -0.7120   -6.7259    0.0000 C   0  0
   -1.9479   -7.5756    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  8  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
  4 16  1  0
 16 17  1  0
 17  2  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 18  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15751

> <plate>
PLATE 006

> <well>
F7

> <supplier_cmpd_name>
A66

> <ctcr_id>
1915

> <supplier_cmpd_id>
T2418

> <smiles>
Cc1nc(NC(=O)N2CCCC2C(=O)N)sc1c3csc(n3)C(C)(C)C

> <pd_targets>
{PIK3CB,PIK3CG,PIK3C2B,PIK3CA,PIK3CD}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidylinositol-4-phosphate 3-kinase family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,Disease,"Immune System","Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second messeng
ers","Cytokine Signaling in Immune system","Signaling by Insulin receptor","Phospholipid metabolism","Signaling by FGFR in disease","Signaling by Interleukins","Insulin receptor signalling cascade","P
I Metabolism","Signaling by FGFR1 in disease",Interleukin-3,"Interleukin-5 and GM-CSF signaling","IRS-mediated signalling","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor activation"
,"Interleukin receptor SHC signaling","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
{PIK3CA}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{SCHEMBL12700770,HMS3656L07,HMS3672C17,AKOS026750475,NCGC00389613-01,NCGC0038961301,AK279970,SY-A66,S2636,A66}

> <pdid>
PD010905

> <targets>
{PI3K,PIK3,"alpha PIK3CA"}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{74832860}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 N   0  0
   -0.7600   -8.0526    0.0000 C   0  0
   -1.7600   -9.1707    0.0000 C   0  0
   -1.2918  -10.5957    0.0000 C   0  0
    0.1764  -10.9028    0.0000 C   0  0
    0.6478  -12.3277    0.0000 N   0  0
    2.1173  -12.6328    0.0000 C   0  0
    2.5905  -14.0562    0.0000 C   0  0
    4.0598  -14.3582    0.0000 C   0  0
    5.0560  -13.2368    0.0000 N   0  0
    4.5828  -11.8133    0.0000 C   0  0
    3.1136  -11.5114    0.0000 C   0  0
    1.1765   -9.7848    0.0000 C   0  0
    0.7083   -8.3597    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  3  1  0
 11  6  1  0
  1 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 16 24  1  0
 24 25  2  0
 25 13  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15752

> <plate>
PLATE 006

> <well>
F8

> <supplier_cmpd_name>
Serdemetan

> <ctcr_id>
3815

> <supplier_cmpd_id>
T2243

> <smiles>
C(Cc1c[nH]c2ccccc12)Nc3ccc(Nc4ccncc4)cc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{MDM2}

> <broad_moa>
{"MDM inhibitor"}

> <synonyms>
{Serdemetan,881202-45-5,881202455,"N1-(2-(1H-Indol-3-yl)ethyl)-N4-(pyridin-4-yl)benzene-1,4-diamine","N1(2(1HIndol3yl)ethyl)N4(pyridin4yl)benzene1,4diamine",JNJ-26854165,JNJ26854165,"JNJ-26854165 (Ser
demetan)","JNJ26854165 (Serdemetan)","JNJ 26854165",UNII-ID6YB4W3V8,UNIIID6YB4W3V8,ID6YB4W3V8,C21H20N4,1-N-(2-(1H-indol-3-yl)ethyl)-4-N-pyridin-4-ylbenzene-1,1N(2(1Hindol3yl)ethyl)4Npyridin4ylbenzene1
,T2243,16259,S1172,serdemetan,"JNJ 26854165 (Serdemetan)"}

> <pdid>
PD011105

> <targets>
{E3 Ligase,p53,Apoptosis,E1/E2/E3 Enzyme,MDM-2/p53}

> <classes>
{Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{11609586}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 33  0  0  0  0            999 V2000
   15.2283    0.1518    0.0000 C   0  0
   13.7595   -0.1527    0.0000 C   0  0
   13.2892   -1.5770    0.0000 C   0  0
   12.7602    0.9671    0.0000 O   0  0
   11.2906    0.6625    0.0000 C   0  0
   10.2903    1.7803    0.0000 C   0  0
    8.8221    1.4728    0.0000 C   0  0
    8.3542    0.0476    0.0000 C   0  0
    9.3546   -1.0701    0.0000 C   0  0
   10.8228   -0.7626    0.0000 C   0  0
    6.8858   -0.2623    0.0000 C   0  0
    5.8837    0.8539    0.0000 C   0  0
    4.4160    0.5441    0.0000 N   0  0
    3.9504   -0.8818    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7345   -2.9814    0.0000 C   0  0
    4.2013   -3.2954    0.0000 N   0  0
    4.9525   -1.9980    0.0000 N   0  0
    6.4202   -1.6882    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 14  1  0
 18 19  1  0
 19 11  2  0
 15 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 20  1  0
 29 24  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15753

> <plate>
PLATE 006

> <well>
F9

> <supplier_cmpd_name>
DMH1

> <ctcr_id>
7915

> <supplier_cmpd_id>
T1942

> <smiles>
CC(C)Oc1ccc(cc1)c2cnc3c(cnn3c2)c4ccnc5ccccc45

> <pd_targets>
{ACVR1,ACVRL1,BMPR1A,ACVR1B,BMPR1B,TGFBR1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","TKL protein kinase STKR family","TKL protein kinase STKR1","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TKL: Tyrosine kinase-like","Receptor serine/threonine kinase (RSTK) family","Type I receptor serine/threonine kinases"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology",Disease,"Signaling by TGFB family members","Signaling by NODAL","Diseases of signal transduction by growth factor receptors and second messengers","Signa
ling by BMP","Regulation of signaling by NODAL","Signaling by TGF-beta Receptor Complex in Cancer","Loss of Function of SMAD2/3 in Cancer","SMAD2/3 Phosphorylation Motif Mutants in Cancer"}

> <broad_targets>
{ACVR1}

> <broad_moa>
{"ALK tyrosine kinase receptor inhibitor"}

> <synonyms>
{MH,DMH-1,DMH1,1206711-16-1,1206711161,"4-(6-(4-propan-2-yloxyphenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline","4(6(4propan2yloxyphenyl)pyrazolo(1,5a)pyrimidin3yl)quinoline","DMH 1","4-(6-(4-(1-Methyle
thoxy)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)-quinoline","4(6(4(1Methylethoxy)phenyl)pyrazolo(1,5a)pyrimidin3yl)quinoline",C24H20N4O,CHEBI:86289,4-(6-(4-isopropoxyphenyl)pyrazolo(1,4(6(4isopropoxyphenyl
)pyrazolo(1,5-a)pyrimidin,5a)pyrimidin,T1942,S7146}

> <pdid>
PD010597

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{50997747}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 33  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -0.0136    6.0070    0.0000 O   0  0
   -0.0210    7.5070    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -5.2081    5.9890    0.0000 C   0  0
   -6.5058    5.2368    0.0000 O   0  0
   -5.2112    7.4898    0.0000 N   0  0
   -6.5102    8.2399    0.0000 C   0  0
   -6.5102    9.7399    0.0000 C   0  0
   -5.2111   10.4899    0.0000 O   0  0
   -3.9121    9.7399    0.0000 C   0  0
   -3.9121    8.2399    0.0000 C   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -5.1985    2.9859    0.0000 F   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2986   -3.7517    0.0000 F   0  0
    1.2993   -3.7504    0.0000 F   0  0
    0.0007   -4.5008    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 13 22  1  0
 22 23  1  0
 22 24  2  0
 24  8  1  0
  6 25  2  0
 25 26  1  0
 26 27  2  0
 27  4  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15754

> <plate>
PLATE 006

> <well>
F10

> <supplier_cmpd_name>
GNE7915

> <ctcr_id>
11452

> <supplier_cmpd_id>
T1945

> <smiles>
CCNc1nc(Nc2c(OC)cc(C(=O)N3CCOCC3)c(F)c2)ncc1C(F)(F)F

> <pd_targets>
{TTK,LRRK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","TKL protein kinase group","Other protein kinase TTK family","TKL protein kinase LRRK family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","Other protein kinases","TKL: Tyrosine kinase-like","TTK family","Leucine-rich repeat kinase (LRRK) family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Non-Receptor Tyrosine Kinases","Signaling by PTK6","PTK6 promotes HIF1A stabilization"}

> <broad_targets>
{}

> <broad_moa>
{"leucine rich repeat kinase inhibitor"}

> <synonyms>
{GNE-7915,GNE7915,1351761-44-8,1351761448,"GNE 7915",CHEMBL2178134,GTPL8073,SCHEMBL7456100,HMS3653J13,HMS3674E09,AOB87767,BCP09873,EX-A1001,EXA1001,BDBM50398668,MFCD25977005,s7528,ZINC95578650,AKOS026
750276,CCG-269162,CCG269162,SB19411,NCGC00386346-05,NCGC0038634605,AK474042,AS-17060,AS17060,DA-3360,DA3360,T1945}

> <pdid>
PD003214

> <targets>
{LRRK2}

> <classes>
{Autophagy}

> <pubchem_cids>
{58539171}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    9.0976   -3.7432    0.0000 F   0  0
    7.7985   -2.9932    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 F   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18  8  1  0
 18 12  1  0
  5 19  1  0
 19 20  2  0
 20  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15755

> <plate>
PLATE 006

> <well>
F11

> <supplier_cmpd_name>
Spautin-1

> <ctcr_id>
8352

> <supplier_cmpd_id>
T1937

> <smiles>
Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1

> <pd_targets>
{USP10,USP13,PIK3C3}

> <pathway_gtopdb>
{Enzyme,Protease,Transferase,"Cysteine protease","Cysteine protease CA clan","Cysteine protease C19 family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases","Phosphatidylinositol 3-kinase family"}

> <pathway_reactome>
{"DNA Repair","Signal Transduction","DNA Damage Bypass","Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases","Translesion synthesis by Y family DNA polymerases bypas
ses lesions on DNA template","PIP3 activates AKT signaling","Signaling by Insulin receptor","Termination of translesion DNA synthesis","PTEN Regulation","Insulin receptor signalling cascade","Regulati
on of PTEN stability and activity","IRS-mediated signalling","PI3K Cascade"}

> <broad_targets>
{USP10,USP13}

> <broad_moa>
{"deubiquitinase inhibitor"}

> <synonyms>
{PAUTIN,Spautin-1,Spautin1,1262888-28-7,1262888287,6-Fluoro-N-(4-fluorobenzyl)quinazolin-4-amine,6FluoroN(4fluorobenzyl)quinazolin4amine,"Spautin 1",6-fluoro-N-((4-fluorophenyl)methyl)quinazolin-4-ami
ne,6fluoroN((4fluorophenyl)methyl)quinazolin4amine,CHEMBL2391504,6-Fluoro-N-((4-Fluorophenyl)methyl)-4-quinazolinamine,6FluoroN((4Fluorophenyl)methyl)4quinazolinamine,4-Quinazolinamine,4Quinazolinamin
e,6-fluoro-N-((4-fluorop,6fluoroN((4fluorop,T1937,5197}

> <pdid>
PD003300

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{51037431}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    6.4850   -8.2603    0.0000 C   0  0
    5.1876   -7.5074    0.0000 C   0  0
    3.8872   -8.2549    0.0000 C   0  0
    5.1845   -9.0074    0.0000 C   0  0
    5.1900   -6.0066    0.0000 N   0  0
    3.8919   -5.2533    0.0000 S   0  0
    2.5915   -6.0008    0.0000 O   0  0
    3.8888   -6.7533    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 N   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 N   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
 23 24  1  0
 24 19  1  0
 24 25  1  0
 25 15  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15756

> <plate>
PLATE 006

> <well>
G2

> <supplier_cmpd_name>
CZC24832

> <ctcr_id>
5049

> <supplier_cmpd_id>
T1949

> <smiles>
CC(C)(C)NS(=O)(=O)c1cncc(c1)c2cc(F)c3nc(N)nn3c2

> <pd_targets>
{PIK3CG,PIK3CD,PIK3CB}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{Metabolism,"Immune System","Signal Transduction","Metabolism of lipids","Cytokine Signaling in Immune system","Signaling by Receptor Tyrosine Kinases","Phospholipid metabolism","Signaling by Interleu
kins","Signaling by Insulin receptor","PI Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Insulin receptor signalling cascade","Synthesis of PIPs at the plasma membrane","Interleukin r
eceptor SHC signaling","IRS-mediated signalling","PI3K Cascade"}

> <broad_targets>
{PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{CZC24832,1159824-67-5,1159824675,"CZC 24832",CZC-24832,CHEMBL2064571,SCHEMBL936070,GTPL6653,AOB4312,DTXSID50655226,HMS3652D16,BCP08888,EX-A2044,EXA2044,BDBM50389420,FD5029,MFCD22417090,s7018,ZINC8470
8455,AKOS024458285,CCG-268214,CCG268214,CS-0710,CS0710,SB17239,NCGC00379179-07,NCGC0037917907,AS-7,AS7,T1949,S7018}

> <pdid>
PD003251

> <targets>
{PI3K,"Product Categories PI3K/Akt/mTORPI3K PI3K"}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{42623951}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
   13.2524   -0.5550    0.0000 Cl  0  0
   10.7524   -0.5550    0.0000 Cl  0  0
    6.4878   -5.2574    0.0000 N   0  0
    6.4934   -3.7574    0.0000 C   0  0
    6.8046   -2.3560    0.0000 C   0  0
    8.2524   -2.7481    0.0000 C   0  0
    7.8603   -4.1959    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -4.0238    3.4635    0.0000 C   0  0
   -4.4873    4.8901    0.0000 O   0  0
   -4.9055    2.2500    0.0000 N   0  0
   -4.0238    1.0365    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  4  1  0
  4  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  2  3
 24 19  1  0
 24 25  1  0
 25 16  2  0
 25 26  1  0
 26 27  2  0
 27 14  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15757

> <plate>
PLATE 006

> <well>
G3

> <supplier_cmpd_name>
MK-2206 dihydrochloride

> <ctcr_id>
1270

> <supplier_cmpd_id>
T1952

> <smiles>
Cl.Cl.NC1(CCC1)c2ccc(cc2)c3nc4C=CN5C(=O)NN=C5c4cc3c6ccccc6

> <pd_targets>
{AKT1,AKT3,AKT2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase AKT family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","Akt (Protein kinase B","PKB) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Generic Transcription Pathway","Signaling by Insulin receptor","Tra
nscriptional Regulation by TP53","Insulin receptor signalling cascade","Regulation of TP53 Activity","IRS-mediated signalling","Regulation of TP53 Expression and Degradation","PI3K Cascade","Regulatio
n of TP53 Degradation","PKB-mediated events","PDE3B signalling"}

> <broad_targets>
{AKT1,AKT2,AKT3}

> <broad_moa>
{"AKT inhibitor"}

> <synonyms>
{K220,1032350-13-2,1032350132,"MK-2206 dihydrochloride","MK2206 dihydrochloride","MK-2206 2HCl","MK2206 2HCl",MK2206,"MK-2206 HCl salt","MK2206 HCl salt",UNII-Q34I3E28IO,UNIIQ34I3E28IO,"MK 2206",Q34I3
E28IO,C25H21N5O,"MK 2206 2HCl","AHU377 calcium salt",PubChem22473,1032349-77-1,1032349771,"MK 2206 dihydrochloride",C25H21N5O.HCl,cc-295,cc295,C25H21N5O.,T1952,S1078,"MK-2206 2HCl",MK-2206,"MK-2206 (d
ihydrochloride)"}

> <pdid>
PD003288

> <targets>
{Akt,AKT,Apoptosis,Autophagy}

> <classes>
{Apoptosis,Autophagy,PI3K/Akt/mTOR}

> <pubchem_cids>
{46930998}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.9511   -0.8815    0.0000 C   0  0
   -4.9530   -1.9978    0.0000 N   0  0
   -4.2010   -3.2957    0.0000 C   0  0
   -2.7343   -2.9815    0.0000 N   0  0
   -4.8092   -4.6676    0.0000 C   0  0
   -6.2798   -4.9368    0.0000 C   0  0
   -6.7828   -6.3500    0.0000 C   0  0
   -5.8105   -7.4922    0.0000 C   0  0
   -4.3352   -7.2212    0.0000 C   0  0
   -3.8322   -5.8081    0.0000 C   0  0
   -4.2568    0.5878    0.0000 C   0  0
   -3.2235    1.6679    0.0000 C   0  0
   -3.6446    3.1076    0.0000 C   0  0
   -5.1020    3.4627    0.0000 N   0  0
   -6.1382    2.3782    0.0000 C   0  0
   -5.7171    0.9385    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  2  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13  9  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 10 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15758

> <plate>
PLATE 006

> <well>
G4

> <supplier_cmpd_name>
L-779450

> <ctcr_id>
11453

> <supplier_cmpd_id>
T1953

> <smiles>
Oc1c(Cl)ccc(c1)c1c([nH]c(n1)c1ccccc1)c1ccncc1

> <pd_targets>
{RAF1,BRAF}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","TKL protein kinase RAF family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TKL: Tyrosine kinase-like","RAF family"}

> <pathway_reactome>
{"Signal Transduction","MAPK family signaling cascades","Signaling by Receptor Tyrosine Kinases","MAPK1/MAPK3 signaling","Signaling by NTRKs","RAF/MAP kinase cascade","Signaling by NTRK1 (TRKA)","Nega
tive regulation of MAPK pathway","Signalling to ERKs","Negative feedback regulation of MAPK pathway","Prolonged ERK activation events","ARMS-mediated activation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{77945,303727-31-3,303727313,L-779450,L779450,2-chloro-5-(2-phenyl-5-(pyridin-4-yl)-1H-imidazol-4-yl)phenol,2chloro5(2phenyl5(pyridin4yl)1Himidazol4yl)phenol,"L-779,450","L779,450",2-chloro-5-(2-pheny
l-5-pyridin-4-yl-1H-imidazol-4-yl)phenol,2chloro5(2phenyl5pyridin4yl1Himidazol4yl)phenol,CHEMBL373011,2-Chloro-5-(2-phenyl-5-(4-pyridinyl)-1H-imidazol-4-yl)phenol,2Chloro5(2phenyl5(4pyridinyl)1Himidaz
ol4yl)phenol,C20H14ClN,T1953}

> <pdid>
PD012811

> <targets>
{Raf,Autophagy}

> <classes>
{MAPK,Autophagy,MAPK/ERK Pathway}

> <pubchem_cids>
{9950176}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 29  0  0  0  0            999 V2000
    3.8805   -1.4410    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2115    3.8621    0.0000 C   0  0
    2.6792    3.5523    0.0000 C   0  0
    3.6813    4.6685    0.0000 C   0  0
    3.2157    6.0944    0.0000 C   0  0
    1.7480    6.4042    0.0000 C   0  0
    0.7459    5.2880    0.0000 N   0  0
   -0.7533    5.2861    0.0000 N   0  0
   -1.2147    3.8589    0.0000 C   0  0
   -2.6386    3.3846    0.0000 C   0  0
   -3.0530    1.9485    0.0000 C   0  0
   -4.5093    1.5889    0.0000 C   0  0
   -5.5488    2.6704    0.0000 C   0  0
   -5.1320    4.1113    0.0000 C   0  0
   -3.6757    4.4708    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  3  1  0
  8  9  2  0
  9 10  1  0
 10  2  1  0
  5 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 12  1  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15759

> <plate>
PLATE 006

> <well>
G5

> <supplier_cmpd_name>
FR180204

> <ctcr_id>
11454

> <supplier_cmpd_id>
T1956

> <smiles>
Nc1c2cc(nnc2n[nH]1)c1c2ccccn2nc1c1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{MAPK1,MAPK3}

> <broad_moa>
{"MAP kinase inhibitor"}

> <synonyms>
{865362-74-9,865362749,"FR 180204",FR180204,FR-180204,"ERK inhibitor II","5-(2-PHENYLPYRAZOLO(1,5-A)PYRIDIN-3-YL)-1H-PYRAZOLO(3,4-C)PYRIDAZIN-3-AMINE","5(2PHENYLPYRAZOLO(1,5A)PYRIDIN3YL)1HPYRAZOLO(3,4
C)PYRIDAZIN3AMINE",CHEMBL259551,"5-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-2H-pyrazolo(3,4-c)pyridazin-3-amine","5(2phenylpyrazolo(1,5a)pyridin3yl)2Hpyrazolo(3,4c)pyridazin3amine",C18H13N7,5-(2-,5(2,T19
56}

> <pdid>

> <targets>
{ERK1,ERK2}

> <classes>
{MAPK}

> <pubchem_cids>
{11493598}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 N   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -3.9043   -5.2443    0.0000 C   0  0
   -5.2060   -5.9898    0.0000 C   0  0
   -5.2111   -7.4898    0.0000 C   0  0
   -3.9147   -8.2443    0.0000 C   0  0
   -2.6131   -7.4988    0.0000 C   0  0
   -1.3167   -8.2533    0.0000 Br  0  0
   -0.0031    3.0008    0.0000 N   0  3
    1.2946    3.7531    0.0000 O   0  5
   -1.3032    3.7490    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
  4 19  1  0
 19 20  1  0
 19 21  2  0
M  CHG  2  19   1  20  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15760

> <plate>
PLATE 006

> <well>
G6

> <supplier_cmpd_name>
SB225002

> <ctcr_id>
8207

> <supplier_cmpd_id>
T1955

> <smiles>
Oc1cc(ccc1NC(=O)Nc2ccccc2Br)[N+]([O-])=O

> <pd_targets>
{CXCR2,KMT2A,MEN1,CXCR1}

> <pathway_gtopdb>
{"Membrane receptor","Epigenetic regulator","Family A G protein-coupled receptor",Reader,"Peptide receptor (family A GPCR)",Bromodomain,"Chemokine receptor","CXC chemokine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Chemokine receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Peptide ligand-binding receptors","Chemokine receptors bind chemokines"}

> <broad_targets>
{CXCR2}

> <broad_moa>
{"CC chemokine receptor antagonist"}

> <synonyms>
{182498-32-4,182498324,"sb 225002",SB225002,SB-225002,1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea,1(2bromophenyl)3(2hydroxy4nitrophenyl)urea,N-(2-Bromophenyl)-N'-(2-hydroxy-4-nitrophenyl)urea,N(
2Bromophenyl)N'(2hydroxy4nitrophenyl)urea,CHEMBL239767,MFCD00954637,C13H10BrN3O4,1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea.,1(2bromophenyl)3(2hydroxy4nitrophenyl)urea.,Urea,N-(2-bro,N(2bro,T19
55,2725,S7651,"SB 225002"}

> <pdid>
PD003397

> <targets>
{CXCR}

> <classes>
{"GPCR & G Protein"}

> <pubchem_cids>
{3854666}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -2.5986    0.0004    0.0000 O   0  0
   -2.5998    3.0012    0.0000 C   0  0
   -3.8993    3.7504    0.0000 C   0  0
   -3.9002    5.2504    0.0000 C   0  0
   -2.6017    6.0012    0.0000 C   0  0
   -1.3022    5.2521    0.0000 C   0  0
   -1.3012    3.7521    0.0000 C   0  0
   -2.6026    7.5020    0.0000 C   0  0
   -3.9010    8.2533    0.0000 C   0  0
   -3.8995    9.7533    0.0000 N   0  0
   -2.5998   10.5021    0.0000 C   0  0
   -2.5983   12.0021    0.0000 N   0  0
   -1.3015    9.7509    0.0000 C   0  0
   -1.3029    8.2509    0.0000 N   0  0
    0.0006   10.4974    0.0000 C   0  0
    0.0046   11.9974    0.0000 O   0  0
    1.2985    9.7439    0.0000 N   0  0
    2.6005   10.4904    0.0000 C   0  0
    3.8989    9.7392    0.0000 C   0  0
    5.1987   10.4879    0.0000 C   0  0
    5.2001   11.9879    0.0000 C   0  0
    3.9018   12.7392    0.0000 N   0  0
    2.6021   11.9904    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15761

> <plate>
PLATE 006

> <well>
G7

> <supplier_cmpd_name>
AZD2858

> <ctcr_id>
662

> <supplier_cmpd_id>
T1957

> <smiles>
CN1CCN(CC1)[S](=O)(=O)c2ccc(cc2)c3cnc(N)c(n3)C(=O)Nc4cccnc4

> <pd_targets>
{GSK3B,CCNE1,CCNE2,CDK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase GSK family","CMGC protein kinase CDK family","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Glycogen synthase kinase (GSK) family","GSK subfamily"}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","SARS-CoV-1 Infection","SARS-CoV-1 Genome Replication and Transcription","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
{GSK3B}

> <broad_moa>
{"glycogen synthase kinase inhibitor"}

> <synonyms>
{AZD2858,486424-20-8,486424208,AZD-2858,"AZD 2858",CHEMBL2177161,"486424-20-8 (free base)","486424208 (free base)","GSK-3 inhibition","GSK3 inhibition",GTPL8478,SCHEMBL3327702,C21H23N7O3S,AOB6850,EX-A
707,EXA707,CHEBI:167652,HMS3653E04,HMS3886P11,BCP08089,2237AH,BDBM50397745,MFCD26397072,s7253,ZINC34299752,T1957,S7253}

> <pdid>
PD010380

> <targets>
{GSK-3}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{10138980}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 33  0  0  0  0            999 V2000
    6.4900   -5.2616    0.0000 C   0  0
    5.1886   -6.0075    0.0000 C   0  0
    5.1838   -7.5075    0.0000 C   0  0
    3.8824   -8.2533    0.0000 O   0  0
    2.5858   -7.4992    0.0000 C   0  0
    2.5905   -5.9992    0.0000 C   0  0
    3.8919   -5.2532    0.0000 N   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4968   -0.7536    0.0000 C   0  0
    7.8815   -0.6869    0.0000 C   0  0
    7.1316   -1.9860    0.0000 C   0  0
    6.4969    0.7472    0.0000 S   0  0
    7.7956    1.4979    0.0000 O   0  0
    6.4964    2.2472    0.0000 O   0  0
    5.1977    1.4969    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 14  1  0
 22 18  2  0
 10 23  1  0
 23 24  1  0
 24 25  1  0
 25 23  1  0
 23 26  1  0
 26 27  2  0
 26 28  2  0
 26 29  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15762

> <plate>
PLATE 006

> <well>
G8

> <supplier_cmpd_name>
AZ20

> <ctcr_id>
4772

> <supplier_cmpd_id>
T1958

> <smiles>
CC1COCCN1c2cc(nc(n2)c3cccc4[nH]ccc34)C5(CC5)S(=O)(=O)C

> <pd_targets>
{PIK3CA,MTOR,KCNH2,ATR}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transferase,Kinase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","Atypical protein kinase group","Voltage-gated potassium channel","Atypical protein kinase PI
KK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Lipid modifying kinases",Atypical,"Potassium channels",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidy
l inositol 3' kinase-related kinases (PIKK) family","Voltage-gated potassium channels","FRAP subfamily","ATR subfamily"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Muscle contraction","DNA Repair","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Cardi
ac conduction","DNA Double-Strand Break Repair","Signaling by FGFR in disease","Generic Transcription Pathway","Phase 3 - rapid repolarisation","Homology Directed Repair","Signaling by FGFR1 in diseas
e","Transcriptional Regulation by TP53","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","FGFR1 mutant receptor activation","Regulation of TP53 Activity","HDR through Homo
logous Recombination (HRR)","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Degradation",
"Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{ATR,MTOR}

> <broad_moa>
{"ATR kinase inhibitor"}

> <synonyms>
{HMS3652P18,HMS3672M21,HMS3750K17,BCP09895,AKOS026750283,AK175518,DA-35313,DA35313,T1958,S7050,AZ20}

> <pdid>
PD010639

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{75184787}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 N   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6060    6.0003    0.0000 C   0  0
    2.6060    7.5003    0.0000 C   0  0
    1.3070    8.2503    0.0000 C   0  0
    0.0079    7.5003    0.0000 C   0  0
    0.0079    6.0003    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  5 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 14  1  0
 19 20  2  0
 20  3  1  0
  1 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15763

> <plate>
PLATE 006

> <well>
G9

> <supplier_cmpd_name>
DBEQ

> <ctcr_id>
5040

> <supplier_cmpd_id>
T1969

> <smiles>
C(Nc1nc(NCc2ccccc2)c3ccccc3n1)c4ccccc4

> <pd_targets>
{MAP4K2,BCL2A1,UBE2N,RAD52}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other nuclear protein",Kinase,Aminoacyltransferase,"Protein Kinase","STE protein kinase group","STE protein kinase STE20 family","STE protein kinase KHS subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","STE20 family","KHS subfamily"}

> <pathway_reactome>
{"Immune System","DNA Repair","Innate Immune System","DNA Double-Strand Break Repair","Toll-like Receptor Cascades","Homology Directed Repair","Toll Like Receptor 4 (TLR4) Cascade","HDR through Homolo
gous Recombination (HRR) or Single Strand Annealing (SSA)","MyD88-independent TLR4 cascade","HDR through Single Strand Annealing (SSA)","TRIF(TICAM1)-mediated TLR4 signaling","IKK complex recruitment 
mediated by RIP1"}

> <broad_targets>
{CASP3}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{DBeQ,177355-84-9,177355849,"N2,N4-dibenzylquinazoline-2,4-diamine","N2,N4dibenzylquinazoline2,4diamine","N,N'-dibenzylquinazoline-2,4-diamine","N,N'dibenzylquinazoline2,4diamine","2-N,4-N-dibenzylqui
nazoline-2,4-diamine","2N,4Ndibenzylquinazoline2,4diamine",KUC105555N,"2,4-Quinazolinediamine, N,N'-bis(phenylmethyl)-","2,4Quinazolinediamine, N,N'bis(phenylmethyl)",C22H20N4,MLS000769571,SMR00223918
8,SMR000434303,N,T1969,4417,S7199,DBEQ}

> <pdid>
PD003408

> <targets>
{p97,Others,Apoptosis,Autophagy}

> <classes>
{Ubiquitin,Apoptosis,Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{676352}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 34 38  0  0  1  0            999 V2000
    2.5814   -7.4998    0.0000 C   0  0
    2.5868   -5.9998    0.0000 N   0  0
    3.8888   -5.2533    0.0000 C   0  0
    5.1854   -6.0076    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -5.1968   -1.5004    0.0000 N   0  0
   -5.1945   -3.0005    0.0000 C   0  0
   -6.4924   -3.7525    0.0000 C   0  0
   -7.7926   -3.0046    0.0000 O   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0  2  0  0  0
   -6.4996    0.7475    0.0000 C   0  0
   -2.5981    3.0007    0.0000 N   0  0
   -3.8983    3.7488    0.0000 C   0  0
   -3.9007    5.2488    0.0000 C   0  0
   -2.6029    6.0009    0.0000 O   0  0
   -1.3026    5.2529    0.0000 C   0  0
   -1.3003    3.7529    0.0000 C   0  0  2  0  0  0
    0.0000    3.0050    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 14  1  0
 19 20  2  0
 20 11  1  0
 17 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 26 27  1  6
 15 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 33 34  1  6
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15764

> <plate>
PLATE 006

> <well>
G10

> <supplier_cmpd_name>
Vistusertib

> <ctcr_id>
7239

> <supplier_cmpd_id>
T1961

> <smiles>
CNC(=O)c1cccc(c1)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C

> <pd_targets>
{MTOR,PIK3CG,PIK3CB,KCNH2,PIK3CD,PIK3CA,PIK3C3,PIK3R1,MLST8,RPTOR}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,Transferase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","Atypical protein kinase group","Voltage-gated potassium channel","Atypical protein kinase PI
KK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels","Kinases (EC 2.7.x.x)","Voltage-gated ion channels",Atypical,"Lipid modifying kinases","Potassium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family",Phos
phatidylinositol-4,"5-bisphosphate 3-kinase family","Voltage-gated potassium channels","Phosphatidylinositol 3-kinase family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Signal Transduction","Muscle contraction","Immune System",Disease,"RNA Polymerase II Transcription","Metabolism of lipids","Signaling by Receptor Tyrosin
e Kinases","Cardiac conduction","Cytokine Signaling in Immune system","Diseases of signal transduction by growth factor receptors and second messengers","Generic Transcription Pathway","Phospholipid m
etabolism","Signaling by Insulin receptor","Phase 3 - rapid repolarisation","Signaling by Interleukins","Signaling by FGFR in disease","Transcriptional Regulation by TP53","PI Metabolism","Insulin rec
eptor signalling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Signaling by FGFR1 in disease","Regulation of TP53 Activity","Synthesis of PIPs at the plasma membrane","IRS-mediated sign
alling","Interleukin receptor SHC signaling","FGFR1 mutant receptor activation","Regulation of TP53 Expression and Degradation","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","Regulation
 of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{AZD2014,Vistusertib,1009298-59-2,1009298592,AZD-2014,"AZD 2014",UNII-0BSC3P4H5X,UNII0BSC3P4H5X,0BSC3P4H5X,"Vistusertib (AZD-2014)","Vistusertib (AZD2014)",cc-551,cc551,CHEMBL2336325,C25H30N6O3,"Vistu
sertib (INN)","vistusertib (AZD2014)","Vistusertib (USAN)","Vistusertib (JAN/INN)","Vistusertib (USAN:IN",T1961,S2783}

> <pdid>
PD003275

> <targets>
{mTOR,Apoptosis,Autophagy}

> <classes>
{Apoptosis,Autophagy,PI3K/Akt/mTOR}

> <pubchem_cids>
{25262792}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
   -8.9766   -2.9827    0.0000 C   0  0
   -7.5391   -3.4113    0.0000 O   0  0
   -6.4479   -2.3809    0.0000 C   0  0
   -6.7976   -0.9222    0.0000 C   0  0
   -5.7092    0.1100    0.0000 C   0  0
   -4.2711   -0.3166    0.0000 C   0  0
   -3.9214   -1.7752    0.0000 C   0  0
   -5.0098   -2.8075    0.0000 C   0  0
   -4.6570   -4.2663    0.0000 N   0  0
   -3.2175   -4.6910    0.0000 C   0  0
   -2.8628   -6.1485    0.0000 N   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
    1.1012   -5.9552    0.0000 Cl  0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 N   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -6.0590    1.5694    0.0000 N   0  0
   -7.4964    1.9983    0.0000 C   0  0
   -7.8438    3.4575    0.0000 C   0  0
   -6.7537    4.4879    0.0000 C   0  0
   -7.1011    5.9472    0.0000 N   0  0
   -5.3163    4.0591    0.0000 C   0  0
   -4.9690    2.5999    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 17  1  0
 25 20  1  0
  5 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 26  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15765

> <plate>
PLATE 006

> <well>
G11

> <supplier_cmpd_name>
AZD3463

> <ctcr_id>
3723

> <supplier_cmpd_id>
T1967

> <smiles>
COc1cc(ccc1Nc2ncc(Cl)c(n2)c3c[nH]c4ccccc34)N5CCC(N)CC5

> <pd_targets>
{IGF1R,ALK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","Tyrosine protein kinase InsR family","TKL protein kinase STKR family","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type II RTKs: Insulin receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) rec
eptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","IGF1R signaling cascade","IRS-related events triggered by IGF1R"}

> <broad_targets>
{ALK,IGF1R}

> <broad_moa>
{"ALK tyrosine kinase receptor inhibitor","insulin growth factor receptor inhibitor"}

> <synonyms>
{AZD3463,1356962-20-3,1356962203,AZD-3463,CS-1382,CS1382,HY-15609,HY15609,"AZD 3463",C24H25ClN6O,"ALK/IGF1R inhibitor",KB-154896,KB154896,SCHEMBL517412,GTPL7706,CHEMBL4203266,DTXSID50717792,EX-A328,EX
A328,CHEBI:167653,BDBM192752,HMS3653G05,AOB87394,BCP07685,2238AH,NSC776787,s7106,ZINC9561658,T1967,S7106}

> <pdid>
PD010620

> <targets>
{ALK}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{56599293}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    4.2566    0.5871    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.8054   -4.6666    0.0000 N   0  0
    3.9195   -5.8781    0.0000 C   0  0
    2.4283   -5.7163    0.0000 O   0  0
    4.5250   -7.2514    0.0000 N   0  0
    5.9828   -7.5456    0.0000 C   0  0
    6.1372   -9.0377    0.0000 C   0  0
    4.7659   -9.6456    0.0000 C   0  0
    3.7640   -8.5292    0.0000 C   0  0
    2.2730   -8.6751    0.0000 C   0  0
    1.6521  -10.0406    0.0000 O   0  0
    1.4005   -7.4550    0.0000 N   0  0
    2.7343   -2.9815    0.0000 S   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 C   0  0
   -2.5983   -3.0004    0.0000 C   0  0
   -1.2996   -2.2502    0.0000 C   0  0
   -3.8990   -0.7508    0.0000 C   0  0
   -5.1981   -1.5008    0.0000 F   0  0
   -3.8995    0.7492    0.0000 F   0  0
   -5.1982   -0.0010    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  8  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
  4 16  1  0
 16 17  1  0
 17  2  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15766

> <plate>
PLATE 006

> <well>
H2

> <supplier_cmpd_name>
Alpelisib

> <ctcr_id>
7254

> <supplier_cmpd_id>
T1921

> <smiles>
Cc1nc(NC(=O)N2CCCC2C(=O)N)sc1c3ccnc(c3)C(C)(C)C(F)(F)F

> <pd_targets>
{PIK3CA,PIK3CG,PIK3CD,PIK3CB}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{Disease,Metabolism,"Immune System","Signal Transduction","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","Cytokine Signaling in Immune system
","Signaling by Receptor Tyrosine Kinases","Signaling by FGFR in disease","Phospholipid metabolism","Signaling by Interleukins","Signaling by Insulin receptor","Signaling by FGFR1 in disease","PI Meta
bolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Insulin receptor signalling cascade","FGFR1 mutant receptor activation","Synthesis of PIPs at the plasma membrane","Interleukin receptor SHC
 signaling","IRS-mediated signalling","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade"}

> <broad_targets>
{PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{UNII-08W5N2C97Q,UNII08W5N2C97Q,CHEMBL2396661,08W5N2C97Q,C19H22F3N5O2S,4jps,"Piqray (TN)","Alpelisib (USAN:INN)",QCR-1,QCR1,"Alpelisib (JAN/USAN/INN)",cc-697,cc697,GTPL7955,SCHEMBL1911869,CHEBI:93752,
DTXSID70153355,EX-A405,EXA405,"BYL 719; BYL719",AOB87192,"NVP-BYL719 (BYL719)","NVPBYL719 (BYL719)",229,T1921,16986,S2814,Alpelisib,BYL-719,BYL719}

> <pdid>
PD003252

> <targets>
{PI3K}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{56649450}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 C   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -3.9005    5.2525    0.0000 C   0  0
   -3.9014    6.7525    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  3  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15767

> <plate>
PLATE 006

> <well>
H3

> <supplier_cmpd_name>
BAY 11-7082

> <ctcr_id>
7710

> <supplier_cmpd_id>
T1902

> <smiles>
Cc1ccc(cc1)[S](=O)(=O)\C=C\C#N

> <pd_targets>
{ALD,RORC,ALDH1A1,FFP,REP,MAPT,NFKB1,NFKB2,RELA,NLRP3,MTOR}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other cytosolic protein","Unclassified protein","Nuclear receptor",Oxidoreductase,Transferase,Kinase,"Nuclear hormone receptor subfamily 1","Protein Kinase","Nuclear ho
rmone receptor subfamily 1 group F","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamil
y"}

> <pathway_chembl>
{Receptors,"Other protein targets",Enzymes,"Nuclear hormone receptors","Anti-infective targets","Catalytic receptors","Kinases (EC 2.7.x.x)","1F. Retinoic acid-related orphans","Viral protein targets"
,"Pattern recognition receptors",Atypical,"Coronavirus (CoV) proteins","NOD-like receptor family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,Disease,"Neuronal System","Immune System","RNA Polymerase II Transcription","Biological oxidations","Infectious disease","Transmission across Chemical Syn
apses","Innate Immune System","Generic Transcription Pathway","Phase I - Functionalization of compounds","SARS-CoV Infections","Neurotransmitter receptors and postsynaptic signal transmission","Toll-l
ike Receptor Cascades","Leishmania infection","Transcriptional regulation by RUNX3","Ethanol oxidation","SARS-CoV-2 Infection","Activation of NMDA receptors and postsynaptic events","Toll Like Recepto
r 5 (TLR5) Cascade","Cell recruitment (pro-inflammatory response)","Transcriptional Regulation by TP53","RUNX3 Regulates Immune Response and Cell Migration","SARS-CoV-2 Genome Replication and Transcri
ption","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","Purinergic signaling in leishmaniasis infection","Regulation of TP53 Activity","Replication of the SARS-CoV-
2 genome","Activation of AMPK downstream of NMDARs","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradat
ion"}

> <broad_targets>
{RELA}

> <broad_moa>
{"NFkB pathway inhibitor"}

> <synonyms>
{"AY 11708","bay 11-7082","bay 117082",19542-67-7,19542677,(E)-3-Tosylacrylonitrile,(E)3Tosylacrylonitrile,(E)-3-(p-Toluenesulfonyl)acrylonitrile,(E)3(pToluenesulfonyl)acrylonitrile,"Bay 11-7821","Bay
 117821",BAY-11-7082,BAY117082,BAY11-7082,UNII-4Y5G2A4F6O,UNII4Y5G2A4F6O,(E)-3-(4-Methylphenyl)sulfonylprop-2-enenitrile,(E)3(4Methylphenyl)sulfonylprop2enenitrile,BAY-11-7821,BAY117821,3-(4-methylphe
nylsulfonyl)-2-propenenit,3(4methylphenylsulfonyl)2propenenit,"EMD 196870",EI-278,196870,"BAY 11-7082"}

> <pdid>
PD002682

> <targets>
{"IKK pathway"}

> <classes>
{}

> <pubchem_cids>
{5353431}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  5
    2.5973   -1.5031    0.0000 N   0  3
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 N   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 N   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 N   0  0
   -5.1851   -3.0098    0.0000 N   0  0
   -6.4804   -3.7665    0.0000 C   0  0
   -6.4728   -5.2665    0.0000 C   0  0
   -5.1700   -6.0099    0.0000 O   0  0
   -3.8748   -5.2534    0.0000 C   0  0
   -3.8823   -3.7534    0.0000 C   0  0
   -7.7994    1.4823    0.0000 N   0  0
   -7.8071    2.9823    0.0000 C   0  0
   -9.1099    3.7257    0.0000 C   0  0
  -10.4052    2.9692    0.0000 O   0  0
  -10.3976    1.4692    0.0000 C   0  0
   -9.0948    0.7258    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
 11 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
  7 27  1  0
 27 28  2  0
 28  4  1  0
M  CHG  2   1  -1   2   1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15768

> <plate>
PLATE 006

> <well>
H4

> <supplier_cmpd_name>
MHY1485

> <ctcr_id>
11455

> <supplier_cmpd_id>
T1908

> <smiles>
[O-][N+](=O)c1ccc(Nc2nc(nc(n2)N2CCOCC2)N2CCOCC2)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{mhy1485,326914-06-1,326914061,"4,6-dimorpholino-N-(4-nitrophenyl)-1,3,5-triazin-2-amine","4,6dimorpholinoN(4nitrophenyl)1,3,5triazin2amine","4,6-dimorpholin-4-yl-N-(4-nitrophenyl)-1,3,5-triazin-2-ami
ne","4,6dimorpholin4ylN(4nitrophenyl)1,3,5triazin2amine","MHY 1485",MHY-1485,MHY1485,C17H21N7O4,"4,6-bis(morpholin-4-yl)-N-(4-nitrophenyl)-1,3,5-triazin-2-amine","4,6bis(morpholin4yl)N(4nitrophenyl)1,
3,5triazin2amine",ChemDiv1,T1908}

> <pdid>
PD012312

> <targets>
{mTOR,Autophagy}

> <classes>
{PI3K/Akt/mTOR signaling,Autophagy,PI3K/Akt/mTOR}

> <pubchem_cids>
{2834965}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 36  0  0  0  0            999 V2000
    2.4563  -10.5723    0.0000 O   0  0
    3.9371  -10.3328    0.0000 C   0  0
    4.4699   -8.9297    0.0000 N   0  0
    3.5235   -7.7682    0.0000 C   0  0
    3.9044   -6.3174    0.0000 S   0  0
    2.6429   -5.5074    0.0000 C   0  0
    2.4007   -4.0271    0.0000 C   0  0
    0.9977   -3.4965    0.0000 C   0  0
    0.7524   -2.0159    0.0000 N   0  0
   -0.6522   -1.4871    0.0000 C   0  0
   -1.8115   -2.4389    0.0000 O   0  0
   -0.8987    0.0000    0.0000 C   0  0
   -2.0541   -1.3755    0.0000 C   0  0
   -0.6052   -0.9721    0.0000 C   0  0
   -0.6052    0.5686    0.0000 C   0  0
    0.4035    1.7790    0.0000 C   0  0
    1.7790    1.2105    0.0000 C   0  0
    1.7607   -0.2751    0.0000 C   0  0
    0.7703   -1.5223    0.0000 C   0  0
    0.3852   -0.6052    0.0000 C   0  0
   -0.8987    1.3205    0.0000 C   0  0
   -0.1633   -4.4465    0.0000 C   0  0
    0.0789   -5.9268    0.0000 C   0  0
    1.4819   -6.4573    0.0000 C   0  0
    2.0260   -7.8542    0.0000 N   0  0
    4.8850  -11.4964    0.0000 C   0  0
    4.3546  -12.8995    0.0000 C   0  0
    5.3044  -14.0605    0.0000 C   0  0
    6.7847  -13.8184    0.0000 C   0  0
    7.3152  -12.4153    0.0000 C   0  0
    6.3654  -11.2544    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 18 20  1  0
 20 12  1  0
 16 21  1  0
 21 12  1  0
  8 22  2  0
 22 23  1  0
 23 24  2  0
 24  6  1  0
 24 25  1  0
 25  4  2  0
  2 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15769

> <plate>
PLATE 006

> <well>
H5

> <supplier_cmpd_name>
NVP 231

> <ctcr_id>
8359

> <supplier_cmpd_id>
T1933

> <smiles>
O=C(Nc1sc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2n1)c6ccccc6

> <pd_targets>
{CERK}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Ceramide turnover","Ceramide kinase"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Sphingolipid metabolism","Glycosphingolipid metabolism"}

> <broad_targets>
{CERK}

> <broad_moa>
{"ceramidase inhibitor"}

> <synonyms>
{NVP231,"NVP 231",362003-83-6,362003836,"362003 83 6","N-(2-benzamido-1,3-benzothiazol-6-yl)adamantane-1-carboxamide","N(2benzamido1,3benzothiazol6yl)adamantane1carboxamide","N (2 benzamido 1,3 benzot
hiazol 6 yl)adamantane 1 carboxamide",N-(2-(b,N(2(b,T1933,3960}

> <pdid>
PD003702

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4096211}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 33  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 C   0  0
    3.9020    3.7405    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
    5.2111    5.9837    0.0000 N   0  3
    6.5065    5.2274    0.0000 O   0  0
    5.2189    7.4837    0.0000 O   0  5
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
   -2.5764   -7.5048    0.0000 N   0  3
   -1.2737   -8.2485    0.0000 O   0  0
   -3.8715   -8.2616    0.0000 O   0  5
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
  7 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 25 28  1  0
 28 29  2  0
 28 30  1  0
 20 31  1  0
 31  5  1  0
M  CHG  4  15   1  17  -1  28   1  30  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15770

> <plate>
PLATE 006

> <well>
H6

> <supplier_cmpd_name>
B-AP15

> <ctcr_id>
11456

> <supplier_cmpd_id>
T1932

> <smiles>
C=CC(=O)N1C/C(=C\c2ccc(cc2)[N+](=O)[O-])/C(=O)/C(=C/c2ccc(cc2)[N+](=O)[O-])/C1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AP1,b-AP15,bAP15,1009817-63-3,1009817633,NSC687852,"NSC 687852","(3E,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)piperidin-4-one","(3E,5E)1Acryloyl3,5bis(4nitrobenzylidene)piperidin4one","NSC 687852 (b
-AP15)","NSC 687852 (bAP15)","(3E,5E)-3,5-bis((4-nitrophenyl)methylidene)-1-prop-2-enoylpiperidin-4-one","(3E,5E)3,5bis((4nitrophenyl)methylidene)1prop2enoylpiperidin4one",(3E,5E)-1-acryloyl-3,5E)1acr
yloyl3,5-bis(4-nitrobenzylid,5bis(4nitrobenzylid,T1932,B-AP15}

> <pdid>
PD012655

> <targets>
{UCH-L5}

> <classes>
{Ubiquitination}

> <pubchem_cids>
{5351435}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 36 36  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.8993    0.7496    0.0000 F   0  0
    3.8989   -0.7502    0.0000 F   0  0
    2.6000   -1.5000    0.0000 F   0  0
   24.5684   -7.1332    0.0000 C   0  0
   24.5705   -5.6332    0.0000 N   0  0
   25.8709   -4.8854    0.0000 C   0  0
   23.2723   -4.8801    0.0000 C   0  0
   23.2745   -3.3793    0.0000 C   0  0
   21.9763   -2.6262    0.0000 S   0  0
   21.9784   -1.1254    0.0000 S   0  0
   20.6802   -0.3723    0.0000 C   0  0
   20.6823    1.1285    0.0000 C   0  0
   19.3841    1.8816    0.0000 N   0  0
   19.3862    3.3824    0.0000 C   0  0
   20.6866    4.1302    0.0000 O   0  0
   18.0880    4.1355    0.0000 C   0  0
   18.0880    5.6355    0.0000 C   0  0
   16.7890    6.3855    0.0000 C   0  0
   15.4899    5.6355    0.0000 N   0  0
   15.4900    4.1355    0.0000 C   0  0
   16.7890    3.3855    0.0000 C   0  0
   14.1886    6.3833    0.0000 C   0  0
   14.1860    7.8833    0.0000 O   0  0
   12.8900    5.6310    0.0000 C   0  0
   11.5887    6.3787    0.0000 S   0  0
   10.2900    5.6265    0.0000 C   0  0
    8.9883    6.3719    0.0000 C   0  0
    7.6919    5.6174    0.0000 C   0  0
    7.6971    4.1174    0.0000 C   0  0
    6.4006    3.3629    0.0000 Cl  0  0
    8.9987    3.3719    0.0000 C   0  0
   10.2951    4.1264    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 23 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 33 35  1  0
 35 36  2  0
 36 30  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15771

> <plate>
PLATE 006

> <well>
H7

> <supplier_cmpd_name>
6H05

> <ctcr_id>
11457

> <supplier_cmpd_id>
T1931

> <smiles>
OC(=O)C(F)(F)F.CN(C)CCSSCCNC(=O)C1CCN(CC1)C(=O)CSc1ccc(Cl)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"6H05 (trifluoroacetate)","6H05 trifluoroacetate","6H05 TFA","6H05 (TFA)","1469338-01-9 (free base)","1469338019 (free base)",s7330,HMS3653E14,"1469338-01-9(free base)","1469338019(free base)",HY-124
08A,HY12408A,AKOS026750271,CCG-270161,CCG270161,CS-3428,CS3428,DA-36141,DA36141,FT-0742955,FT0742955,SW219399-1,SW2193991,A14235,T1931,6H05}

> <pdid>
PD051237

> <targets>
{K-Ras(G12C)}

> <classes>
{MAPK}

> <pubchem_cids>
{86208069}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    6.4760   -2.2250    0.0000 N   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1557   -4.4845    0.0000 C   0  0
    6.4537   -5.2364    0.0000 O   0  0
    3.8551   -5.2334    0.0000 N   0  0
    3.8524   -6.7342    0.0000 C   0  0
    5.1526   -7.4839    0.0000 C   0  0
    6.4524   -6.7335    0.0000 C   0  0
    7.7519   -7.4828    0.0000 O   0  0
    2.5518   -7.4831    0.0000 C   0  0
    2.5469   -8.9831    0.0000 C   0  0
    1.2455   -9.7290    0.0000 C   0  0
   -0.0512   -8.9748    0.0000 C   0  0
   -1.3526   -9.7207    0.0000 Cl  0  0
   -0.0464   -7.4748    0.0000 C   0  0
    1.2551   -6.7290    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16  8  1  0
 16 12  2  0
  2 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 20 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 24  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15772

> <plate>
PLATE 006

> <well>
H8

> <supplier_cmpd_name>
Capivasertib

> <ctcr_id>
6712

> <supplier_cmpd_id>
T1920

> <smiles>
NC1(CCN(CC1)c2ncnc3[nH]ccc23)C(=O)NC(CCO)c4ccc(Cl)cc4

> <pd_targets>
{ROCK2,AKT1,AKT3,AKT2,ROCK1,CCR5}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase DMPK family","AGC protein kinase AKT family","AGC protein kinase ROCK subfamily","Membrane receptor","Family A G protein-
coupled receptor","Peptide receptor (family A GPCR)","Chemokine receptor","CC chemokine receptor"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","DMPK family","Akt (Protein kinase B","PKB) family","Rho kinase",Receptors,"G protein-coupled receptors","Chemokine receptors"}

> <pathway_reactome>
{"Developmental Biology","Gene expression (Transcription)","Signal Transduction","Nervous system development","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Axon guidance"
,"Generic Transcription Pathway","Signaling by Insulin receptor","Semaphorin interactions","Transcriptional Regulation by TP53","Insulin receptor signalling cascade","Sema4D in semaphorin signaling","
Regulation of TP53 Activity","IRS-mediated signalling","Sema4D induced cell migration and growth-cone collapse","Regulation of TP53 Expression and Degradation","PI3K Cascade","Regulation of TP53 Degra
dation","PKB-mediated events","PDE3B signalling",Disease,"Infectious disease","HIV Infection","HIV Life Cycle","Early Phase of HIV Life Cycle","Binding and entry of HIV virion"}

> <broad_targets>
{AKT1,AKT2,AKT3}

> <broad_moa>
{"AKT inhibitor"}

> <synonyms>
{"AZD5363 RACEMATE",SCHEMBL390244,CHEMBL2325738,BDBM256834,HMS3653N19,HMS3673C21,BCP04083,EX-A1624,EXA1624,AKOS026750264,NCGC00389738-01,NCGC0038973801,AK316078,"US9492453, 13",T1920,S8019,Capivaserti
b,AZD5363}

> <pdid>
PD010264

> <targets>
{Akt}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{42602260}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    2.5973   -7.5101    0.0000 C   0  0
    2.5952   -6.0101    0.0000 O   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1882    2.6401    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1882   -2.6402    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5987    1.5004    0.0000 N   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    3.8943    3.7525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 15  1  0
 22 23  2  0
 23 12  1  0
 13 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15773

> <plate>
PLATE 006

> <well>
H9

> <supplier_cmpd_name>
GSK 5959

> <ctcr_id>
11458

> <supplier_cmpd_id>
T1972

> <smiles>
COc1ccccc1C(=O)Nc1c(cc2n(C)c(=O)n(C)c2c1)N1CCCCC1

> <pd_targets>
{BRD4,TAF1,BRPF1,BRD1,BRPF3,MAPT}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Bromodomain,"Methyl-lysine/arginine binding protein","PWWP domain","Other cytosolic protein"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","Non-enzymatic BRD containing proteins","Bromodomain kinase
 (BRDK) family","TAF1 family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","SARS-CoV Infections","HIV Infection","Generic Transcription Pathway","Potential therapeutics for SARS
","HIV Life Cycle","Transcriptional Regulation by TP53","Late Phase of HIV Life Cycle","Regulation of TP53 Activity","Transcription of the HIV genome","Regulation of TP53 Activity through Acetylation"
,"HIV Transcription Initiation","Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynapt
ic events","Post NMDA receptor activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{BRPF1}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{901245-65-6,901245656,GSK-5959,GSK5959,"GSK 5959","compound 3 (PMID: 25408830)",CHEMBL1522313,"N-(1,3-dimethyl-2-oxo-6-piperidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide","N(1,3dimethyl2oxo6piperidi
n1ylbenzimidazol5yl)2methoxybenzamide","CID 15990224",4uye,GTPL7811,HMS1821D17,BCP16039,EX-A2263,EXA2263,ZINC8594565,BDBM50032912,T1972}

> <pdid>
PD012425

> <targets>
{BRPF1,Epigenetic Reader Domain}

> <classes>
{Chromatin/Epigenetic,Epigenetics}

> <pubchem_cids>
{15990224}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    2.5973   -7.5101    0.0000 C   0  0
    2.5952   -6.0101    0.0000 O   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1882    2.6401    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1882   -2.6402    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5987    1.5004    0.0000 N   0  0
    3.9511    0.8815    0.0000 C   0  0
    4.9530    1.9978    0.0000 C   0  0
    4.2010    3.2957    0.0000 C   0  0
    2.7342    2.9815    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 15  1  0
 22 23  2  0
 23 12  1  0
 13 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 24  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15774

> <plate>
PLATE 006

> <well>
H10

> <supplier_cmpd_name>
PFI-4

> <ctcr_id>
11459

> <supplier_cmpd_id>
T1973

> <smiles>
COc1ccccc1C(=O)Nc1c(cc2n(C)c(=O)n(C)c2c1)N1CCCC1

> <pd_targets>
{BRD4,TAF1,BRPF1,BRD1,BRPF3,MAPT}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Bromodomain,"Methyl-lysine/arginine binding protein","PWWP domain","Other cytosolic protein"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","Non-enzymatic BRD containing proteins","Bromodomain kinase
 (BRDK) family","TAF1 family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","SARS-CoV Infections","HIV Infection","Generic Transcription Pathway","Potential therapeutics for SARS
","HIV Life Cycle","Transcriptional Regulation by TP53","Late Phase of HIV Life Cycle","Regulation of TP53 Activity","Transcription of the HIV genome","Regulation of TP53 Activity through Acetylation"
,"HIV Transcription Initiation","Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynapt
ic events","Post NMDA receptor activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{BRPF1}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{PFI-4,PFI4,900305-37-5,900305375,"PFI 4",CHEMBL3356143,GTPL8575,EX-A823,EXA823,BCP23818,ZINC6794685,BDBM50032927,MFCD14744412,s7906,STL436496,AKOS000482438,CCG-268406,CCG268406,CS-4866,CS4866,MCULE-9
591292886,MCULE9591292886,"PFI-4, >=98 (HPLC)","PFI4, >=98 (HPLC)",NCGC00476204-01,NCGC0047620401,AK316825,AS-55836,AS55836,BP-25373,BP25373,HY-18664,HY18664,FT-070,FT070,T1973}

> <pdid>
PD000017

> <targets>
{BRPF1,BRPF2,BRPF3}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{40642506}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 N   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -3.8919   -5.2525    0.0000 Br  0  0
   -2.5964   -3.0004    0.0000 C   0  0
   -1.2962   -3.7484    0.0000 O   0  0
   -6.4946   -3.7544    0.0000 O   0  0
   -7.7945   -3.0042    0.0000 C   0  0
   -9.0946   -3.7540    0.0000 C   0  0
   -9.0923   -5.2541    0.0000 C   0  0
  -10.3902   -6.0061    0.0000 C   0  0
  -11.6904   -5.2581    0.0000 C   0  0
  -12.9883   -6.0102    0.0000 F   0  0
  -11.6927   -3.7581    0.0000 C   0  0
  -10.3949   -3.0061    0.0000 C   0  0
  -10.3973   -1.5061    0.0000 F   0  0
   -3.9015    0.7475    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 16 18  1  0
 18 12  1  0
 18 19  2  0
 15 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 22  1  0
 28 29  1  0
 13 30  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15775

> <plate>
PLATE 006

> <well>
H11

> <supplier_cmpd_name>
PH797804

> <ctcr_id>
6015

> <supplier_cmpd_id>
T1974

> <smiles>
CNC(=O)c1ccc(C)c(c1)N2C(=CC(=C(Br)C2=O)OCc3ccc(F)cc3F)C

> <pd_targets>
{MAPK14,MAPK11,ROCK2,MAPK12}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","AGC protein kinase group","CMGC protein kinase MAPK family","AGC protein kinase DMPK family","CMGC protein kinase p38 subfamily","AGC prote
in kinase ROCK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","Mitogen-activated protein kinases (MAP kinases)","DMPK family","p38 subfamily"
,"Rho kinase"}

> <pathway_reactome>
{"Immune System","Developmental Biology","Signal Transduction","Innate Immune System","Nervous system development","Signaling by Receptor Tyrosine Kinases","Toll-like Receptor Cascades","Axon guidance
","Signaling by NTRKs","Toll Like Receptor 5 (TLR5) Cascade","Semaphorin interactions","Signaling by NTRK1 (TRKA)","MyD88 cascade initiated on plasma membrane","Sema4D in semaphorin signaling","Signal
ling to ERKs","MAP kinase activation","Sema4D induced cell migration and growth-cone collapse","Signalling to RAS","MAPK targets/ Nuclear events mediated by MAP kinases","p38MAPK events","Activation o
f the AP-1 family of transcription factors"}

> <broad_targets>
{MAPK11,MAPK14}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{PH-797804,PH797804,586379-66-0,586379660,"PH 797804",UNII-SI09I1V827,UNIISI09I1V827,UNII-GEL7GRJ3R6,UNIIGEL7GRJ3R6,GEL7GRJ3R6,CHEMBL1088751,CHEBI:82715,SI09I1V827,PHA-797804,PHA797804,1358027-80-1,13
58027801,3hll,Kinome_3761,Kinome3761,Kinome-3761,"Kinome 3761",cc-53,cc53,MLS006011016,C22H19BrF2N2O3,"rac-PH 797804","racPH 797804",GTPL7818,SCHEMBL2015676,DTXSID70207,T1974,S2726}

> <pdid>
PD004869

> <targets>
{"p38 MAPK",Autophagy}

> <classes>
{MAPK,Autophagy,MAPK/ERK Pathway}

> <pubchem_cids>
{22049997}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
   -2.6933   -6.3162    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -0.7603   -8.0518    0.0000 O   0  0
   -0.2234   -5.5086    0.0000 O   0  0
   -0.6890   -4.0818    0.0000 N   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.0059   -1.5004    0.0000 C   0  0
   -1.3785   -0.8955    0.0000 O   0  0
    1.2903   -0.7456    0.0000 N   0  0
    1.4385    0.7453    0.0000 C   0  0
    0.2199    1.6214    0.0000 C   0  0
   -1.1462    1.0017    0.0000 C   0  0
   -2.3659    1.8748    0.0000 C   0  0
   -3.7319    1.2551    0.0000 Cl  0  0
   -2.2196    3.3677    0.0000 C   0  0
   -0.8536    3.9874    0.0000 C   0  0
    0.3661    3.1143    0.0000 C   0  0
    1.7321    3.7341    0.0000 Cl  0  0
    2.4080   -1.7447    0.0000 C   0  0
    3.8992   -1.5823    0.0000 C   0  0
    4.7854   -2.7925    0.0000 C   0  0
    4.1805   -4.1651    0.0000 C   0  0
    5.0667   -5.3753    0.0000 Cl  0  0
    2.6893   -4.3275    0.0000 C   0  0
    1.8030   -3.1173    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  2  0
 17 11  1  0
 17 18  1  0
  9 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25  6  1  0
 25 19  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15776

> <plate>
PLATE 007

> <well>
A2

> <supplier_cmpd_name>
LDN-57444

> <ctcr_id>
7341

> <supplier_cmpd_id>
T1924

> <smiles>
CC(=O)O\N=C/1\C(=O)N(Cc2cc(Cl)ccc2Cl)c3ccc(Cl)cc13

> <pd_targets>
{UCHL5,UCHL3,UCHL1}

> <pathway_gtopdb>
{Enzyme,Protease,"Cysteine protease","Cysteine protease CA clan","Cysteine protease C12 family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","CA: Cysteine (C) Peptidases","C12: Ubiquitin C-terminal hydrolase"}

> <pathway_reactome>
{"Signal Transduction","Metabolism of proteins","Signaling by TGFB family members","Post-translational protein modification","Signaling by TGF-beta Receptor Complex",Deubiquitination,"TGF-beta recepto
r signaling activates SMADs","UCH proteinases","Downregulation of TGF-beta receptor signaling"}

> <broad_targets>
{}

> <broad_moa>
{"ubiquitin C-terminal hydrolase inhibitor"}

> <synonyms>
{DN5744,"DN 5744",LDN-57444,LDN57444,"LDN 57444",668467-91-2,668467912,"668467 91 2","(Z)-3-(acetoxyimino)-5-chloro-1-(2,5-dichlorobenzyl)indolin-2-one.","(Z)3(acetoxyimino)5chloro1(2,5dichlorobenzyl)
indolin2one.","(Z) 3 (acetoxyimino) 5 chloro 1",S7135}

> <pdid>
PD010605

> <targets>
{Proteasome}

> <classes>
{}

> <pubchem_cids>
{51537051}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 33  0  0  1  0            999 V2000
   -4.5468    6.8759    0.0000 O   0  0
   -4.5738    5.3762    0.0000 C   0  0
   -5.8863    4.6501    0.0000 O   0  0
   -3.2882    4.6017    0.0000 C   0  0
   -3.3152    3.1011    0.0000 C   0  0
   -2.0297    2.3266    0.0000 C   0  0
   -2.0567    0.8260    0.0000 C   0  0
   -0.8100    0.0300    0.0000 C   0  0  1  0  0  0
   -0.7985   -1.4700    0.0000 C   0  0
   -0.8100    1.5100    0.0000 O   0  0
    0.5500    2.3600    0.0000 C   0  0
    0.5708    3.8599    0.0000 O   0  0
    1.9200    1.4500    0.0000 C   0  0  1  0  0  0
    0.3800    1.8800    0.0000 C   0  0
   -0.6100    0.6500    0.0000 C   0  0
    0.6400   -0.8800    0.0000 C   0  0  2  0  0  0
    1.9200    0.0000    0.0000 C   0  0  1  0  0  0
    3.0900   -1.0200    0.0000 C   0  0
    4.6300   -0.6600    0.0000 C   0  0
    5.2400    0.7200    0.0000 C   0  0
    4.6300    1.9300    0.0000 C   0  0
    3.1900    2.3600    0.0000 C   0  0
    6.7406    0.8138    0.0000 C   0  0
    7.5706   -0.4356    0.0000 O   0  0
    7.4084    2.1579    0.0000 O   0  0
    8.9054    2.2524    0.0000 C   0  0
    0.6493    0.7959    0.0000 C   0  0
   -0.6737    0.0889    0.0000 O   0  0
    0.6980    2.2959    0.0000 O   0  0
   -0.5754    3.0886    0.0000 C   0  0
   -1.9757    5.3277    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  1
 14 15  1  0
 16 15  1  1
 16  8  1  0
 16 17  1  0
 17 13  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  3
 21 22  1  0
 22 13  1  0
 20 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 17 27  1  1
 27 28  2  0
 27 29  1  0
 29 30  1  0
  4 31  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15777

> <plate>
PLATE 007

> <well>
A3

> <supplier_cmpd_name>
Pseudolaric Acid B

> <ctcr_id>
11460

> <supplier_cmpd_id>
T1922

> <smiles>
O=C(O)/C(=C/C=C/[C@@]1(C)OC(=O)[C@@]23CC[C@@H]1[C@]2(CCC(=CC3)C(=O)OC)C(=O)OC)/C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"HSDB 8110",ZINC33953227,AKOS015897130,AC-6065,AC6065,3B1-008274,3B1008274,T1922,"Pseudolaric Acid B"}

> <pdid>
PD098564

> <targets>
{p38,Apoptosis,Autophagy,Ferroptosis,Fungal,HBV}

> <classes>
{MAPK,Anti-infection,Apoptosis,Autophagy}

> <pubchem_cids>
{6436202}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    8.7484    4.8332    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 N   0  0
    3.8933    3.7570    0.0000 C   0  0
    4.0312    5.2379    0.0000 C   0  0
    5.4984    5.5498    0.0000 N   0  0
    6.2484    4.2507    0.0000 N   0  0
    5.2447    3.1360    0.0000 C   0  0
    2.9122    6.2341    0.0000 C   0  0
    1.4884    5.7621    0.0000 O   0  0
    3.2150    7.7041    0.0000 N   0  0
    2.0940    8.7020    0.0000 C   0  0
    2.3945   10.1716    0.0000 C   0  0
    1.2721   11.1667    0.0000 C   0  0
   -0.1509   10.6922    0.0000 N   0  0
   -0.4514    9.2227    0.0000 C   0  0
    0.6710    8.2276    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12  8  1  0
  9 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
  4 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 25 26  2  0
 26  3  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15778

> <plate>
PLATE 007

> <well>
A4

> <supplier_cmpd_name>
AT 7519 hydrochloride salt

> <ctcr_id>
11461

> <supplier_cmpd_id>
T1778

> <smiles>
Cl.Cc1c(C(=O)Nc2c([nH]nc2)C(=O)NC2CCNCC2)c(Cl)ccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"AT 7519 Hydrochloride","AT 7519 HCL",AKOS025117569,AC-29009,AC29009,135P915,T1778,"AT 7519 hydrochloride salt"}

> <pdid>
PD055796

> <targets>
{CDK2/CyclinA,CDK4/CyclinD1,CDK5/p35,CDK9/CyclinT,GSK-3¦Â}

> <classes>
{"PI3K/Akt/mTOR signaling","Cell Cycle/Checkpoint","Stem Cells"}

> <pubchem_cids>
{91669601}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
    3.8983   -0.7512    0.0000 F   0  0
    2.5988   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2526    1.3618    0.0000 C   0  0
   -5.5608    2.8298    0.0000 Cl  0  0
   -6.2524    0.2436    0.0000 N   0  0
   -7.7454    0.3952    0.0000 C   0  0  2  0  0  0
   -8.4584    1.7093    0.0000 C   0  0  1  0  0  0
   -7.6746    2.9883    0.0000 F   0  0
   -9.9579    1.7482    0.0000 C   0  0
  -10.7413    0.4691    0.0000 N   0  0
  -12.2415    0.5080    0.0000 C   0  0
  -13.2244    1.5929    0.0000 C   0  0
  -14.3106    0.5583    0.0000 O   0  0
  -13.2760   -0.5278    0.0000 C   0  0
  -10.0252   -0.8490    0.0000 C   0  0
   -8.5257   -0.8879    0.0000 C   0  0
   -5.4979   -1.0529    0.0000 N   0  0
   -4.0317   -0.7359    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3032   -3.7490    0.0000 C   0  0
    2.5983   -3.0004    0.0000 F   0  0
    3.8975   -2.2510    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 12 11  1  1
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 17  1  0
 16 21  1  0
 21 22  1  0
 22 12  1  0
 11 23  1  0
 23 24  2  0
 24  8  1  0
  6 25  1  0
 25 26  2  0
 26  3  1  0
 26 27  1  0
 27 28  1  0
  2 29  1  0
  2 30  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15779

> <plate>
PLATE 007

> <well>
A5

> <supplier_cmpd_name>
GNE9605

> <ctcr_id>
11462

> <supplier_cmpd_id>
T1770

> <smiles>
FC(c1cnc(Nc2c(Cl)n([C@@H]3[C@@H](F)CN(C4COC4)CC3)nc2)nc1NC)(F)F

> <pd_targets>
{LRRK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","TKL protein kinase LRRK family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TKL: Tyrosine kinase-like","Leucine-rich repeat kinase (LRRK) family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Non-Receptor Tyrosine Kinases","Signaling by PTK6","PTK6 promotes HIF1A stabilization"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{GNE-9605,GNE9605,1536200-31-3,1536200313,CHEMBL3122117,"GNE 9605",GTPL7919,BCP10209,EX-A2064,EXA2064,BDBM50448110,s7368,AKOS032947345,ZINC103260612,CCG-269231,CCG269231,CS-3297,CS3297,SB19412,NCGC003
86367-02,NCGC0038636702,NCGC00386367-03,NCGC0038636703,NCGC00386367-04,NCGC0038636704,BS-15967,BS15967,HY-12282,HY12282,Q27077825,T1770}

> <pdid>
PD021563

> <targets>
{LRRK2}

> <classes>
{Autophagy}

> <pubchem_cids>
{76328936}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    4.8089   -4.6669    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 N   0  0
  -11.6983    3.7390    0.0000 C   0  0
  -12.9973    4.4890    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    0.0071   -7.5009    0.0000 Cl  0  0
   -1.2955   -5.2529    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -2.5981   -3.0050    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  3  0
 10 23  1  0
 23 24  2  0
 24  7  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 31 25  1  0
 31 32  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15780

> <plate>
PLATE 007

> <well>
A6

> <supplier_cmpd_name>
CHIR-99021

> <ctcr_id>
1214

> <supplier_cmpd_id>
T2310

> <smiles>
Cc1c[nH]c(n1)c2cnc(NCCNc3ccc(cn3)C#N)nc2c4ccc(Cl)cc4Cl

> <pd_targets>
{CCNB1,CCNB2,CCNB3,CDK1,GSK3B,CSNK1G1,GSK3A,MAPK1,RPS6KB1,LIMK1,CDK2,SLK,CLK4,TAOK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CK1 protein kinase group","AGC protein kinase group","TKL protein kinase group","STE protein kinase group","CMGC protein kinase CDK family"
,"CMGC protein kinase GSK family","CK1 protein kinase CK1 family","CMGC protein kinase MAPK family","AGC protein kinase RSK family","TKL protein kinase LISK family","STE protein kinase STE20 family","
CMGC protein kinase CLK family","CMGC protein kinase CDC2 subfamily","CMGC protein kinase ERK1","AGC protein kinase p70 subfamily","TKL protein kinase LIMK subfamily","STE protein kinase SLK subfamily
","STE protein kinase TAO subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","AGC: Containing PKA",PKG,"PKC families","Receptor kinases","STE:
 Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Glycogen synthase kinase (GSK) family","Casein kinase 1 (CK1) family","Mitogen-activated protein kinases (MAP kinases)","Cyclin-depende
nt kinase (CDK) family","RSK family","TKL: Tyrosine kinase-like","STE20 family","CLK family","GSK subfamily","ERK subfamily","CDK1 subfamily","p70 subfamily","LIM domain kinase (LISK) family","SLK sub
family","TAO subfamily","LIMK subfamily"}

> <pathway_reactome>
{Disease,"Immune System","Cell Cycle","Signal Transduction","Developmental Biology","Gene expression (Transcription)","Infectious disease","Innate Immune System",Mitotic,"MTOR signalling","Nervous sys
tem development","RNA Polymerase II Transcription","SARS-CoV Infections","Toll-like Receptor Cascades","Regulation of mitotic cell cycle","mTORC1-mediated signalling","Axon guidance","Generic Transcri
ption Pathway","M Phase","SARS-CoV-1 Infection","Toll Like Receptor 5 (TLR5) Cascade","APC/C-mediated degradation of cell cycle proteins","Semaphorin interactions","Transcriptional Regulation by TP53"
,"Mitotic Metaphase and Anaphase","SARS-CoV-1 Genome Replication and Transcription","MyD88 cascade initiated on plasma membrane","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic pr
oteins","Sema4D in semaphorin signaling","Regulation of TP53 Activity","Mitotic Anaphase","Replication of the SARS-CoV-1 genome","MAP kinase activation","APC/C:Cdc20 mediated degradation of mitotic pr
oteins","Sema4D induced cell migration and growth-cone collapse","Regulation of TP53 Expression and Degradation","Separation of Sister Chromatids","MAPK targets/ Nuclear events mediated by MAP kinases
","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Regulation of TP53 Degradation","ERK/MAPK targets","Cdc20:Phospho-APC/C mediated degradatio
n of Cyclin A","ERKs are inactivated"}

> <broad_targets>
{CDK1,GSK3A,GSK3B,MAPK1}

> <broad_moa>
{"glycogen synthase kinase inhibitor"}

> <synonyms>
{HIR9902,"HIR 9902",CHIR-99021,CHIR99021,"CHIR 99021",252917-06-9,252917069,"252917 06 9",CT99021,"CT 99021",CT-99021,"GSK-3 Inhibitor XVI","GSK3 Inhibitor XVI","GSK 3 Inhibitor XVI",UNII-234CMT4GK4,U
NII234CMT4GK4,"UNII 234CMT4GK4",CHIR-911,CHIR911,CHIR,S1263}

> <pdid>
PD003256

> <targets>
{GSK-3,GSK3}

> <classes>
{}

> <pubchem_cids>
{9956119}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 40 44  0  0  0  0            999 V2000
    5.9389    7.0292    0.0000 C   0  0
    5.0407    5.8279    0.0000 O   0  0
    3.5503    6.0043    0.0000 C   0  0
    2.6503    4.8042    0.0000 C   0  0
    1.1611    4.9836    0.0000 C   0  0
    0.5718    6.3630    0.0000 C   0  0
    1.4717    7.5630    0.0000 C   0  0
    0.8849    8.9444    0.0000 O   0  0
    1.7871   10.1438    0.0000 C   0  0
    1.2006   11.5244    0.0000 C   0  0
    3.2760    9.9619    0.0000 C   0  0
    2.9609    7.3837    0.0000 C   0  0
   -0.9182    6.5424    0.0000 C   0  0
   -1.6247    7.8511    0.0000 N   0  0
   -3.0970    7.5638    0.0000 C   0  0
   -3.2787    6.0749    0.0000 C   0  0
   -1.9187    5.4420    0.0000 N   0  0
   -1.6175    3.9744    0.0000 C   0  0
   -2.7394    2.9788    0.0000 O   0  0
   -0.1936    3.4998    0.0000 N   0  0
    0.9307    4.4928    0.0000 C   0  0
    2.3528    4.0156    0.0000 C   0  0
    2.6506    2.5455    0.0000 N   0  0
    1.5263    1.5525    0.0000 C   0  0
    1.8242    0.0823    0.0000 O   0  0
    0.1043    2.0296    0.0000 C   0  0
   -4.5907    5.3463    0.0000 C   0  0
   -5.9266    6.0175    0.0000 C   0  0
   -7.1795    5.1927    0.0000 C   0  0
   -7.0916    3.6953    0.0000 C   0  0
   -8.3445    2.8705    0.0000 Cl  0  0
   -5.7509    3.0227    0.0000 C   0  0
   -4.4980    3.8475    0.0000 C   0  0
   -4.1953    8.5865    0.0000 C   0  0
   -3.9698   10.0645    0.0000 C   0  0
   -5.1414   11.0011    0.0000 C   0  0
   -6.5383   10.4549    0.0000 C   0  0
   -7.7099   11.3915    0.0000 Cl  0  0
   -6.7637    8.9719    0.0000 C   0  0
   -5.5922    8.0352    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  7 12  2  0
 12  3  1  0
  6 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 13  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 20  1  0
 16 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 33 27  1  0
 15 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 37 39  1  0
 39 40  2  0
 40 34  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15781

> <plate>
PLATE 007

> <well>
A7

> <supplier_cmpd_name>
Nutlin-3

> <ctcr_id>
4618

> <supplier_cmpd_id>
T2158

> <smiles>
COc1ccc(c(OC(C)C)c1)C2=NC(C(N2C(=O)N3CCNC(=O)C3)c4ccc(Cl)cc4)c5ccc(Cl)cc5

> <pd_targets>
{MDM2,TP53,RORC,BCL2,MDM4}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Transcription factor","Ion channel","Unclassified protein",Ligase,"Nuclear receptor","Other ion channel","Nuclear hormone receptor subfamily 1","Miscellaneous ion chan
nel","Nuclear hormone receptor subfamily 1 group F","Bcl-2 family","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","E3 ubiquitin ligase components","Nuclear hormone receptors","B-cell lymphoma 2 (Bcl-2) protein family","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","Cell Cycle","RNA Polymerase II Transcription","Innate Immune System","Cell Cycle Checkpoints","Generic Transcription Pathway","Nucleotide-binding do
main","leucine rich repeat containing receptor (NLR) signaling pathways","G1/S DNA Damage Checkpoints","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX3",Inflammasomes,"p53-Dep
endent G1/S DNA damage checkpoint","Regulation of TP53 Activity","RUNX3 Regulates Immune Response and Cell Migration","The NLRP1 inflammasome","p53-Dependent G1 DNA Damage Response","Regulation of TP5
3 Expression and Degradation","Stabilization of p53","Regulation of TP53 Degradation","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{MDM2,TP53}

> <broad_moa>
{"MDM inhibitor"}

> <synonyms>
{NSC-732664,NSC732664,NCGC00165848-01,NCGC0016584801,NCGC00165848-02,NCGC0016584802,Nutlin-3,Nutlin3,548472-68-0,548472680,890090-75-2,890090752,"nutlin 3",(Rac)-Nutlin-3,(Rac)Nutlin3,(+/-)-Nutlin3,(+
/)Nutlin3,CHEMBL211045,"Nutlin 3(Random Configuration)",MFCD07784509,Nutlin,C30H30Cl2N4O4,Rac-Nutlin-3,RacNutlin3,"Nutln 3A","MDM2 Antagonist",R,T6614,T6023,T2158,S1061,Nutlin-3b,Nutlin-3a,nutlin-3}

> <pdid>
PD003703

> <targets>
{Mdm2,"E3 Ligase"}

> <classes>
{Apoptosis}

> <pubchem_cids>
{216345}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 35  0  0  1  0            999 V2000
    3.9075   -3.7444    0.0000 C   0  0
    2.6060   -2.9986    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0  2  0  0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2004   -2.9933    0.0000 N   0  0
    6.4995   -3.7432    0.0000 C   0  0
    7.7985   -2.9932    0.0000 N   0  0
    7.7985   -1.4932    0.0000 C   0  0
    8.9127   -0.4902    0.0000 N   0  0
    8.3026    0.8801    0.0000 C   0  0
    6.8108    0.7233    0.0000 N   0  0
    6.4994   -0.7432    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  5  1  0
 13  9  2  0
  3 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 16  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 14  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15782

> <plate>
PLATE 007

> <well>
A8

> <supplier_cmpd_name>
Idelalisib

> <ctcr_id>
7581

> <supplier_cmpd_id>
T1894

> <smiles>
CC[C@H](Nc1ncnc2[nH]cnc12)C3=Nc4cccc(F)c4C(=O)N3c5ccccc5

> <pd_targets>
{PIK3C3,PIK3CD,PIK3CG,PIK3CB,PIK3CA,PIK3R1,PRKDC,PIK3R2}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,"Phosphatidylinositol 3-kinase family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-relat
ed kinases (PIKK) family","Other PIKK family kinases"}

> <pathway_reactome>
{"Signal Transduction","Immune System",Metabolism,Disease,"Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","Metabolism of lipids","Diseases of signal transduction by grow
th factor receptors and second messengers","Innate Immune System","Signaling by Insulin receptor","Signaling by Interleukins","Phospholipid metabolism","Signaling by FGFR in disease","Cytosolic sensor
s of pathogen-associated DNA","Insulin receptor signalling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","PI Metabolism","Signaling by FGFR1 in disease","STING mediated induction of host
 immune responses","IRS-mediated signalling","Interleukin receptor SHC signaling","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor activation","IRF3-mediated induction of type I IFN",
"PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"AL101 (IDELALISIB",GS-1101,GS1101,SCHEMBL356400,Idelalisib,870281-82-6,870281826,CAL-101,CAL101,Zydelig,"CAL 101",1146702-54-6,1146702546,UNII-YG57I8T5M0,UNIIYG57I8T5M0,"CAL-101 (Idelalisib, GS-1101
)","CAL101 (Idelalisib, GS1101)","Idelalisib (CAL-101)","Idelalisib (CAL101)","GS 1101",(S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinaz,(S)2(1(9Hpurin6ylamino)propyl)5fluoro3phenylquinaz,
T1894,759224,S2226,SY-CAL101}

> <pdid>
PD003400

> <targets>
{PI3K-delta,PI3K}

> <classes>
{}

> <pubchem_cids>
{11625818}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 35 39  0  0  0  0            999 V2000
   16.0327   -4.1904    0.0000 Cl  0  0
   13.5319   -6.2214    0.0000 F   0  0
   12.0326   -6.2651    0.0000 C   0  0
   11.2451   -4.9884    0.0000 C   0  0
    9.7457   -5.0321    0.0000 C   0  0
    9.0370   -6.3485    0.0000 C   0  0
    9.8214   -7.6291    0.0000 C   0  0
   11.3207   -7.5854    0.0000 C   0  0
    7.5444   -6.5050    0.0000 N   0  0
    6.5409   -5.3901    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.2503    1.9635    0.0000 O   0  0
   -3.6769    1.5000    0.0000 C   0  0
   -3.6769    0.0000    0.0000 C   0  0
   -4.7909   -1.0025    0.0000 C   0  0
   -4.4790   -2.4697    0.0000 C   0  0
   -3.0524   -2.9333    0.0000 C   0  0
   -1.9377   -1.9296    0.0000 C   0  0
   -2.2503   -0.4635    0.0000 C   0  0
    5.3272   -7.4910    0.0000 C   0  0
    4.3233   -8.6055    0.0000 C   0  0
    4.7866  -10.0322    0.0000 C   0  0
    6.2538  -10.3443    0.0000 C   0  0
    7.2577   -9.2297    0.0000 C   0  0
    6.7944   -7.8031    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 19  1  0
 29 24  1  0
 11 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35  9  1  0
 35 30  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15783

> <plate>
PLATE 007

> <well>
A9

> <supplier_cmpd_name>
Siramesine hydrochloride

> <ctcr_id>
11464

> <supplier_cmpd_id>
T1885

> <smiles>
Cl.Fc1ccc(cc1)n1cc(CCCCN2CCC3(CC2)OCc2ccccc32)c2ccccc12

> <pd_targets>
{SIGMAR1,DRD2,TMEM97,HTR1A,HTR2A,ADRA1A,ADRA1B,ADRA1D}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Monoamine receptor","Dopamine receptor","Serotonin receptor","Adrenergic re
ceptor"}

> <pathway_chembl>
{"Other protein targets",Receptors,"Sigma receptors","G protein-coupled receptors","Dopamine receptors","5-Hydroxytryptamine receptors"}

> <pathway_reactome>
{Disease,"Signal Transduction","Infectious disease","Signaling by GPCR","SARS-CoV Infections","GPCR ligand binding","Potential therapeutics for SARS","Class A/1 (Rhodopsin-like receptors)","Amine liga
nd-binding receptors","Dopamine receptors","Serotonin receptors"}

> <broad_targets>
{ADRA1A,ADRA1B,ADRA1D}

> <broad_moa>
{"sigma receptor antagonist"}

> <synonyms>
{"Siramesine hydrochloride",224177-60-0,224177600,"Siramesine HCl","Siramesine (hydrochloride)",UNII-39CG1EG1SS,UNII39CG1EG1SS,39CG1EG1SS,"SiraMesine, Lu-28-179","SiraMesine, Lu28179","Lu 28-179 hydro
chloride","Lu 28179 hydrochloride",Siramesine-hydrochloride,Siramesinehydrochloride,"Siramesine (lu-28-179)","Siramesine (lu28179)",SCHEMBL7495013,B,T1885}

> <pdid>
PD062151

> <targets>
{"lysosome-destabilizing agent",¦Ò2}

> <classes>
{Autophagy,"GPCR/G Protein"}

> <pubchem_cids>
{9891778}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 30  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 S   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
   -6.5022    3.7419    0.0000 N   0  3
   -6.5045    5.2419    0.0000 O   0  0
   -5.2019    2.9942    0.0000 O   0  5
  -11.6983    3.7390    0.0000 C   0  0
  -12.9978    2.9898    0.0000 F   0  0
  -11.6978    5.2390    0.0000 F   0  0
  -12.9970    4.4896    0.0000 F   0  0
   -9.1025   -0.7622    0.0000 N   0  3
  -10.4026   -1.5103    0.0000 O   0  0
   -7.8048   -1.5144    0.0000 O   0  5
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 15 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 13 25  1  0
 25 26  2  0
 25 27  1  0
  6 28  1  0
 28 29  2  0
 29  2  1  0
M  CHG  4  18   1  20  -1  25   1  27  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15784

> <plate>
PLATE 007

> <well>
A10

> <supplier_cmpd_name>
Kobe0065

> <ctcr_id>
11465

> <supplier_cmpd_id>
T1876

> <smiles>
Cc1c(Cl)cc(NC(=S)NNc2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Kobe0065,436133-68-5,436133685,"Kobe 0065",Kobe-0065,C15H11ClF3N5O4S,Kabe-0065,Kabe0065,SCHEMBL15443888,AOB4259,EX-A370,EXA370,"Kobe 0065; Kobe-0065","Kobe 0065; Kobe0065",SYN5190,BCP28010,3766AH,MFC
D04109603,s8303,ZINC12339777,AKOS025405248,CCG-269230,CCG269230,MCULE-1454225223,MCULE1454225223,AK175816,AS-16550,AS16550,DA-334,DA334,T1876}

> <pdid>
PD012541

> <targets>
{Ras-Raf}

> <classes>
{MAPK}

> <pubchem_cids>
{3827663}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
    7.7884    1.5181    0.0000 F   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1047   -0.0031    0.0000 N   0  0
   -5.8532   -1.3040    0.0000 C   0  0
   -5.1009   -2.6017    0.0000 O   0  0
   -7.3541   -1.3071    0.0000 C   0  0
   -8.5617   -2.0571    0.0000 C   0  0
   -8.5617   -0.5571    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
    0.0000   -4.5008    0.0000 N   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    5.1821    3.0099    0.0000 N   0  0
    3.8787    3.7539    0.0000 C   0  0
    2.5835    2.9972    0.0000 O   0  0
    3.8704    5.2547    0.0000 C   0  0
    2.5670    5.9988    0.0000 C   0  0
    2.5565    7.4988    0.0000 C   0  0
    1.2523    8.2398    0.0000 C   0  0
   -0.0415    7.4808    0.0000 C   0  0
   -0.0311    5.9809    0.0000 C   0  0
    1.2731    5.2399    0.0000 C   0  0
   -1.3257    5.2215    0.0000 C   0  0
   -2.6303    5.9616    0.0000 F   0  0
   -1.3148    3.7215    0.0000 F   0  0
   -2.6191    4.4619    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 16  1  0
 12 19  1  0
 19 20  1  0
 20 10  1  0
 20 21  2  0
 21  7  1  0
 21 22  1  0
 22 23  3  0
  5 24  1  0
 24 25  2  0
 25  2  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 36 39  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15785

> <plate>
PLATE 007

> <well>
A11

> <supplier_cmpd_name>
TAK632

> <ctcr_id>
4647

> <supplier_cmpd_id>
T1886

> <smiles>
Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Cc5cccc(c5)C(F)(F)F

> <pd_targets>
{TEK,PDGFB,AURKB,MAPK14,CCNB1,CDK1,PDGFRB,RIPK1,BRAF,RAF1,CHEK1,IKBKB,FGFR3,RIPK3,PDGFA,CCNA2,CDK2,KDR,GSK3B,MAP2K1}

> <pathway_gtopdb>
{Enzyme,"Secreted protein",Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","CMGC protein kinase group","TKL protein kinase group","CAMK protein kinase group","STE protei
n kinase group","Tyrosine protein kinase Tie family","Other protein kinase AUR family","CMGC protein kinase MAPK family","CMGC protein kinase CDK family","Tyrosine protein kinase PDGFR family","TKL pr
otein kinase RIPK family","TKL protein kinase RAF family","CAMK protein kinase CAMK1 family","Other protein kinase IKK family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase VEGFR fami
ly","CMGC protein kinase GSK family","STE protein kinase STE7 family","CMGC protein kinase p38 subfamily","CMGC protein kinase CDC2 subfamily","CAMK protein kinase CHK1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs o
f yeast Sterile 7","Sterile 11","Sterile 20 kinases","TK: Tyrosine kinase","Other protein kinases","Mitogen-activated protein kinases (MAP kinases)","TKL: Tyrosine kinase-like","CAMK-like (CAMKL) fami
ly","Glycogen synthase kinase (GSK) family","STE7 family","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) family","p38 subfamily","Receptor interacting protein kinase (RIPK) family","RAF famil
y","CHK1 subfamily","IKK family","GSK subfamily","Type XII RTKs: TIE family of angiopoietin receptors","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type V RTKs: FGF (fibroblast growth facto
r) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Cell Cycle","Immune System","DNA Repair",Disease,"MAPK family signaling cascades","Intracellular signaling by second messengers",Mitotic,"Innate Immune System","Signaling by Re
ceptor Tyrosine Kinases","DNA Double-Strand Break Repair","Diseases of signal transduction by growth factor receptors and second messengers","Infectious disease","MAPK1/MAPK3 signaling","PIP3 activate
s AKT signaling","M Phase","Toll-like Receptor Cascades","Signaling by NTRKs","Homology Directed Repair","Signaling by FGFR in disease","Signaling by VEGF","SARS-CoV Infections","RAF/MAP kinase cascad
e","Negative regulation of the PI3K/AKT network","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Toll Like Receptor 4 (TLR4) Cascade","Signaling by NTRK1 (TRKA)","HDR through H
omologous Recombination (HRR) or Single Strand Annealing (SSA)","Signaling by FGFR3 in disease","VEGFA-VEGFR2 Pathway","SARS-CoV-1 Infection",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Mitotic 
Anaphase","MyD88 cascade initiated on plasma membrane","MyD88-independent TLR4 cascade","Signalling to ERKs","Negative regulation of MAPK pathway","HDR through Homologous Recombination (HRR)","Signali
ng by FGFR3 point mutants in cancer","VEGFR2 mediated cell proliferation","SARS-CoV-1 Genome Replication and Transcription","Separation of Sister Chromatids","MAP kinase activation","TRIF(TICAM1)-medi
ated TLR4 signaling","Prolonged ERK activation events","Negative feedback regulation of MAPK pathway","Homologous DNA Pairing and Strand Exchange","FGFR3 mutant receptor activation","Replication of th
e SARS-CoV-1 genome","MAPK targets/ Nuclear events mediated by MAP kinases","IKK complex recruitment mediated by RIP1","ARMS-mediated activation","Presynaptic phase of homologous DNA pairing and stran
d exchange","Signaling by activated point mutants of FGFR3","Frs2-mediated activation","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{BRAF}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{TAK-632,TAK632,1228591-30-7,1228591307,C27H18F4N4O3S,4ksp,1SU,SCHEMBL823682,CHEMBL3125890,BDBM99471,GTPL10387,EX-A242,EXA242,SYN1203,"TAK 632",CHEBI:167673,HMS3653M08,HMS3673M07,AOB87729,BCP08426,"TA
K 632; TAK 632",2742AH,MFCD26960965,NSC778809,s7291,ZINC68208189,AKO,T1886,S7291}

> <pdid>
PD010363

> <targets>
{Raf,Aurora Kinase}

> <classes>
{MAPK,Cell Cycle/DNA Damage,Epigenetics,MAPK/ERK Pathway}

> <pubchem_cids>
{46209401}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -6.4994   -0.7568    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15786

> <plate>
PLATE 007

> <well>
B2

> <supplier_cmpd_name>
CI994

> <ctcr_id>
415

> <supplier_cmpd_id>
T1888

> <smiles>
CC(=O)Nc1ccc(cc1)C(=O)Nc2ccccc2N

> <pd_targets>
{HDAC1,HDAC3,HDAC2,HDAC10,HDAC11,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Disorders of Developmental Biology","RNA Polymerase II Transcription","Disorders of Nervous System Development","Generic Transcription Pathway","Pervasive d
evelopmental disorders","Transcriptional Regulation by TP53","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Loss of MECP2 binding ability to 5mC-DNA","Loss of MECP2 bindin
g ability to the NCoR/SMRT complex","Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
{HDAC1}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Tacedinaline,112522-64-2,112522642,ci-994,ci994,4-acetamido-N-(2-aminophenyl)benzamide,4acetamidoN(2aminophenyl)benzamide,Acetyldinaline,"CI 994",4-acetylamino-N-(2'-aminophenyl)benzamide,4acetylamin
oN(2'aminophenyl)benzamide,"CI994 (Tacedinaline)",Tacedinalina,"Goe 5549",Goe-5549,Goe5549,"PD 123654",N-acetyldinaline,Nacetyldinaline,PD-123654,PD123654,T1888,S2818,CI994}

> <pdid>
PD003432

> <targets>
{HDAC,Apoptosis}

> <classes>
{Epigenetics,Apoptosis,Cell Cycle/DNA Damage}

> <pubchem_cids>
{2746}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
    3.9254   -5.8780    0.0000 C   0  0
    4.8082   -4.6653    0.0000 C   0  0
    6.2998   -4.8240    0.0000 C   0  0
    5.4168   -6.0363    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 N   0  0
   -3.8990   -0.7455    0.0000 S   0  0
   -3.8964    0.7545    0.0000 O   0  0
   -2.5988    0.0025    0.0000 O   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -5.2034   -2.9932    0.0000 C   0  0
   -3.9059   -3.7459    0.0000 F   0  0
   -6.5040   -3.7406    0.0000 C   0  0
   -7.8015   -2.9879    0.0000 C   0  0
   -7.7984   -1.4879    0.0000 C   0  0
   -6.4978   -0.7406    0.0000 C   0  0
   -6.4947    0.7594    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 S   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 N   0  0
    6.1382    2.3782    0.0000 C   0  0
    7.5955    2.7333    0.0000 N   0  0
    5.7171    0.9385    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  2  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 17  1  0
 23 24  1  0
 12 25  2  0
 25  8  1  0
 25 26  1  0
  7 27  2  0
 27 28  1  0
 28  5  1  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 35 29  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15787

> <plate>
PLATE 007

> <well>
B3

> <supplier_cmpd_name>
Dabrafenib

> <ctcr_id>
6573

> <supplier_cmpd_id>
T1903

> <smiles>
CC(C)(C)c1nc(c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)c4ccnc(N)n4

> <pd_targets>
{RIPK1,BRAF,DSTYK,RIPK2,RIPK3,ARAF,KRAS,TGFBR1,RAF1,SIK1,NEK11,LIMK1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","TKL protein kinase group","CAMK protein kinase group","Other protein kinase group","TKL protein kinase RIPK family","TKL protein kinase RAF fami
ly","TKL protein kinase STKR family","CAMK protein kinase CAMK1 family","Other protein kinase NEK family","TKL protein kinase LISK family","TKL protein kinase STKR Type 1 subfamily","CAMK protein kina
se QIK subfamily","Other protein kinase Nek11","TKL protein kinase LIMK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","3.6.5.2 Small monomeric GTPases","Kinases (EC 2.7.x.x)","Receptor kinases","RAS subfamily","CAMK: Calcium/calmodulin-dependent protein kinases","TKL: Tyrosine
 kinase-like","Other protein kinases","CAMK-like (CAMKL) family","Receptor interacting protein kinase (RIPK) family","RAF family","Other-unique family","Receptor serine/threonine kinase (RSTK) family"
,"QIK subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","LIM domain kinase (LISK) family","Type I receptor serine/threonine kinases","LIMK subfamily"}

> <pathway_reactome>
{"Immune System","Signal Transduction",Disease,"Neuronal System","Circadian Clock","Developmental Biology","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduct
ion by growth factor receptors and second messengers","Transmission across Chemical Synapses","MAPK family signaling cascades","Nervous system development","Toll-like Receptor Cascades","Signaling by 
NTRKs","Oncogenic MAPK signaling","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by TGF-beta Receptor Complex in Cancer","MAPK1/MAPK3 signaling","Axon guidance","Toll Lik
e Receptor 4 (TLR4) Cascade","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","Signaling by RAS mutants","Activation of NMDA receptors and postsynaptic events","Loss of Function of SM
AD2/3 in Cancer","RAF/MAP kinase cascade","Semaphorin interactions","MyD88-independent TLR4 cascade","Signalling to ERKs","MyD88 cascade initiated on plasma membrane","Signaling downstream of RAS muta
nts","Post NMDA receptor activation events","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Negative regulation of MAPK pathway","Sema4D in semaphorin signaling","TRIF(TICAM1)-mediated TLR4 signali
ng","Prolonged ERK activation events","MAP kinase activation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Negative feedback regulation of MAPK pathway","Sema4D 
induced cell migration and growth-cone collapse","IKK complex recruitment mediated by RIP1","ARMS-mediated activation","activated TAK1 mediates p38 MAPK activation","Ras activation upon Ca2+ influx th
rough NMDA receptor"}

> <broad_targets>
{BRAF,LIMK1,NEK11,RAF1,SIK1}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{Dabrafenib,1195765-45-7,1195765457,Tafinlar,"Dabrafenib (GSK2118436)",GSK2118436A,UNII-QGP4HA4G1B,UNIIQGP4HA4G1B,"Dabrafenib (Free Base)",QGP4HA4G1B,"GSK 2118436","1195765-45-7 (free base)","11957654
57 (free base)",CHEBI:75045,Dabrafenib-d9,Dabrafenibd9,GSK-2118436,GSK2118436,GSK-2118436A,"Dabrafenib Mesylate (GSK-2118436)","Dabrafenib Mesylate (GSK2118436)",T1903,16989,S2807,dabrafenib}

> <pdid>
PD003542

> <targets>
{Raf}

> <classes>
{MAPK}

> <pubchem_cids>
{44462760}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 29  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  5
    2.6003   -1.4977    0.0000 N   0  3
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 N   0  0
    1.3070   -5.2502    0.0000 C   0  0
    0.0093   -6.0025    0.0000 S   0  0
    2.6078   -5.9988    0.0000 N   0  0
    2.6109   -7.4996    0.0000 C   0  0
    3.9100   -8.2497    0.0000 C   0  0
    3.9100   -9.7497    0.0000 C   0  0
    2.6110  -10.4997    0.0000 C   0  0
    2.6110  -11.9997    0.0000 F   0  0
    1.3119   -9.7497    0.0000 C   0  0
    1.3119   -8.2497    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 N   0  3
   -3.8983   -0.7459    0.0000 O   0  0
   -2.6029   -2.9978    0.0000 O   0  5
    0.0000    3.0008    0.0000 C   0  0
    1.2985    3.7517    0.0000 F   0  0
   -1.2993    3.7504    0.0000 F   0  0
   -0.0007    4.5008    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
  8 22  1  0
 22 23  2  0
 22 24  1  0
  6 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
M  CHG  4   1  -1   2   1  22   1  24  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15788

> <plate>
PLATE 007

> <well>
B4

> <supplier_cmpd_name>
Kobe2602

> <ctcr_id>
11466

> <supplier_cmpd_id>
T1892

> <smiles>
[O-][N+](=O)c1cc(cc(c1NNC(=S)Nc1ccc(F)cc1)[N+](=O)[O-])C(F)(F)F

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{kobe2602,454453-49-7,454453497,kobe-2602,"1-(2,6-dinitro-4-(trifluoromethyl)anilino)-3-(4-fluorophenyl)thiourea","1(2,6dinitro4(trifluoromethyl)anilino)3(4fluorophenyl)thiourea","3-((2,6-dinitro-4-(t
rifluoromethyl)phenyl)amino)-1-(4-fluorophenyl)thiourea","3((2,6dinitro4(trifluoromethyl)phenyl)amino)1(4fluorophenyl)thiourea","Kobe 2602",SCHEMBL15443887,AOB4258,EX-A369,EXA369,BCP09425,MFCD04109605
,T1892,Kobe2602}

> <pdid>
PD012540

> <targets>
{Ras-Raf}

> <classes>
{MAPK}

> <pubchem_cids>
{3827738}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    6.3090   -5.7131    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0093    6.0025    0.0000 O   0  0
   -2.6078    5.9988    0.0000 N   0  0
   -2.6109    7.4988    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 N   0  0
   -0.7600   -8.0526    0.0000 C   0  0
   -1.7616   -9.1692    0.0000 C   0  0
   -2.6947   -6.3191    0.0000 C   0  0
   -3.6951   -7.4368    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
  9 16  2  0
 16 17  1  0
 17 18  2  0
 18  7  1  0
 18 19  1  0
 19  5  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15789

> <plate>
PLATE 007

> <well>
B5

> <supplier_cmpd_name>
Pracinostat

> <ctcr_id>
7417

> <supplier_cmpd_id>
T1890

> <smiles>
CCCCc1nc2cc(\C=C\C(=O)NO)ccc2n1CCN(CC)CC

> <pd_targets>
{HDAC2,HDAC5,HDAC11,HDAC3,HDAC10,HDAC6,HDAC4,HDAC8,HDAC1,HDAC9,HDAC7}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIa","HDAC class IV","HDAC class IIb"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Cell Cycle","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Disorders of Developmental
 Biology",Mitotic,"Generic Transcription Pathway","Signaling by NOTCH1 in Cancer","Disorders of Nervous System Development","M Phase","Transcriptional Regulation by TP53","Signaling by NOTCH1 HD+PEST 
Domain Mutants in Cancer","Pervasive developmental disorders","Transcriptional regulation by RUNX2","Mitotic Metaphase and Anaphase","Regulation of TP53 Activity","Constitutive Signaling by NOTCH1 HD+
PEST Domain Mutants","Loss of function of MECP2 in Rett syndrome","RUNX2 regulates bone development","Mitotic Anaphase","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability
 to the NCoR/SMRT complex","RUNX2 regulates osteoblast differentiation","RUNX2 regulates chondrocyte maturation","Separation of Sister Chromatids","Loss of MECP2 binding ability to 5mC-DNA"}

> <broad_targets>
{HDAC1,HDAC10,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Pracinostat,929016-96-6,929016966,SB939,"SB 939","Pracinostat (SB939)",SB-939,UNII-GPO2JN4UON,UNIIGPO2JN4UON,GPO2JN4UON,CHEMBL1851943,"Pracinostat (INN)",pracinostatum,"SB939,Pracinostat",Pracinostat
(SB939),"SB939 (Pracinostat)",cc-70,cc70,MLS006011217,SCHEMBL833,S1515}

> <pdid>
PD010994

> <targets>
{HDAC}

> <classes>
{}

> <pubchem_cids>
{49855250}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 16 16  0  0  0  0            999 V2000
    5.1873   -7.5109    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 14 16  2  0
 16  9  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15790

> <plate>
PLATE 007

> <well>
B6

> <supplier_cmpd_name>
NSC 405020

> <ctcr_id>
2299

> <supplier_cmpd_id>
T1891

> <smiles>
CCCC(C)NC(=O)c1ccc(Cl)c(Cl)c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{MMP1}

> <broad_moa>
{"matrix metalloprotease inhibitor"}

> <synonyms>
{"NSC 405020",7497-07-6,7497076,"3,4-dichloro-N-(pentan-2-yl)benzamide","3,4dichloroN(pentan2yl)benzamide",NSC-405020,NSC405020,"3,4-dichloro-N-pentan-2-ylbenzamide","3,4dichloroNpentan2ylbenzamide","
3,4-Dichloro-N-(1-Methylbutyl)benza-Mide","3,4DichloroN(1Methylbutyl)benzaMide","3,4-Dichloro-N-(1-methylbutyl)benzamide","3,4DichloroN(1methylbutyl)benzamide",STK029746,CHEMBL4303335,AOB6759,DTXSID,T
1891,S8072}

> <pdid>
PD010462

> <targets>
{MMP}

> <classes>
{Proteases}

> <pubchem_cids>
{346721}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 29  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.5993    0.0004    0.0000 O   0  0
   10.2954    2.2466    0.0000 N   0  0
   10.2980    0.7466    0.0000 C   0  0
    8.9994   -0.0057    0.0000 S   0  0
    7.6981    0.7421    0.0000 C   0  0
    7.6981    2.2421    0.0000 C   0  0
    6.3990    2.9921    0.0000 C   0  0
    5.1000    2.2421    0.0000 C   0  0
    5.1000    0.7421    0.0000 C   0  0
    6.3990   -0.0079    0.0000 C   0  0
    6.3990   -1.5079    0.0000 N   0  0
   11.5993   -0.0011    0.0000 C   0  0
   11.6020   -1.5020    0.0000 C   0  0
   11.6046   -3.0020    0.0000 N   0  0
   12.8980    0.7511    0.0000 C   0  0
   12.8954    2.2520    0.0000 C   0  0
   12.8928    3.7520    0.0000 N   0  0
   14.1993    0.0034    0.0000 C   0  0
   14.2019   -1.4966    0.0000 N   0  0
   15.4980    0.7557    0.0000 S   0  0
   16.7993    0.0079    0.0000 C   0  0
   16.7994   -1.4921    0.0000 C   0  0
   18.0985   -2.2421    0.0000 C   0  0
   19.3975   -1.4921    0.0000 C   0  0
   19.3974    0.0079    0.0000 C   0  0
   18.0984    0.7579    0.0000 C   0  0
   18.0984    2.2579    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
  5 14  2  3
 14 15  1  0
 15 16  3  0
 14 17  1  0
 17 18  1  0
 18 19  3  0
 17 20  2  3
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15791

> <plate>
PLATE 007

> <well>
B7

> <supplier_cmpd_name>
U0126-EtOH

> <ctcr_id>
6954

> <supplier_cmpd_id>
T6223

> <smiles>
CCO.NC(Sc1ccccc1N)=C(C#N)C(C#N)=C(N)Sc2ccccc2N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{0126ETO,1173097-76-1,1173097761,"U0126 Ethanol",HMS3654G21,BCP05458,AK548481,T6223,S1102,U0126-EtOH}

> <pdid>
PD014850

> <targets>
{MEK}

> <classes>
{MAPK}

> <pubchem_cids>
{91997702}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 34  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2004   -2.9933    0.0000 N   0  0
    6.4995   -3.7432    0.0000 C   0  0
    7.7985   -2.9932    0.0000 N   0  0
    7.7985   -1.4932    0.0000 C   0  0
    8.9127   -0.4902    0.0000 N   0  0
    8.3026    0.8801    0.0000 C   0  0
    6.8108    0.7233    0.0000 N   0  0
    6.4994   -0.7432    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12  4  1  0
 12  8  2  0
  2 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 15  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 13  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15792

> <plate>
PLATE 007

> <well>
B8

> <supplier_cmpd_name>
Duvelisib

> <ctcr_id>
2672

> <supplier_cmpd_id>
T1988

> <smiles>
CC(Nc1ncnc2nc[nH]c12)C3=Cc4cccc(Cl)c4C(=O)N3c5ccccc5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{"PI145 (INK1197",IPI-145;INK1197,IPI145;INK1197,8-chloro-2-phenyl-3-((1S)-1-(7H-purin-6-ylamino)ethyl)isoquinolin-1-one,8chloro2phenyl3((1S)1(7Hpurin6ylamino)ethyl)isoquinolin1one,"Duvelisib R enanti
omer","Duvelisib, INK-1197","Duvelisib, INK1197",SCHEMBL153544,CHEMBL3969872,SCHEMBL19457406,SCHEMBL20580106,HMS3652L16,HMS3748K21,1261590-48-0,1261590480,AKOS0,T1988,S7028,Duvelisib,"IPI-145 (INK1197
)"}

> <pdid>
PD056013

> <targets>
{PI3K}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{58008990}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
    6.4924   -3.7566    0.0000 N   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2984   -3.7504    0.0000 C   0  0
    0.0020   -3.0025    0.0000 C   0  0
    1.2998   -3.7545    0.0000 C   0  0
    1.2974   -5.2545    0.0000 C   0  0
   -0.0028   -6.0025    0.0000 C   0  0
   -1.3006   -5.2504    0.0000 C   0  0
   -0.0052   -7.5033    0.0000 C   0  0
    1.2922   -8.2562    0.0000 F   0  0
   -1.3056   -8.2508    0.0000 F   0  0
   -0.0082   -9.0033    0.0000 F   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 24 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
 19 30  1  0
 30 14  2  0
 30 31  1  0
 31 11  1  0
 31 32  2  0
 32  8  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15793

> <plate>
PLATE 007

> <well>
B9

> <supplier_cmpd_name>
Torin 2

> <ctcr_id>
4560

> <supplier_cmpd_id>
T6100

> <smiles>
Nc1ccc(cn1)c2ccc3ncc4C=CC(=O)N(c5cccc(c5)C(F)(F)F)c4c3c2

> <pd_targets>
{PIK3CD,PIK3R1,PIK3C2B,MTOR,PIK3CG,PI4KB,PRKDC,PIK3C3,PIK3CA,PIK3C2A,MLST8,RPTOR,ATR,ATM}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,"Phosphatidylinositol-4-phosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family",Phosphatidylinosit
ol-4,"5-bisphosphate 3-kinase family","1-phosphatidylinositol 4-kinase family","Phosphatidylinositol 3-kinase family","FRAP subfamily","Other PIKK family kinases","ATR subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Immune System","Signal Transduction","DNA Repair",Disease,"Cell Cycle","Metabolism of lipids","RNA Polymerase II Transcription","Innate Immune System","S
ignaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","DNA Double-Strand Break Repair","Diseases of signal transduction by growth factor receptors and second messengers","Cell C
ycle Checkpoints","Phospholipid metabolism","Generic Transcription Pathway","Cytosolic sensors of pathogen-associated DNA","Signaling by Insulin receptor","Signaling by Interleukins","Homology Directe
d Repair","Signaling by FGFR in disease","G1/S DNA Damage Checkpoints","PI Metabolism","Transcriptional Regulation by TP53","STING mediated induction of host immune responses","Insulin receptor signal
ling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Signaling by FGFR1 in disease","p53-Dependent G1/S DNA d
amage checkpoint","Synthesis of PIPs at the plasma membrane","Regulation of TP53 Activity","Synthesis of PIPs at the Golgi membrane","IRF3-mediated induction of type I IFN","IRS-mediated signalling","
Interleukin receptor SHC signaling","Synthesis of PIPs at the early endosome membrane","HDR through Homologous Recombination (HRR)","FGFR1 mutant receptor activation","p53-Dependent G1 DNA Damage Resp
onse","Regulation of TP53 Expression and Degradation","PI3K Cascade","Homologous DNA Pairing and Strand Exchange","Signaling by cytosolic FGFR1 fusion mutants","Stabilization of p53","Regulation of TP
53 Degradation","Presynaptic phase of homologous DNA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{"Torin 2",1223001-51-1,1223001511,Torin2,Torin-2,CHEMBL1765602,C24H15F3N4O,CHEBI:90682,cc-275,cc275,MLS006011167,GTPL8839,SCHEMBL6876328,AOB3537,DTXSID00679917,EX-A431,EXA431,HMS3265O05,HMS3265O06,HM
S3265P05,HMS3265P06,HMS3651N13,BCP02612,ABP000908,BDBM50341209,MFCD187826,T6100,S2817}

> <pdid>
PD010558

> <targets>
{mTOR,ATM/ATR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{51358113}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 36 37  0  0  1  0            999 V2000
    6.8594   -0.2862    0.0000 C   0  0
    5.8760    0.8464    0.0000 C   0  0
    4.4000    0.5600    0.0000 C   0  0
    4.2200   -1.1700    0.0000 N   0  0
    2.7300   -2.3100    0.0000 C   0  0
    3.3354   -3.6824    0.0000 O   0  0
    1.0600   -2.6100    0.0000 C   0  0  1  0  0  0
    0.5100   -1.7100    0.0000 C   0  0
    1.1200   -0.8600    0.0000 S   0  0
    1.1200    0.1700    0.0000 S   0  0
    0.1700    0.8900    0.0000 C   0  0
   -0.7300    0.2000    0.0000 C   0  0
   -2.2400    0.4400    0.0000 C   0  0
   -2.2400    1.3600    0.0000 C   0  0
   -3.5000    1.7400    0.0000 C   0  0  2  0  0  0
   -4.3000    0.3600    0.0000 C   0  0
   -3.0600   -0.8000    0.0000 C   0  0
   -1.5902   -0.5006    0.0000 O   0  0
   -3.6400   -2.1100    0.0000 N   0  0
   -2.7700   -3.5200    0.0000 C   0  0  2  0  0  0
   -3.7604   -4.6549    0.0000 C   0  0
   -5.2325   -4.3670    0.0000 C   0  0
   -3.2741   -6.0739    0.0000 C   0  0
   -1.3000   -4.2000    0.0000 C   0  0
   -1.5134   -5.6847    0.0000 O   0  0
    0.3800   -3.9500    0.0000 N   0  0
   -3.5000    2.9300    0.0000 O   0  0
   -1.6300    3.7800    0.0000 C   0  0
   -1.9475    5.2460    0.0000 O   0  0
    0.9600    3.7800    0.0000 C   0  0  1  0  0  0
    1.8200    2.1800    0.0000 N   0  0
    3.3500    2.1800    0.0000 C   0  0
    4.0663    3.4979    0.0000 O   0  0
    1.8359    4.9889    0.0000 C   0  0
    1.2289    6.3606    0.0000 C   0  0
    3.3274    4.8292    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 15 14  1  6
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  1
 21 22  1  0
 21 23  1  0
 20 24  1  0
 24 25  2  0
 24 26  1  0
 26  7  1  0
 15 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32  3  1  0
 32 33  2  0
 30 34  1  6
 34 35  1  0
 34 36  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15794

> <plate>
PLATE 007

> <well>
B10

> <supplier_cmpd_name>
Romidepsin

> <ctcr_id>
723

> <supplier_cmpd_id>
T6006

> <smiles>
C/C=C/1NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](NC1=O)C(C)C

> <pd_targets>
{HDAC8,HDAC6,BRD4,HDAC9,HDAC1,HDAC2,HDAC4,HDAC3,NCOR2,HDAC7,NCOR1,HDAC10,HDAC11,HDAC5}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,Reader,"Histone deacetylase",Bromodomain,"HDAC class I","HDAC class IIb","HDAC class IIa","HDAC class IV"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)","Enzymatic bromodomain-containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Disease,Mitotic,"RNA Polymerase II Transcription","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers
","Disorders of Developmental Biology","M Phase","Generic Transcription Pathway","SARS-CoV Infections","Signaling by NOTCH1 in Cancer","Disorders of Nervous System Development","Mitotic Metaphase and 
Anaphase","Transcriptional regulation by RUNX2","Potential therapeutics for SARS","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Pervasive developmental disorders","Transcriptional Regulation
 by TP53","Mitotic Anaphase","RUNX2 regulates bone development","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Se
paration of Sister Chromatids","RUNX2 regulates osteoblast differentiation","Loss of MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through Acetylation","RUNX2 regulates chondrocyte ma
turation","Loss of MECP2 binding ability to the NCoR/SMRT complex"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Romidepsin,FK228,Depsipeptide,Istodax,"Antibiotic FR 901228",FR901228,128517-07-7,128517077,Chromadax,FK-228,"FR 901228",FR-901228,NSC-630176,NSC630176,C24H36N4O6S2,"FK 228",CHEMBL343448,CHEBI:61080,
NSC754143,UNII-CX3T89XQBK,UNIICX3T89XQBK,"Istodax (TN)",CX3T89XQBK,H,T6006,754143,"NSC 754143"}

> <pdid>
PD054134

> <targets>
{Apoptosis,HDAC}

> <classes>
{HDAC inhibitor,Apoptosis,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{5352062}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 34 34  0  0  1  0            999 V2000
   10.3716  -16.5265    0.0000 C   0  0
   10.3737  -15.0265    0.0000 C   0  0
   11.6740  -14.2788    0.0000 C   0  0
    9.0755  -14.2734    0.0000 C   0  0
    9.0776  -12.7726    0.0000 C   0  0  2  0  0  0
    7.7794  -12.0195    0.0000 N   0  0
    7.7815  -10.5187    0.0000 C   0  0
    9.0819   -9.7710    0.0000 O   0  0
    6.4833   -9.7656    0.0000 C   0  0  2  0  0  0
    5.1807  -10.5111    0.0000 C   0  0
    3.8834   -9.7566    0.0000 C   0  0
    2.5815  -10.5016    0.0000 C   0  0
    3.8868   -8.7566    0.0000 C   0  0
    6.4855   -8.2648    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    4.3204   -8.0102    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0  2  0  0  0
    6.4889   -5.2601    0.0000 C   0  0
    6.4894   -3.7592    0.0000 C   0  0
    7.7882   -3.0088    0.0000 C   0  0
    5.6234   -3.2592    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    4.7602   -3.2585    0.0000 O   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   10.3771  -12.0218    0.0000 C   0  0
   10.3776  -10.5218    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  1  0
 11 13  1  0
  9 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  1
 18 19  1  0
 19 20  1  0
 19 21  1  0
 17 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
  5 33  1  0
 33 34  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15795

> <plate>
PLATE 007

> <well>
B11

> <supplier_cmpd_name>
MG-132

> <ctcr_id>
7220

> <supplier_cmpd_id>
T2154

> <smiles>
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O

> <pd_targets>
{CAPN9,CAPN2,CTSB,CTSK,PSMB5,ALDH1A1,PSMB1,PSMB2,PSMB9,PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB10,PSMB11,PSMB3,PSMB4,PSMB6,PSMB7,PSMB8,NFKBIA}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Hydrolase,Protease,Oxidoreductase,"Cysteine protease","Threonine protease","Cysteine protease CA clan","Threonine protease PBT clan","Cysteine protease C2 family","Cy
steine protease C1A family","Threonine protease T1A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","CA: Cysteine (C) Peptidases","PB: Threonine (T) Peptidases","C2: Calpain","C1: Papain","T1: Proteasome"}

> <pathway_reactome>
{"Extracellular matrix organization",Disease,"Immune System","Gene expression (Transcription)","Cell Cycle",Metabolism,"Degradation of the extracellular matrix","Diseases of programmed cell death","In
nate Immune System","RNA Polymerase II Transcription",Mitotic,"Biological oxidations","Neurodegenerative Diseases","Toll-like Receptor Cascades","Generic Transcription Pathway","Regulation of mitotic 
cell cycle","Phase I - Functionalization of compounds","Deregulated CDK5 triggers multiple neurodegenerative pathways in Alzheimer's disease models","Trafficking and processing of endosomal TLR","Tran
scriptional regulation by RUNX1","APC/C-mediated degradation of cell cycle proteins","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","RUNX1 regulates transcription of genes involved in diffe
rentiation of keratinocytes","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","MyD88 cascade initiated on plasma membrane","APC/C:Cdc20 mediated degradation of mitotic pr
oteins","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho
-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{PSMB1}

> <broad_moa>
{"proteasome inhibitor"}

> <synonyms>
{G13,BRD-K60230970-001-04-3,BRDK60230970001043,BRD-K60230970-001-05-0,BRDK60230970001050,BRD-K60230970-001-06-8,BRDK60230970001068,BRD-K60230970-001-07-6,BRDK60230970001076,BRD-K60230970-001-08-4,BRDK
60230970001084,BRD-K60230970-001-10-0,BRDK60230970001100,"MG-132 - CAS 133407-82-6","MG132  CAS 133407826",MG-132,MG132,133407-82-6,133407826,Z-Leu-leu-leu-al,ZLeuleuleual,"MG 132",Zlllal,Z-LLL-CHO,ZL
LLCHO,Zlll-cho,Zlllcho,Z-Leu-,ZLeu,S2619}

> <pdid>
PD003402

> <targets>
{Proteasome}

> <classes>
{}

> <pubchem_cids>
{462382}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 40 44  0  0  0  0            999 V2000
    9.0907   -5.2832    0.0000 C   0  0
    7.7876   -6.0260    0.0000 C   0  0
    6.4915   -5.2692    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
    1.2931   -5.2490    0.0000 O   0  0
    2.5844   -7.5034    0.0000 N   0  0
    3.8808   -8.2579    0.0000 C   0  0
    5.1824   -7.5124    0.0000 C   0  0
    3.8756   -9.7579    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 C   0  0
    1.8032    3.1233    0.0000 N   0  0
    0.3114    2.9665    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 N   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
   -6.4978   -0.7563    0.0000 N   0  0
   -6.5026    0.7438    0.0000 C   0  0
   -7.8041    1.4897    0.0000 C   0  0
   -9.1007    0.7355    0.0000 N   0  0
   -9.0959   -0.7645    0.0000 C   0  0
   -7.7945   -1.5103    0.0000 C   0  0
  -10.4021    1.4814    0.0000 C   0  0
   -0.6890    4.0818    0.0000 C   0  0
   -0.2237    5.5078    0.0000 C   0  0
   -2.1567    3.7722    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10  4  1  0
  9 11  1  0
  5 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 17  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 16  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 27 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 31  1  0
 34 37  1  0
 20 38  1  0
 38 39  1  0
 38 40  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15796

> <plate>
PLATE 007

> <well>
C2

> <supplier_cmpd_name>
GSK343

> <ctcr_id>
11467

> <supplier_cmpd_id>
T6059

> <smiles>
CCCc1c(c(=O)[nH]c(c1)C)CNC(=O)c1c2cnn(c2cc(c1)c1cc(ncc1)N1CCN(CC1)C)C(C)C

> <pd_targets>
{EED,EZH2,RBBP4,RBBP7,SUZ12,SETD7,EZH1,AEBP2,PRMT3}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase","SET domain","Protein arginine methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","L-Arginine turnover","2.1.1.43 Histone methyltransferases (HMTs)","2.1.1.- Protein arginine N-methyltransferases"}

> <pathway_reactome>
{"Signal Transduction","Chromatin organization","Intracellular signaling by second messengers","Chromatin modifying enzymes","PIP3 activates AKT signaling","PKMTs methylate histone lysines","RMTs meth
ylate histone arginines","PTEN Regulation","Regulation of PTEN gene transcription"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1346704-33-3,1346704333,GSK-343,"GSK 343",CHEMBL2204995,C31H39N7O2,"compound 6 (PMID 24900432)",GTPL8240,SCHEMBL14716863,AOB3680,EX-A244,EXA244,SYN5151,CHEBI:167693,HMS3740C09,BCP07777,2449AH,BDBM504
00778,MFCD25563250,ZINC95564006,AKOS025405231,CS-1626,CS1626,NCGC00,T6059,GSK343}

> <pdid>
PD000032

> <targets>
{EZH1,EZH2,Autophagy,Histone Methyltransferase}

> <classes>
{Chromatin/Epigenetic,Autophagy,Epigenetics}

> <pubchem_cids>
{71268957}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    6.5017   -0.7634    0.0000 C   0  0
    5.2001   -1.5088    0.0000 O   0  0
    5.1939   -3.0097    0.0000 C   0  0
    6.4914   -3.7623    0.0000 C   0  0
    6.4883   -5.2623    0.0000 C   0  0
    5.1877   -6.0097    0.0000 C   0  0
    3.8902   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 S   0  0
    1.2948   -3.7516    0.0000 O   0  0
    1.2973   -2.2519    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 16  1  0
 23 24  2  0
 24 13  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15797

> <plate>
PLATE 007

> <well>
C3

> <supplier_cmpd_name>
PFI-1

> <ctcr_id>
1547

> <supplier_cmpd_id>
T6222

> <smiles>
COc1ccccc1S(=O)(=O)Nc2ccc3NC(=O)N(C)Cc3c2

> <pd_targets>
{BRD4,CREBBP}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Writer,Bromodomain,"Histone acetyltransferase","p300/CBP family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","Non-enzymatic BRD containing proteins","Bromodomain kinase
 (BRDK) family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","SARS-CoV Infections","Generic Transcription Pathway","Potential therapeutics for SARS","Transcription
al Regulation by TP53","TP53 Regulates Transcription of Cell Death Genes","TP53 Regulates Transcription of Genes Involved in Cytochrome C Release"}

> <broad_targets>
{BRD4}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{"FI1 (PF6405761",PFI-1,PFI1,1403764-72-6,1403764726,"PFI-1 (PF-6405761)","PFI1 (PF6405761)",PF-6405761,PF6405761,PF-06405761,PF06405761,HY-16586,HY16586,QCR-192,QCR192,"PFI 1",CHEMBL2179387,C16H17N3O
4S,"2-methoxy-N-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)benzenesulfonamide","2methoxyN(3methyl2oxo1,4dihydroquinazolin6yl)benzenesulfonamide",GTPL7523,SCHEMBL14721611,CHEBI:95079,AOB2223,T6222,S121
6,"PFI-1
(PF-6405761)"}

> <pdid>
PD000013

> <targets>
{Others,"Epigenetic Reader Domain"}

> <classes>
{Epigenetics}

> <pubchem_cids>
{71271629}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 21 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8933   -3.7570    0.0000 O   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -5.1894   -6.0109    0.0000 C   0  0
   -5.1872   -7.5117    0.0000 C   0  0
   -6.4854   -8.2648    0.0000 C   0  0
   -6.4833   -9.7657    0.0000 C   0  0
   -7.7815  -10.5188    0.0000 C   0  0
   -9.0818   -9.7710    0.0000 O   0  0
   -7.7793  -12.0196    0.0000 N   0  0
   -9.0768  -12.7723    0.0000 O   0  0
    0.0000    3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
  4 21  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15798

> <plate>
PLATE 007

> <well>
C4

> <supplier_cmpd_name>
LMK-235

> <ctcr_id>
11468

> <supplier_cmpd_id>
T6061

> <smiles>
Cc1cc(cc(c1)C(=O)NOCCCCCC(=O)NO)C

> <pd_targets>
{HDAC4,HDAC2,HDAC1,HDAC8,HDAC5,HDAC11,HDAC6,HDAC10,HDAC3,HDAC7,HDAC9}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class IIa","HDAC class I","HDAC class IV","HDAC class IIb"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Cell Cycle","RNA Polymerase II Transcription","Disorders of Developmental Biology",Mitotic,"Diseases of signal transduction by growth factor receptors and s
econd messengers","Generic Transcription Pathway","Disorders of Nervous System Development","M Phase","Signaling by NOTCH1 in Cancer","Transcriptional regulation by RUNX2","Transcriptional Regulation 
by TP53","Pervasive developmental disorders","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","RUNX2 regulates bone development","Regulation of TP53 Activity","L
oss of function of MECP2 in Rett syndrome","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","RUNX2 regulates chondrocyte maturation","Regulation of TP53 Activity through Ac
etylation","Loss of MECP2 binding ability to 5mC-DNA","Separation of Sister Chromatids","RUNX2 regulates osteoblast differentiation"}

> <broad_targets>
{HDAC4,HDAC5}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{MK23,LMK-235,LMK235,1418033-25-6,1418033256,"LMK 235","N-((6-(hydroxyamino)-6-oxohexyl)oxy)-3,5-dimethylbenzamide","N((6(hydroxyamino)6oxohexyl)oxy)3,5dimethylbenzamide",CHEMBL2312168,"N-(6-(hydroxya
mino)-6-oxohexoxy)-3,5-dimethylbenzamide","N(6(hydroxyamino)6oxohexoxy)3,5dimethylbenzamide","N-((6-(Hydroxyamino)-6-oxohexyl)oxy)-3,5-dimethyl-benzamide","N((6(Hydroxyamino)6oxohexyl)oxy)3,5dimethylb
enzamide",N-((6-(Hydroxyamino)-,N((6(Hydroxyamino),T6061}

> <pdid>
PD012268

> <targets>
{HDAC4,HDAC5}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{71520717}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 S   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 N   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.8193    4.6606    0.0000 C   0  0
   -4.0353    5.9336    0.0000 C   0  0
   -4.7489    7.2530    0.0000 C   0  0
   -6.2483    7.2947    0.0000 C   0  0
   -6.9619    8.6141    0.0000 F   0  0
   -7.0341    6.0170    0.0000 C   0  0
   -6.3205    4.6976    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 N   0  0
   -6.4469    1.8311    0.0000 C   0  0
   -7.4153    2.9701    0.0000 C   0  0
   -8.8906    2.6991    0.0000 C   0  0
   -9.3937    1.2860    0.0000 N   0  0
   -8.4213    0.1438    0.0000 C   0  0
   -6.9460    0.4147    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
 12 20  2  0
 20 21  1  0
 21 10  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15799

> <plate>
PLATE 007

> <well>
C5

> <supplier_cmpd_name>
SB203580

> <ctcr_id>
4877

> <supplier_cmpd_id>
T1764

> <smiles>
C[S](=O)c1ccc(cc1)c2[nH]c(c3ccc(F)cc3)c(n2)c4ccncc4

> <pd_targets>
{TNNI3K,GSK3B,RPS6KA6,MAPK14,MAPK11,MAPK12,MAPK13,TGFBR1,ACVR1B,LCK,TYK2,NLK,KMT2A,MEN1,HSD17B10,CSNK1A1,RAF1,MAPK9,EGFR,CYP2D6,TTK,RIPK2,GAK,CSNK1D,BRAF,MAP2K1,MAP2K2,CYP1A2,CYP3A4,HTR4,FRK,MAPK10,ST
K36,PTK6,SLK,TNIK,CDC42BPG,CDPK1,TXK,CDC42BPB,MAPK-1,RPS6KA1,EPHA6,SRC,MAPK1,STK32B,LEF,ERBB4,ALDH1A1,EPHB2,CSNK1E,PRKCA,PRKCB,PRKCD,PRKCE,PRKCG,PRKCH,PRKCI,PRKCQ,PRKCZ,PRKD1,PRKD3,CYP2C9,CYP2C19,MAPK
8,MAP4K4,MET,CIT,COQ8B,TGFBR2,PTGS1,ABL1,SIK2,KDM4E,SIK3,STK32A,ALOX5,TEK,DDR2,P2RX7,DDR1,ALOX15,HPGD,MAP2K5,FLT4,MAP3K20,CSNK1A1L,CDC42BPA,GCGR,PRKACA,PRKACB,PRKACG,TSHR,MINK1,BMPR1B,PIP5K1C,PRKD2,EP
HB6,TBXAS1,PDE5A,ADORA1,ADORA2A,CHRM1,ERBB2,TYR}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Ion channel","Unclassified protein",Kinase,Reader,Oxidoreductase,"Cytochrome P450","Family A G protein-coupled receptor",Protease,Eraser,"Ligand-gat
ed ion channel","Family B G protein-coupled receptor",Transferase,Phosphodiesterase,"Protein Kinase",Bromodomain,"Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 3","Small
 molecule receptor (family A GPCR)","Metallo protease","Lysine demethylase","P2X receptor","Peptide receptor (family B GPCR)","Peptide receptor (family A GPCR)","Cytochrome P450 family 5","Phosphodies
terase 5","TKL protein kinase group","CMGC protein kinase group","AGC protein kinase group","TK protein kinase group","CK1 protein kinase group","Cytochrome P450 family 2D","Other protein kinase group
","STE protein kinase group","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Monoamine receptor","Metallo protease MAE clan","Cytochrome P450 family 2C","Atypical protein kinase group","CAMK 
protein kinase group","Jumonji domain-containing","Glucagon-like receptor","Glycohormone receptor","Cytochrome P450 family 5A","Phosphodiesterase 5A","Nucleotide-like receptor (family A GPCR)","TKL pr
otein kinase MLK family","CMGC protein kinase GSK family","AGC protein kinase RSK family","CMGC protein kinase MAPK family","TKL protein kinase STKR family","Tyrosine protein kinase Src family","Tyros
ine protein kinase JakA family","CK1 protein kinase CK1 family","TKL protein kinase RAF family","Tyrosine protein kinase EGFR family","Cytochrome P450 2D6","Other protein kinase TTK family","TKL prote
in kinase RIPK family","Other protein kinase NAK family","STE protein kinase STE7 family","Cytochrome P450 1A1","Cytochrome P450 3A4","Serotonin receptor","Other protein kinase ULK family","STE protei
n kinase STE20 family","AGC protein kinase DMPK family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Eph family","AGC protein kinase YANK family","Metallo protease M34 family","AGC pr
otein kinase PKC family","Cytochrome P450 2C9","Cytochrome P450 2C19","Tyrosine protein kinase Met family","Atypical protein kinase ABC1 family","Tyrosine protein kinase Abl family","CAMK protein kina
se CAMK1 family","Tyrosine protein kinase Tie family","Tyrosine protein kinase DDR family","Tyrosine protein kinase VEGFR family","Glucagon receptor","AGC protein kinase PKA family","CAMK protein kina
se PKD family","Cytochrome P450 5A1","Adenosine receptor","Acetylcholine receptor","TKL protein kinase HH498 subfamily","AGC protein kinase RSK subfamily","CMGC protein kinase p38 subfamily","TKL prot
ein kinase STKR Type 1 subfamily","CMGC protein kinase nmo subfamily","CMGC protein kinase JNK subfamily","STE protein kinase SLK subfamily","STE protein kinase MSN subfamily","AGC protein kinase GEK 
subfamily","CMGC protein kinase ERK1","AGC protein kinase PKC alpha subfamily","AGC protein kinase CRIK subfamily","Atypical protein kinase ABC1-A subfamily","TKL protein kinase STKR Type 2 subfamily"
,"CAMK protein kinase QIK subfamily","TKL protein kinase MLK subfamily","CK1 protein kinase CK1-a"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Catalytic receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","G protein-coupled receptors","Eicosanoid turnover","Chromatin modifying enzymes","Ligand-gated ion cha
nnels","Cyclic nucleotide turnover/signalling","1.-.-.- Oxidoreductases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase
 1","CYP2 family: drug metabolising subset","CYP1 family","CYP3 family","5-Hydroxytryptamine receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",Atypical,Cyclooxygenase,"CA
MK: Calcium/calmodulin-dependent protein kinases","1.14.11.- Histone demethylases",Lipoxygenases,"P2X receptors","Prostaglandin synthases","Glucagon receptor family","Glycoprotein hormone receptors","
Lipid modifying kinases",CYP5,"CYP7 and CYP8 families",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","Adenosine receptors","Acetylcholine receptors (muscarinic)","TKL: Tyrosine kinase-like","Gly
cogen synthase kinase (GSK) family","RSK family","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","Casein kinase 1 (CK1) family","Other protein kinases","STE20 family","DMPK fam
ily","YANK family","STE7 family","ABC1 family","CAMK-like (CAMKL) family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","Protein kinase D (PKD) family","Mixed Lineage Kinas
e (MLK) family","GSK subfamily","RSK subfamily","p38 subfamily","Receptor serine/threonine kinase (RSTK) family","Non-receptor tyrosine kinases (nRTKs)","nmo subfamily","RAF family","JNK subfamily","R
eceptor tyrosine kinases (RTKs)","TTK family","Receptor interacting protein kinase (RIPK) family","Numb-associated kinase (NAK) family","Unc-51-like kinase (ULK) family","SLK subfamily","MSN subfamily
","GEK subfamily","ERK subfamily","Other DMPK family kinases","ABC1-B subfamily","QIK subfamily","HH498 subfamily","Type I receptor serine/threonine kinases","Src family","Janus kinase (JakA) family",
"Type I RTKs: ErbB (epidermal growth factor) receptor family","Tec family","Type XIII RTKs: Ephrin receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type II receptor seri
ne/threonine kinases","Abl family","Type XII RTKs: TIE family of angiopoietin receptors","Type XVI RTKs: DDR (collagen receptor) family","Type IV RTKs: VEGF (vascular endothelial growth factor) recept
or family","MLK subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Immune System","Developmental Biology","Signal Transduction",Metabolism,"Vesicle-mediated transport","Cell Cycle","Cellular responses to external stimuli","Extracellular ma
trix organization",Hemostasis,"Infectious disease","Transmission across Chemical Synapses","Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Si
gnaling by NODAL","Cytokine Signaling in Immune system","Signaling by WNT","Metabolism of amino acids and derivatives","MAPK family signaling cascades","Signaling by GPCR","Biological oxidations","Sig
naling by Receptor Tyrosine Kinases","Membrane Trafficking",Mitotic,"Metabolism of lipids","Intracellular signaling by second messengers","Cellular responses to stress","Nervous system development","S
ignaling by Rho GTPases","Non-integrin membrane-ECM interactions","Signaling by TGFB family members","Platelet homeostasis","SARS-CoV Infections","Neurotransmitter receptors and postsynaptic signal tr
ansmission","Toll-like Receptor Cascades","Signaling by TGF-beta Receptor Complex in Cancer","Regulation of signaling by NODAL","HIV Infection","Interferon Signaling","Beta-catenin independent WNT sig
naling","Branched-chain amino acid catabolism","Signaling by WNT in cancer","MAPK1/MAPK3 signaling","GPCR downstream signalling","Phase I - Functionalization of compounds","Signaling by NTRKs","trans-
Golgi Network Vesicle Budding","Mitotic G2-G2/M phases","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","PIP3 activates AKT signaling","Mitotic G1 phase and G1/S tra
nsition","Cellular Senescence","Fc epsilon receptor (FCERI) signaling","Axon guidance","Uptake and actions of bacterial toxins","RHO GTPase Effectors","Fatty acid metabolism","Signaling by VEGF","Sign
aling by BMP","Sphingolipid metabolism","Nitric oxide stimulates guanylate cyclase","GPCR ligand binding","Melanin biosynthesis","SARS-CoV-1 Infection","Activation of NMDA receptors and postsynaptic e
vents","Toll Like Receptor 5 (TLR5) Cascade","Loss of Function of SMAD2/3 in Cancer","Host Interactions of HIV factors","Interferon alpha/beta signaling","Ca2+ pathway","Signaling by AMER1 mutants","R
AF/MAP kinase cascade","G alpha (q) signalling events","Cytochrome P450 - arranged by substrate type","Signaling by NTRK1 (TRKA)","Golgi Associated Vesicle Biogenesis","G2/M Transition","Biosynthesis 
of DHA-derived SPMs","Leishmania parasite growth and survival","PTEN Regulation","G1 Phase","Oxidative Stress Induced Senescence","FCERI mediated Ca+2 mobilization","EPH-Ephrin signaling","Uptake and 
function of anthrax toxins","Ethanol oxidation","Semaphorin interactions","RHO GTPases activate CIT","Arachidonic acid metabolism","Parasite infection","Biosynthesis of DPA-derived SPMs","Cell recruit
ment (pro-inflammatory response)","VEGF ligand-receptor interactions","Sphingolipid de novo biosynthesis","cGMP effects","Class A/1 (Rhodopsin-like receptors)","SARS-CoV-1 Genome Replication and Trans
cription","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","SMAD2/3 Phosphorylation Motif Mutants in Cancer","The role of Nef in HIV-1 replication and disease pathog
enesis","Regulation of IFNA signaling","Truncations of AMER1 destabilize the destruction complex","Negative regulation of MAPK pathway","Gastrin-CREB signalling pathway via PKC and MAPK",Xenobiotics,"
Signalling to ERKs","Centrosome maturation","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of PTEN stability and activity","Cyclin D associ
ated events in G1","EPHA-mediated growth cone collapse","EPHB-mediated forward signaling","Sema4D in semaphorin signaling","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Leishmania phagocyt
osis","Biosynthesis of DPAn-3 SPMs","Purinergic signaling in leishmaniasis infection","Biosynthesis of D-series resolvins","Signalling to ERK5","VEGF binds to VEGFR leading to receptor dimerization","
SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion",Eicosanoids,"Nucleotide-like (purinergic) receptors","Amine ligand-binding receptors","Replication of the SARS-CoV-1 genome","CREB1 p
hosphorylation through NMDA receptor-mediated activation of RAS signaling","MAP kinase activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Neg
ative feedback regulation of MAPK pathway","EGFR Transactivation by Gastrin","CYP2E1 reactions","Signalling to RAS","Loss of proteins required for interphase microtubule organization from the centroso
me","Prolonged ERK activation events","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","
Long-term potentiation","Sema4D mediated inhibition of cell attachment and migration","FCGR3A-mediated phagocytosis","Biosynthesis of DPAn-3-derived 13-series resolvins","Biosynthesis of DPAn-3-derive
d protectins and resolvins","Adenosine P1 receptors","Muscarinic acetylcholine receptors","Sema4D induced cell migration and growth-cone collapse","RSK activation","MAPK targets/ Nuclear events mediat
ed by MAP kinases","Nef Mediated CD4 Down-regulation","p38MAPK events","activated TAK1 mediates p38 MAPK activation","Loss of Nlp from mitotic centrosomes","ARMS-mediated activation","Frs2-mediated ac
tivation","Activation of the AP-1 family of transcription factors","CREB phosphorylation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{AKT1,ALOX5,CHEK1,CYP2D6,CYP3A4,GAK,GSK3B,LCK,MAPK1,MAPK10,MAPK11,MAPK12,MAPK14,MAPK8,MAPK9,PRKCA,RAF1,RIPK2,ROCK1,RPS6KB1,SGK1,SRC,TNF}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{B20358,152121-47-6,152121476,"SB 203580",SB-203580,SB203580,4-(4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl)pyridine,4(4(4fluorophenyl)2(4methylsulfinylphenyl)1Himidazol5yl)pyridine
,4-(4-Fluorophenyl)-2-(4-methylsulfinylphenyl)-5-(4-pyridyl)-1H-imidazole,4(4Fluorophenyl)2(4methylsulfinylphenyl)5(4pyridyl)1Himidazole,"RWJ 64809",4-(4-Fluorophenyl)-2-(4-(methylsulfinyl)ph,4(4Fluor
ophenyl)2(4(methylsulfinyl)ph,"EMD 559389",S1076,EI-286,559389}

> <pdid>
PD004782

> <targets>
{"p38 MAPK","P38 MAPK"}

> <classes>
{}

> <pubchem_cids>
{176155}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -5.2111   -5.9837    0.0000 C   0  0
   -5.2189   -7.4837    0.0000 O   0  0
   -6.5065   -5.2274    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5627    0.0004    0.0000 C   0  0
   -3.8792    2.2803    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2810    2.2196    0.0000 C   0  0
   -0.0353    4.4996    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 13 16  1  0
 16 17  1  0
 16 18  2  0
  5 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24  4  1  0
 24 25  1  0
 24 26  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15800

> <plate>
PLATE 007

> <well>
C6

> <supplier_cmpd_name>
Bexarotene

> <ctcr_id>
6241

> <supplier_cmpd_id>
T6410

> <smiles>
Cc1cc2c(cc1C(=C)c3ccc(cc3)C(O)=O)C(C)(C)CCC2(C)C

> <pd_targets>
{RXRA,RXRB,RXRG,PPARG,RORC,RARA,BLM,KMT2A,MEN1,RARB,RECQL,RARG,CYP26A1,CYP26B1,NR1H2,NR4A2,NR1H3}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Epigenetic regulator","Nuclear receptor",Reader,"Cytochrome P450","Nuclear hormone receptor subfamily 2","Nuclear hormone receptor subfamily 1",Bromodomain,"Cytochrome 
P450 family 26","Nuclear hormone receptor subfamily 2 group B","Nuclear hormone receptor subfamily 1 group C","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group
 B","Cytochrome P450 family 26A","Nuclear hormone receptor subfamily 1 group H","Nuclear hormone receptor subfamily 2 group B member 1","Nuclear hormone receptor subfamily 2 group B member 2","Nuclear
 hormone receptor subfamily 2 group B member 3","Nuclear hormone receptor subfamily 1 group C member 3","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 1 gr
oup B member 1","Nuclear hormone receptor subfamily 1 group B member 2","Nuclear hormone receptor subfamily 1 group B member 3","Cytochrome P450 26A1","Nuclear hormone receptor subfamily 1 group H mem
ber 3"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Cytochrome P450","2B. Retinoid X receptors","1C. Peroxisome proliferator-activated receptors","1F. Retinoic acid-related orphans","1B. Retinoic acid rec
eptors",CYP24,"CYP26 and CYP27 families","1H. Liver X receptor-like receptors"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Metabolism of proteins","DNA Repair","Metabolism of lipids","RNA Polymerase II Transcription","Post-translational protein modification","DNA Double-Stran
d Break Repair","Biological oxidations","Metabolism of steroids","Generic Transcription Pathway",SUMOylation,"Homology Directed Repair","Phase I - Functionalization of compounds","Bile acid and bile s
alt metabolism","Nuclear Receptor transcription pathway","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","SUMO E3 ligases SUMOylate target proteins","HDR through Homologous
 Recombination (HRR) or Single Strand Annealing (SSA)","Cytochrome P450 - arranged by substrate type","Synthesis of bile acids and bile salts","MECP2 regulates transcription factors","RUNX3 Regulates 
Immune Response and Cell Migration","SUMOylation of intracellular receptors","HDR through Homologous Recombination (HRR)",Vitamins,"Synthesis of bile acids and bile salts via 27-hydroxycholesterol","H
omologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{RXRA,RXRB,RXRG}

> <broad_moa>
{"retinoid receptor agonist"}

> <synonyms>
{Bexarotene,153559-49-0,153559490,Targretin,Targrexin,LGD1069,"LGD 1069",LGD-1069,LG100069,UNII-A61RXM4375,UNIIA61RXM4375,Targretyn,"4-(1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl)benz
oic acid","4(1(3,5,5,8,8pentamethyl6,7dihydronaphthalen2yl)ethenyl)benzoic acid",166175-31-1,166175311,CHEMBL1023,"LG 100069",LG-100069,Targret,CHEBI:5,T6410,11571,bexarotene,BEXAROTENE}

> <pdid>
PD003617

> <targets>
{RXR AGONIST,Autophagy,RAR/RXR}

> <classes>
{Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{82146}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 21  0  0  1  0            999 V2000
    5.3192   -0.2597    0.0000 C   0  0
    4.1500    0.6800    0.0000 C   0  0  1  0  0  0
    2.5200    0.3600    0.0000 C   0  0
    2.3100   -1.1700    0.0000 C   0  0
    1.3300   -1.6300    0.0000 C   0  0
    0.1900   -1.1200    0.0000 C   0  0
    0.0000    0.3600    0.0000 C   0  0
   -1.5600    0.8100    0.0000 C   0  0  2  0  0  0
   -3.0100    0.3400    0.0000 C   0  0
   -3.9100    1.5700    0.0000 C   0  0  2  0  0  0
   -5.4100    1.5671    0.0000 O   0  0
   -3.0100    2.8100    0.0000 C   0  0
   -1.5600    2.3300    0.0000 C   0  0  1  0  0  0
    0.0000    2.8600    0.0000 C   0  0  1  0  0  0
    1.1178    1.8598    0.0000 O   0  0
    0.3300    4.3600    0.0000 C   0  0
    2.3100    4.3400    0.0000 C   0  0
    2.6310    5.8738    0.0000 C   0  0
    2.2348    4.4271    0.0000 O   0  0
    4.1100    2.4200    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 13 12  1  1
 13  8  1  0
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15801

> <plate>
PLATE 007

> <well>
C7

> <supplier_cmpd_name>
Brefeldin A

> <ctcr_id>
7964

> <supplier_cmpd_id>
T6062

> <smiles>
C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H](O)\C=C\C(=O)O1

> <pd_targets>
{NR0B1,THRB,PRNP,TGR,KMT2A,MEN1}

> <pathway_gtopdb>
{"Transcription factor","Surface antigen",Enzyme,"Epigenetic regulator","Nuclear receptor",Reader,"Nuclear hormone receptor subfamily 0","Nuclear hormone receptor subfamily 1",Bromodomain,"Nuclear hor
mone receptor subfamily 0 group B","Nuclear hormone receptor subfamily 1 group A","Nuclear hormone receptor subfamily 0 group B member 1","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","0B. DAX-like receptors","1A. Thyroid hormone receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins","Developmental Biology","RNA Polymerase II Transcription","Post-translational protein modification","Nervous system development","Generic Tr
anscription Pathway",SUMOylation,"Axon guidance","Nuclear Receptor transcription pathway","SUMO E3 ligases SUMOylate target proteins","NCAM signaling for neurite out-growth","SUMOylation of intracellu
lar receptors","NCAM1 interactions"}

> <broad_targets>
{ARF1,CYTH2}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{"brefeldin A",Cyanein,Decumbin,NSC56310,NSC89671,20350-15-6,20350156,SMR001565520,MLS002701937,MLS002702862,NSC107456,NSC244390,"B 174987","(+)-4-epi-Brefeldin A","(+)4epiBrefeldin A",SCHEMBL4345242,
CHEMBL1734306,60132-23-2,60132232,BFA,CP-0070,CP0070,J3.554.023G}

> <pdid>
PD003694

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5351204}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 35 40  0  0  0  0            999 V2000
    2.5741  -12.0007    0.0000 N   0  0
    2.5766  -10.5007    0.0000 C   0  0
    1.2787   -9.7486    0.0000 C   0  0
    1.2811   -8.2486    0.0000 C   0  0
    2.5814   -7.5006    0.0000 C   0  0
    3.8792   -8.2528    0.0000 C   0  0
    3.8768   -9.7528    0.0000 N   0  0
    2.5868   -5.9998    0.0000 C   0  0
    1.2903   -5.2455    0.0000 O   0  0
    3.8888   -5.2533    0.0000 N   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.0972   -0.1561    0.0000 N   0  0
   -5.7073   -1.5264    0.0000 C   0  0
   -4.8256   -2.7399    0.0000 C   0  0
   -3.3339   -2.5831    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 19 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 33 34  1  0
 34 26  1  0
 34 35  2  0
 35 17  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15802

> <plate>
PLATE 007

> <well>
C8

> <supplier_cmpd_name>
YM201636

> <ctcr_id>
1416

> <supplier_cmpd_id>
T6110

> <smiles>
Nc1ccc(cn1)C(=O)Nc2cccc(c2)c3nc(N4CCOCC4)c5oc6ncccc6c5n3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{371942-69-7,371942697,YM201636,YM-201636,"YM 201636",PubChem22459,cc-386,cc386,MLS006010997,SCHEMBL258416,CHEMBL2178735,CHEBI:91382,AOB1919,DTXSID90433303,EX-A037,EXA037,QCR-257,QCR257,BCPP000006,HMS
3229J15,HMS3295C07,HMS3654F03,AMY23718,BCP01972,ABP000099,MFCD16038303,s1219,ZI,T6110,SY-YM201636,"EMD 524611",524611}

> <pdid>
PD011051

> <targets>
{PIKfyve,"PIKfyve Inhibitor",Autophagy,"Influenza Virus",PI3K}

> <classes>
{Anti-infection,Autophagy,PI3K/Akt/mTOR}

> <pubchem_cids>
{9956222}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    6.5087    3.7592    0.0000 C   0  0
    7.8064    3.0070    0.0000 C   0  0
    7.8033    1.5061    0.0000 N   0  0
    6.5025    0.7576    0.0000 C   0  0
    5.2048    1.5099    0.0000 O   0  0
    6.4994   -0.7432    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    9.1073    3.7555    0.0000 C   0  0
    9.1125    5.2555    0.0000 C   0  0
   10.4142    6.0010    0.0000 C   0  0
   11.7106    5.2465    0.0000 C   0  0
   11.7054    3.7465    0.0000 C   0  0
   10.4038    3.0010    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 14  1  0
 24 19  1  0
  2 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15803

> <plate>
PLATE 007

> <well>
C9

> <supplier_cmpd_name>
Sirtinol

> <ctcr_id>
3734

> <supplier_cmpd_id>
T6671

> <smiles>
CC(NC(=O)c1ccccc1N=Cc2c(O)ccc3ccccc23)c4ccccc4

> <pd_targets>
{SIR2,SIRT2,SIRT1,HST2,SIRT5}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class III"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)","Organelle biogenesis and maintenance",Mitotic,"RNA Polymerase II Transcription","Mitochondrial biogenesis","M Phase","Generic Transcription Pathway","T
ranscriptional activation of mitochondrial biogenesis","Mitotic Metaphase and Anaphase","FOXO-mediated transcription","Mitotic Anaphase","Regulation of FOXO transcriptional activity by acetylation","N
uclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SIRT1,SIRT2}

> <broad_moa>
{"SIRT inhibitor"}

> <synonyms>
{Sirtinol,410536-97-9,410536979,CHEMBL380797,2-((2-Hydroxynaphthalen-1-ylmethylene)amino)-N-(1-phenethyl)benzamide,2((2Hydroxynaphthalen1ylmethylene)amino)N(1phenethyl)benzamide,2-(((2-hydroxy-1-napht
hyl)methylene)amino)-N-(1-phenylethyl)benzamide,2(((2hydroxy1naphthyl)methylene)amino)N(1phenylethyl)benzamide,(E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N-(1-phenylethyl)benzam,(E)2((2hydroxyna
phthalen1yl)methyleneamino)N(1phenylethyl)benzam,T6671,S2804}

> <pdid>
PD010564

> <targets>
{Sirtuin}

> <classes>
{Epigenetics}

> <pubchem_cids>
{2827646}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 C   0  0
    2.6016   -2.9971    0.0000 O   0  0
    1.3070   -5.2502    0.0000 N   0  0
    2.6078   -5.9988    0.0000 C   0  0
    2.6131   -7.4988    0.0000 C   0  0
    1.3167   -8.2533    0.0000 O   0  0
    3.9147   -8.2443    0.0000 C   0  0
    5.2112   -7.4898    0.0000 C   0  0
    5.2060   -5.9898    0.0000 C   0  0
    3.9044   -5.2443    0.0000 C   0  0
    6.5031   -5.2349    0.0000 C   0  0
    7.8052   -5.9796    0.0000 F   0  0
    6.4975   -3.7349    0.0000 F   0  0
    7.7992   -4.4798    0.0000 F   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    2.5988    1.5004    0.0000 C   0  0
    3.8983    0.7513    0.0000 F   0  0
    2.5983    3.0004    0.0000 F   0  0
    3.8975    2.2511    0.0000 F   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 11  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
  5 22  1  0
  2 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15804

> <plate>
PLATE 007

> <well>
C10

> <supplier_cmpd_name>
NS1643

> <ctcr_id>
11470

> <supplier_cmpd_id>
T3192

> <smiles>
c1c(ccc(c1NC(=O)Nc1c(O)ccc(c1)C(F)(F)F)O)C(F)(F)F

> <pd_targets>
{KCNMA1,RORC,KCNH2,KMT2A,MEN1,KCNH6,KCNH7}

> <pathway_gtopdb>
{"Ion channel","Transcription factor","Epigenetic regulator","Voltage-gated ion channel","Nuclear receptor",Reader,"Potassium channels","Nuclear hormone receptor subfamily 1",Bromodomain,"Calcium-acti
vated potassium channel","Nuclear hormone receptor subfamily 1 group F","Voltage-gated potassium channel","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{"Ion channels",Receptors,"Voltage-gated ion channels","Nuclear hormone receptors","Potassium channels","1F. Retinoic acid-related orphans","Calcium- and sodium-activated potassium channels","Voltage-
gated potassium channels"}

> <pathway_reactome>
{Hemostasis,"Gene expression (Transcription)","Muscle contraction","Neuronal System","Platelet homeostasis","RNA Polymerase II Transcription","Cardiac conduction","Potassium Channels","Nitric oxide st
imulates guanylate cyclase","Generic Transcription Pathway","Phase 3 - rapid repolarisation","Voltage gated Potassium channels","cGMP effects","Transcriptional regulation by RUNX3","RUNX3 Regulates Im
mune Response and Cell Migration"}

> <broad_targets>
{KCNH2,KCNH6,KCNMA1}

> <broad_moa>
{"voltage-gated potassium channel activator"}

> <synonyms>
{448895-37-2,448895372,NS1643,"1,3-Bis(2-hydroxy-5-(trifluoromethyl)phenyl)urea","1,3Bis(2hydroxy5(trifluoromethyl)phenyl)urea",NS-1643,"NS 1643",UNII-0I579CNG0I,UNII0I579CNG0I,"1,3-bis(2-hydroxy-5-(t
rifluoromethyl)phenyl)urea","1,3bis(2hydroxy5(trifluoromethyl)phenyl)urea",0I579CNG0I,"N,N'-Bis(2-hydroxy-5-(trifluoromethyl)phenyl)urea","N,N'Bis(2hydroxy5(trifluoromethyl)phenyl)urea",MFCD08705418,1
,3-Bis(2-hydrox,3Bis(2hydrox,T3192}

> <pdid>
PD038637

> <targets>
{hERG}

> <classes>
{Angiogenesis,"JAK/STAT signaling","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{10177784}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
   -1.1509   -2.6325    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    0.7960   -4.3861    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6017    2.9971    0.0000 O   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0080    6.0003    0.0000 C   0  0
   -0.0080    7.5003    0.0000 C   0  0
   -1.3071    8.2503    0.0000 C   0  0
   -2.6061    7.5003    0.0000 N   0  0
   -2.6061    6.0003    0.0000 C   0  0
   -3.9074    5.2525    0.0000 N   0  0
   -5.2060    6.0048    0.0000 C   0  0
   -6.5073    5.2571    0.0000 C   0  0
   -7.8064    6.0070    0.0000 C   0  0
   -9.1055    5.2571    0.0000 C   0  0
   -9.1055    3.7571    0.0000 N   0  0
   -7.8065    3.0070    0.0000 C   0  0
   -6.5075    3.7570    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
  8 26  2  0
 26 27  1  0
 27 28  2  0
 28  2  1  0
 28  6  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15805

> <plate>
PLATE 007

> <well>
C11

> <supplier_cmpd_name>
Motesanib

> <ctcr_id>
2084

> <supplier_cmpd_id>
T2288

> <smiles>
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc4ccncc4)ccc12

> <pd_targets>
{KDR,ABL1,FGR,FLT1,FLT4,FLT3,EGFR,SLK,BLK,BRAF,MAP3K19,MAP3K7,MAP3K20,AURKC,RET,FRK,KIT,PDGFRB,YES1,LYN,PDGFRA,STK10,EPHA6,CIT,LCK,FYN,EIF2AK4,ABL2,CSF1R,RIPK2,JAK1,MAP3K2,HCK,PTK6,RAF1,FGFR1,MAP4K4,T
NNI3K,FGFR4,STK35,MAP3K3,DDR1,EPHA7}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","STE protein kinase group","TKL protein kinase group","Other protein kinase group","AGC protein kinase group","Tyrosine protein kinase VEGFR f
amily","Tyrosine protein kinase Abl family","Tyrosine protein kinase Src family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase EGFR family","STE protein kinase STE20 family","TKL pro
tein kinase RAF family","STE protein kinase STE11 family","TKL protein kinase MLK family","Other protein kinase AUR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Eph family","A
GC protein kinase DMPK family","Other protein kinase PEK family","TKL protein kinase RIPK family","Tyrosine protein kinase JakA family","Tyrosine protein kinase FGFR family","Other protein kinase NKF4
 family","Tyrosine protein kinase DDR family","STE protein kinase SLK subfamily","TKL protein kinase TAK1 subfamily","TKL protein kinase MLK subfamily","AGC protein kinase CRIK subfamily","Tyrosine pr
otein kinase SrcA","Other protein kinase GCN2 subfamily","STE protein kinase MEKK2","STE protein kinase MSN subfamily","TKL protein kinase HH498 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","TK: Ty
rosine kinase","STE20 family","TKL: Tyrosine kinase-like","Other protein kinases","DMPK family","STE11 family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","SLK subfamily
","RAF family","STE20 subfamily","Mixed Lineage Kinase (MLK) family","Aurora kinase (Aur) family","Other DMPK family kinases","PEK family","Receptor interacting protein kinase (RIPK) family","MSN subf
amily","NKF4 family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Abl family","Src family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I RTKs: ErbB (epid
ermal growth factor) receptor family","TAK1 subfamily","MLK subfamily","Type XIV RTKs: RET","Type XIII RTKs: Ephrin receptor family","GCN2 subfamily","Janus kinase (JakA) family","Type V RTKs: FGF (fi
broblast growth factor) receptor family","HH498 subfamily","Type XVI RTKs: DDR (collagen receptor) family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Gene expression (Transcription)","Immune System","Developmental Biology","Cellular responses to external stimuli","Cell Cycle","Extracellular matrix organization","Sign
aling by Receptor Tyrosine Kinases","Infectious disease","Signaling by GPCR","RNA Polymerase II Transcription","Innate Immune System","Nervous system development","Intracellular signaling by second me
ssengers","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Rho GTPases","Cellular responses to stress","Cytokine Signaling in Immune system",Mitotic,"MA
PK family signaling cascades","Non-integrin membrane-ECM interactions","Signaling by VEGF","Leishmania infection","Signaling by Insulin receptor","GPCR downstream signalling","Generic Transcription Pa
thway","Signaling by NTRKs","Toll-like Receptor Cascades","Axon guidance","PIP3 activates AKT signaling","Signaling by KIT in disease","Signaling by PDGFR in disease","Neutrophil degranulation","RHO G
TPase Effectors","HIV Infection","Response of EIF2AK4 (GCN2) to amino acid deficiency","Interferon Signaling","Mitotic G1 phase and G1/S transition","MAPK1/MAPK3 signaling","Signaling by FGFR in disea
se","Cellular Senescence","Signaling by FGFR","Signaling by Interleukins","VEGFA-VEGFR2 Pathway","Parasite infection","Leishmania parasite growth and survival","VEGF ligand-receptor interactions","Ins
ulin receptor signalling cascade","G alpha (q) signalling events","Transcriptional regulation by RUNX1","Signaling by NTRK1 (TRKA)","Toll Like Receptor 4 (TLR4) Cascade","RET signaling","PTEN Regulati
on","Drug resistance of KIT mutants","Negative regulation of the PI3K/AKT network","Drug resistance of PDGFR mutants","EPH-Ephrin signaling","RHO GTPases activate CIT","Host Interactions of HIV factor
s","Signaling by ROBO receptors","Transcriptional Regulation by VENTX","Toll Like Receptor 5 (TLR5) Cascade","Antiviral mechanism by IFN-stimulated genes","G1 Phase","RAF/MAP kinase cascade","Signalin
g by FGFR1 in disease","Oxidative Stress Induced Senescence","Signaling by FGFR4","Interleukin-1 family signaling","VEGFR2 mediated cell proliferation","Leishmania phagocytosis","Anti-inflammatory res
ponse favouring Leishmania parasite infection","VEGF binds to VEGFR leading to receptor dimerization","IRS-mediated signalling","Gastrin-CREB signalling pathway via PKC and MAPK","RUNX1 regulates tran
scription of genes involved in BCR signaling","Signalling to ERKs","MyD88-independent TLR4 cascade","Regulation of PTEN stability and activity","Dasatinib-resistant KIT mutants",PI5P,"PP2A and IER3 Re
gulate PI3K/AKT Signaling","Imatinib-resistant PDGFR mutants","EPHA-mediated growth cone collapse","The role of Nef in HIV-1 replication and disease pathogenesis","Role of ABL in ROBO-SLIT signaling",
"MyD88 cascade initiated on plasma membrane","ISG15 antiviral mechanism","Cyclin D associated events in G1","Negative regulation of MAPK pathway","FGFR1 mutant receptor activation","Downstream signali
ng of activated FGFR4","Interleukin-1 signaling","FCGR3A-mediated phagocytosis","FCGR3A-mediated IL10 synthesis","PI3K Cascade","EGFR Transactivation by Gastrin","Prolonged ERK activation events","TRI
F(TICAM1)-mediated TLR4 signaling","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Nef and signal transduction","MAP kinase activation","Negative feed
back regulation of MAPK pathway","Signaling by activated point mutants of FGFR1","FRS-mediated FGFR4 signaling","ARMS-mediated activation","TRAF6-mediated induction of TAK1 complex within TLR4 complex
","Nef Mediated CD4 Down-regulation","activated TAK1 mediates p38 MAPK activation"}

> <broad_targets>
{FLT1,FLT4,KDR,KIT}

> <broad_moa>
{"KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor","VEGFR inhibitor"}

> <synonyms>
{"OTESANIB (AMG706",Motesanib,453562-69-1,453562691,"AMG 706","N-(3,3-dimethylindolin-6-yl)-2-(pyridin-4-ylmethylamino)nicotinamide","N(3,3dimethylindolin6yl)2(pyridin4ylmethylamino)nicotinamide",AMG7
06,UNII-U1JK633AYI,UNIIU1JK633AYI,U1JK633AYI,CHEBI:51098,"453562-69-1 (free base)","453562691 (free base)",C22H23N5O,"Motesanib (USAN:INN)","Motesanib (AMG-706)","Motesanib (AMG706)",Mo,T2288,SY-Motes
anib,"Motesanib   (AMG-706)",MOTESANIB}

> <pdid>
PD012969

> <targets>
{c-Kit,PDGFR,VEGFR,KIT,VEGFR1/2/3}

> <classes>
{}

> <pubchem_cids>
{11667893}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 11 12  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  2  1  0
 11  7  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15806

> <plate>
PLATE 007

> <well>
D2

> <supplier_cmpd_name>
3-Methyladenine

> <ctcr_id>
1181

> <supplier_cmpd_id>
T1879

> <smiles>
Cn1cnc(N)c2ncnc12

> <pd_targets>
{ADORA2A,ADORA1,ADORA2B}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Nucleotide-like receptor (family A GPCR)","Adenosine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Adenosine receptors"}

> <pathway_reactome>
{Disease,"Signal Transduction","Infectious disease","Signaling by GPCR","Leishmania infection","GPCR ligand binding","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","A
nti-inflammatory response favouring Leishmania parasite infection","Nucleotide-like (purinergic) receptors","ADORA2B mediated anti-inflammatory cytokines production","Adenosine P1 receptors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{3Methyladenine,3-MA,3MA,S2767,T1879,SY-3MA,3-Methyladenine}

> <pdid>
PD006476

> <targets>
{PI3K,autophagy,Autophagy,"Endogenous Metabolite",Mitophagy}

> <classes>
{PI3K/Akt/mTOR,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{1673}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -11.6963   -0.7681    0.0000 O   0  0
  -13.0003    1.4796    0.0000 N   0  0
  -14.2989    0.7273    0.0000 C   0  0
  -14.2938   -0.7728    0.0000 C   0  0
  -15.5902   -1.5272    0.0000 C   0  0
  -16.8919   -0.7817    0.0000 C   0  0
  -16.8971    0.7183    0.0000 C   0  0
  -15.6006    1.4727    0.0000 C   0  0
  -15.6059    2.9727    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15807

> <plate>
PLATE 007

> <well>
D3

> <supplier_cmpd_name>
PAOA

> <ctcr_id>
11471

> <supplier_cmpd_id>
T3206

> <smiles>
c1ccc(cc1)NC(=O)CCCCCC(=O)Nc1ccccc1N

> <pd_targets>
{HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9,NCOR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Disease,Mitotic,"RNA Polymerase II Transcription","Disorders of Developmental Biology","M Phase","Generic Transcription Pathway","Disorders of Nervous S
ystem Development","Mitotic Metaphase and Anaphase","Transcriptional Regulation by TP53","Pervasive developmental disorders","Mitotic Anaphase","Regulation of TP53 Activity","Loss of function of MECP2
 in Rett syndrome","Separation of Sister Chromatids","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability to the NCoR/SMRT complex","Loss of MECP2 binding ability to 5mC-DN
A"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{537034-15-4,537034154,"NKL 22",N-(2-AMINOPHENYL)-N'-PHENYLHEPTANEDIAMIDE,N(2AMINOPHENYL)N'PHENYLHEPTANEDIAMIDE,N1-(2-Aminophenyl)-N7-phenylheptanediamide,N1(2Aminophenyl)N7phenylheptanediamide,"Histo
ne Deacetylase Inhibitor IV","HDAC inhibitor IV",CHEMBL277805,NKL-22,NKL22,"VC-4154 (HDAC inhibitor IV)","VC4154 (HDAC inhibitor IV)",N'-(2-AMINOPHENYL)-N-PHENYLHEPTANEDIAMI,N'(2AMINOPHENYL)NPHENYLHEP
TANEDIAMI,T3204,T3206,BML-210,PAOA}

> <pdid>
PD012262

> <targets>
{HDAC}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{9543539}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -13.0003    1.4796    0.0000 C   0  0
  -13.0029    2.9796    0.0000 O   0  0
  -14.2989    0.7273    0.0000 N   0  0
  -15.6002    1.4750    0.0000 C   0  0
  -15.6003    2.9751    0.0000 C   0  0
  -16.8994    3.7251    0.0000 C   0  0
  -18.1984    2.9750    0.0000 C   0  0
  -18.1984    1.4750    0.0000 C   0  0
  -16.8993    0.7251    0.0000 C   0  0
  -16.8993   -0.7749    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15808

> <plate>
PLATE 007

> <well>
D4

> <supplier_cmpd_name>
BML-210

> <ctcr_id>
11472

> <supplier_cmpd_id>
T3204

> <smiles>
c1ccc(cc1)NC(=O)CCCCCCC(=O)Nc1ccccc1N

> <pd_targets>
{HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9,NCOR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Disease,Mitotic,"RNA Polymerase II Transcription","Disorders of Developmental Biology","M Phase","Generic Transcription Pathway","Disorders of Nervous S
ystem Development","Mitotic Metaphase and Anaphase","Transcriptional Regulation by TP53","Pervasive developmental disorders","Mitotic Anaphase","Regulation of TP53 Activity","Loss of function of MECP2
 in Rett syndrome","Separation of Sister Chromatids","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability to the NCoR/SMRT complex","Loss of MECP2 binding ability to 5mC-DN
A"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ML-21,ML21,BML-210,BML210,537034-17-6,537034176,N1-(2-aminophenyl)-N8-phenyloctanediamide,N1(2aminophenyl)N8phenyloctanediamide,"BML 210",N-(2-aminophenyl)-N'-phenyl-octanediamide,N(2aminophenyl)N'ph
enyloctanediamide,CAY10433,BML-210(CAY10433),BML210(CAY10433),CHEBI:61077,"Octanediamide, N-(2-aminophenyl)-N'-phenyl-","Octanediamide, N(2aminophenyl)N'phenyl",CHEMBL324053,N-(2-aminophenyl)-N'-pheny
octanedia,N(2aminophenyl)N'phenyoctanedia}

> <pdid>
PD012262

> <targets>
{HDAC}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{9543540}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 15 15  0  0  0  0            999 V2000
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Br  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15809

> <plate>
PLATE 007

> <well>
D5

> <supplier_cmpd_name>
UF010

> <ctcr_id>
11473

> <supplier_cmpd_id>
T3205

> <smiles>
CCCCNNC(=O)c1ccc(cc1)Br

> <pd_targets>
{HDAC2,HDAC3,HDAC6,HDAC1,HDAC8,HDAC11,HDAC10}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIb","HDAC class IV"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Cell Cycle","RNA Polymerase II Transcription","Disorders of Developmental Biology",Mitotic,"Diseases of signal transduction by growth factor receptors and s
econd messengers","Generic Transcription Pathway","Disorders of Nervous System Development","M Phase","Signaling by NOTCH1 in Cancer","Transcriptional Regulation by TP53","Pervasive developmental diso
rders","Transcriptional regulation by RUNX2","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Regulation of TP53 Activity","Loss of function of MECP2 in Rett sy
ndrome","RUNX2 regulates bone development","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability
 to the NCoR/SMRT complex","RUNX2 regulates osteoblast differentiation","Loss of MECP2 binding ability to 5mC-DNA","Separation of Sister Chromatids"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC8}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{UF010,537672-41-6,537672416,4-bromo-N'-butylbenzohydrazide,4bromoN'butylbenzohydrazide,"UF 010",UF-010,SR-01000010887,SR01000010887,CHEMBL4303643,SCHEMBL17141661,AOB5396,EX-A917,EXA917,BDBM163619,BCP
16853,ZINC2711885,MFCD03603083,NSC773315,s5810,AKOS002177817,CS-5227,CS5227,MCULE-2200281997,MCULE2200281997,NSC-773315,AK499434,AS-,AS,T3205}

> <pdid>
PD012273

> <targets>
{HDAC}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{4596836}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    1.5076   -8.2513    0.0000 N   0  0
    2.3532   -7.0124    0.0000 C   0  0
    3.8490   -7.1253    0.0000 C   0  0
    4.6946   -5.8864    0.0000 C   0  0
    4.0445   -4.5346    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.7031   -5.6606    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -5.2007   -1.4909    0.0000 C   0  0
   -6.4972   -0.7365    0.0000 C   0  0
   -6.4920    0.7635    0.0000 C   0  0
   -5.1903    1.5090    0.0000 C   0  0
   -5.1852    3.0090    0.0000 O   0  0
   -3.8939    0.7546    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 16  1  0
 14 23  2  0
 23 10  1  0
 23 24  1  0
 24  8  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15810

> <plate>
PLATE 007

> <well>
D6

> <supplier_cmpd_name>
TWS119

> <ctcr_id>
2176

> <supplier_cmpd_id>
T2166

> <smiles>
Nc1cccc(c1)c2[nH]c3ncnc(Oc4cccc(O)c4)c3c2

> <pd_targets>
{GSK3B,EIF2AK2,JUN,MYC}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Kinase,"Protein Kinase","CMGC protein kinase group","Other protein kinase group","CMGC protein kinase GSK family","Other protein kinase PEK family","Other protein kinase
 PKR"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","Glycogen synthase kinase (GSK) family","Other protein kinases","GSK 
subfamily","PEK family","Other PEK family kinases"}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","Influenza Infection","SARS-CoV-1 Infection","NS1 Mediated Effects on Host Pathways","SARS-CoV-1 Genome Replication and Transcription","Inhibition o
f PKR","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
{GSK3B,JUN,MYC}

> <broad_moa>
{"glycogen synthase kinase inhibitor"}

> <synonyms>
{TWS119,601514-19-6,601514196,TWS-119,"3-((6-(3-Aminophenyl)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)oxy)phenol","3((6(3Aminophenyl)7Hpyrrolo(2,3d)pyrimidin4yl)oxy)phenol","TWS 119","GSK inhibitor XII","3-((6
-(3-AMINOPHENYL)-7H-PYRROLO(2,3-D)PYRIMIDIN-4-YL)OXY)PHENOL","3((6(3AMINOPHENYL)7HPYRROLO(2,3D)PYRIMIDIN4YL)OXY)PHENOL",3-(6-(3-aminophenyl)-7H-pyrrolo(2,3(6(3aminophenyl)7Hpyrrolo(2,3-d)pyrimidin-4-y
loxy),3d)pyrimidin4yloxy),T2166,"EMD 361554",361554}

> <pdid>
PD010966

> <targets>
{Autophagy,GSK-3}

> <classes>
{Autophagy,PI3K/Akt/mTOR,Stem Cell/Wnt}

> <pubchem_cids>
{9549289}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 40 44  0  0  0  0            999 V2000
    5.9389    7.0292    0.0000 C   0  0
    5.0407    5.8279    0.0000 O   0  0
    3.5503    6.0043    0.0000 C   0  0
    2.6503    4.8042    0.0000 C   0  0
    1.1611    4.9836    0.0000 C   0  0
    0.5718    6.3630    0.0000 C   0  0
    1.4717    7.5630    0.0000 C   0  0
    0.8849    8.9444    0.0000 O   0  0
    1.7871   10.1438    0.0000 C   0  0
    1.2006   11.5244    0.0000 C   0  0
    3.2760    9.9619    0.0000 C   0  0
    2.9609    7.3837    0.0000 C   0  0
   -0.9182    6.5424    0.0000 C   0  0
   -1.6247    7.8511    0.0000 N   0  0
   -3.0970    7.5638    0.0000 C   0  0
   -3.2787    6.0749    0.0000 C   0  0
   -1.9187    5.4420    0.0000 N   0  0
   -1.6175    3.9744    0.0000 C   0  0
   -2.7394    2.9788    0.0000 O   0  0
   -0.1936    3.4998    0.0000 N   0  0
    0.9307    4.4928    0.0000 C   0  0
    2.3528    4.0156    0.0000 C   0  0
    2.6506    2.5455    0.0000 N   0  0
    1.5263    1.5525    0.0000 C   0  0
    1.8242    0.0823    0.0000 O   0  0
    0.1043    2.0296    0.0000 C   0  0
   -4.5907    5.3463    0.0000 C   0  0
   -5.9266    6.0175    0.0000 C   0  0
   -7.1795    5.1927    0.0000 C   0  0
   -7.0916    3.6953    0.0000 C   0  0
   -8.3445    2.8705    0.0000 Cl  0  0
   -5.7509    3.0227    0.0000 C   0  0
   -4.4980    3.8475    0.0000 C   0  0
   -4.1953    8.5865    0.0000 C   0  0
   -3.9698   10.0645    0.0000 C   0  0
   -5.1414   11.0011    0.0000 C   0  0
   -6.5383   10.4549    0.0000 C   0  0
   -7.7099   11.3915    0.0000 Cl  0  0
   -6.7637    8.9719    0.0000 C   0  0
   -5.5922    8.0352    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  7 12  2  0
 12  3  1  0
  6 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 13  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 20  1  0
 16 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 33 27  1  0
 15 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 37 39  1  0
 39 40  2  0
 40 34  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15811

> <plate>
PLATE 007

> <well>
D7

> <supplier_cmpd_name>
Nutlin-3a

> <ctcr_id>
4618

> <supplier_cmpd_id>
T6023

> <smiles>
COc1ccc(c(OC(C)C)c1)C2=NC(C(N2C(=O)N3CCNC(=O)C3)c4ccc(Cl)cc4)c5ccc(Cl)cc5

> <pd_targets>
{MDM2,TP53,RORC,BCL2,MDM4}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Transcription factor","Ion channel","Unclassified protein",Ligase,"Nuclear receptor","Other ion channel","Nuclear hormone receptor subfamily 1","Miscellaneous ion chan
nel","Nuclear hormone receptor subfamily 1 group F","Bcl-2 family","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","E3 ubiquitin ligase components","Nuclear hormone receptors","B-cell lymphoma 2 (Bcl-2) protein family","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","Cell Cycle","RNA Polymerase II Transcription","Innate Immune System","Cell Cycle Checkpoints","Generic Transcription Pathway","Nucleotide-binding do
main","leucine rich repeat containing receptor (NLR) signaling pathways","G1/S DNA Damage Checkpoints","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX3",Inflammasomes,"p53-Dep
endent G1/S DNA damage checkpoint","Regulation of TP53 Activity","RUNX3 Regulates Immune Response and Cell Migration","The NLRP1 inflammasome","p53-Dependent G1 DNA Damage Response","Regulation of TP5
3 Expression and Degradation","Stabilization of p53","Regulation of TP53 Degradation","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{MDM2,TP53}

> <broad_moa>
{"MDM inhibitor"}

> <synonyms>
{NSC-732664,NSC732664,NCGC00165848-01,NCGC0016584801,NCGC00165848-02,NCGC0016584802,Nutlin-3,Nutlin3,548472-68-0,548472680,890090-75-2,890090752,"nutlin 3",(Rac)-Nutlin-3,(Rac)Nutlin3,(+/-)-Nutlin3,(+
/)Nutlin3,CHEMBL211045,"Nutlin 3(Random Configuration)",MFCD07784509,Nutlin,C30H30Cl2N4O4,Rac-Nutlin-3,RacNutlin3,"Nutln 3A","MDM2 Antagonist",R,T6614,T6023,T2158,S1061,Nutlin-3b,Nutlin-3a,nutlin-3}

> <pdid>
PD003703

> <targets>
{Mdm2,"E3 Ligase"}

> <classes>
{Apoptosis}

> <pubchem_cids>
{216345}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
   19.1799   -8.3901    0.0000 C   0  0
   18.3019   -7.1739    0.0000 C   0  0
   18.9166   -5.8056    0.0000 C   0  0
   16.8087   -7.3253    0.0000 C   0  0
   16.1941   -8.6936    0.0000 O   0  0
   15.9303   -6.1084    0.0000 S   0  0
   14.4371   -6.2598    0.0000 C   0  0
   13.5586   -5.0430    0.0000 C   0  0
   12.0654   -5.1944    0.0000 C   0  0
   11.1870   -3.9775    0.0000 C   0  0
    9.6938   -4.1290    0.0000 C   0  0
    8.8153   -2.9121    0.0000 C   0  0
    7.3221   -3.0635    0.0000 C   0  0
    6.7075   -4.4318    0.0000 O   0  0
    6.4437   -1.8466    0.0000 N   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 16  1  0
 18 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15812

> <plate>
PLATE 007

> <well>
D8

> <supplier_cmpd_name>
PTACH

> <ctcr_id>
11474

> <supplier_cmpd_id>
T3199

> <smiles>
CC(C)C(=O)SCCCCCCC(=O)Nc1nc(cs1)c1ccccc1

> <pd_targets>
{STX1,RORC}

> <pathway_gtopdb>
{"Unclassified protein","Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F me
mber 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{PTACH,848354-66-5,848354665,"NCH 51",NCH-51,NCH51,"Cpd 51","S-(7-Oxo-7-((4-phenylthiazol-2-yl)amino)heptyl) 2-methylpropanethioate","S(7Oxo7((4phenylthiazol2yl)amino)heptyl) 2methylpropanethioate","S
-(7-Oxo-7-((4-phenylthiazol-2-yl)amino)-heptyl) 2-methylpropanethioate",MFCD08705329,"S-(6-(4-Phenyl-2-thiazolylcarbamoyl)hexyl) th","S(6(4Phenyl2thiazolylcarbamoyl)hexyl) th",T3199}

> <pdid>
PD040455

> <targets>
{HDAC}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{11395181}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 12 11  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 N   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7999    0.0000    0.0000 C   0  0
    7.7999   -1.5000    0.0000 O   0  0
    9.0999    0.7500    0.0000 O   0  0
   10.3992    0.0004    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15813

> <plate>
PLATE 007

> <well>
D9

> <supplier_cmpd_name>
DMOG

> <ctcr_id>
11475

> <supplier_cmpd_id>
T1939

> <smiles>
COC(=O)CNC(=O)C(=O)OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{DMOG,89464-63-1,89464631,dimethyloxalylglycine,DIMETHYLOXALOYLGLYCINE,"Dimethyloxallyl glycine","methyl 2-((2-methoxy-2-oxoethyl)amino)-2-oxoacetate","methyl 2((2methoxy2oxoethyl)amino)2oxoacetate","
dimethyloxaloylglycine (dmog)","N-(2-Methoxy-2-oxoacetyl)glycine methyl ester","N(2Methoxy2oxoacetyl)glycine methyl ester",N-(methoxyoxoacetyl)-glycine,N(methoxyoxoacetyl)glycine,T1939}

> <pdid>
PD012514

> <targets>
{HIF-PH,Autophagy,HIF/HIF Prolyl-Hydroxylase}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{560326}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 34 37  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -5.2060    2.9909    0.0000 Cl  0  0
   -7.7884   -1.5181    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2122   -3.8625    0.0000 C   0  0
   -0.7464   -5.2884    0.0000 C   0  0
   -1.6226   -6.5037    0.0000 C   0  0
   -3.1149   -6.3519    0.0000 O   0  0
   -1.0080   -7.8729    0.0000 N   0  0
   -1.8857   -9.0903    0.0000 C   0  0  2  0  0  0
   -3.3785   -8.9354    0.0000 C   0  0
   -3.9912   -7.5662    0.0000 O   0  0
   -1.2711  -10.4596    0.0000 C   0  0
   -2.1465  -11.6776    0.0000 C   0  0
   -1.5295  -13.0448    0.0000 C   0  0
   -0.0369  -13.1940    0.0000 C   0  0
    0.8386  -11.9761    0.0000 C   0  0
    0.2215  -10.6089    0.0000 C   0  0
    2.3311  -12.1253    0.0000 Cl  0  0
    0.7536   -5.2860    0.0000 N   0  0
    1.2149   -3.8587    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 10 14  1  0
  5 15  1  0
 15 16  2  0
 16  2  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 23 22  1  1
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 30 32  1  0
 19 33  1  0
 33 34  1  0
 34 17  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15814

> <plate>
PLATE 007

> <well>
D10

> <supplier_cmpd_name>
VX-11e

> <ctcr_id>
11476

> <supplier_cmpd_id>
T3166

> <smiles>
Cc1cnc(Nc2ccc(cc2Cl)F)nc1c1cc(C(=O)N[C@H](CO)c2cccc(c2)Cl)[nH]c1

> <pd_targets>
{CDK2,AURKA,MAPK1,FLT3,MAP3K7,MAPK10,ROCK1,MAPK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","Other protein kinase group","TK protein kinase group","TKL protein kinase group","AGC protein kinase group","CMGC protein kinase CDK family
","Other protein kinase AUR family","CMGC protein kinase MAPK family","Tyrosine protein kinase PDGFR family","TKL protein kinase MLK family","AGC protein kinase DMPK family","CMGC protein kinase CDC2 
subfamily","CMGC protein kinase ERK1","TKL protein kinase TAK1 subfamily","CMGC protein kinase JNK subfamily","AGC protein kinase ROCK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","Cyclin-dependent kinase (CD
K) family","Other protein kinases","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","DMPK family","CDK1 subfamily","Aurora kinase (Aur) family","ERK 
subfamily","Receptor tyrosine kinases (RTKs)","Mixed Lineage Kinase (MLK) family","JNK subfamily","Rho kinase","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","TAK1 subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","Signal Transduction","Developmental Biology","RNA Polymerase II Transcription","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Nerv
ous system development","Generic Transcription Pathway","Toll-like Receptor Cascades","Signaling by Insulin receptor","Axon guidance","Transcriptional Regulation by TP53","Toll Like Receptor 5 (TLR5) 
Cascade","Insulin receptor signalling cascade","Toll Like Receptor 4 (TLR4) Cascade","Semaphorin interactions","Regulation of TP53 Activity","MyD88 cascade initiated on plasma membrane","IRS-mediated 
signalling","MyD88-independent TLR4 cascade","Sema4D in semaphorin signaling","Regulation of TP53 Expression and Degradation","Regulation of TP53 Activity through Phosphorylation","MAP kinase activati
on","PI3K Cascade","TRIF(TICAM1)-mediated TLR4 signaling","Sema4D induced cell migration and growth-cone collapse","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinase
s","TRAF6-mediated induction of TAK1 complex within TLR4 complex","ERK/MAPK targets","Activation of the AP-1 family of transcription factors","ERKs are inactivated"}

> <broad_targets>
{MAPK1}

> <broad_moa>
{"MAP kinase inhibitor"}

> <synonyms>
{X11,VX-11e,VX11e,896720-20-0,896720200,VTX-11e,VTX11e,"VX 11e",NCGC00242487,Vertex-11e,Vertex11e,"TCS ERK 11e","pyrimidylpyrrole, 11e",C24H20Cl2FN5O2,CHEMBL583042,GTPL9375,SCHEMBL15859235,"VX-11e(TCS
 ERK 11e)","VX11e(TCS ERK 11e)",BDBM35657,CHEBI:95049,AOB6429,DTXSID00469774,EX-A1570,EXA1570,4157AH,s7709,ZINC3588,T3166}

> <pdid>
PD012648

> <targets>
{ERK,"Aurora A",CDK2,ERK2,FLT3,GSK-3}

> <classes>
{"Cell Cycle/Checkpoint","PI3K/Akt/mTOR signaling",Angiogenesis,MAPK,Chromatin/Epigenetic,"Stem Cells","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{11634725}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 37 39  0  0  0  0            999 V2000
   -2.6275   -7.4852    0.0000 C   0  0
   -2.6192   -5.9852    0.0000 O   0  0
   -1.3157   -5.2412    0.0000 C   0  0
   -1.3074   -3.7403    0.0000 C   0  0
   -2.6048   -2.9858    0.0000 N   0  0
   -3.9074   -3.7313    0.0000 C   0  0
   -3.9126   -5.2313    0.0000 O   0  0
   -5.2048   -2.9768    0.0000 C   0  0
   -5.2026   -1.4759    0.0000 C   0  0
   -6.5008   -0.7229    0.0000 O   0  0
   -6.4987    0.7771    0.0000 C   0  0
   -6.5074   -3.7223    0.0000 N   0  0
   -7.8047   -2.9677    0.0000 C   0  0
   -7.7995   -1.4677    0.0000 O   0  0
   -9.1073   -3.7132    0.0000 C   0  0
  -10.4576   -3.0898    0.0000 S   0  0
  -11.4633   -4.2028    0.0000 C   0  0
  -12.9548   -4.0434    0.0000 C   0  0
  -10.7155   -5.5031    0.0000 N   0  0
   -9.2478   -5.1938    0.0000 C   0  0
   -0.0048   -2.9949    0.0000 C   0  0
    0.0004   -1.4949    0.0000 O   0  0
    1.2925   -3.7494    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8902   -3.7623    0.0000 C   0  0
    3.8819   -5.2632    0.0000 C   0  0
    5.1752   -6.0230    0.0000 C   0  0
    5.1638   -7.5230    0.0000 C   0  0
    3.8591   -8.2631    0.0000 C   0  0
    2.5658   -7.5032    0.0000 C   0  0
    2.5772   -6.0033    0.0000 C   0  0
    2.6018   -1.5031    0.0000 C   0  0
    1.3058   -0.7478    0.0000 O   0  0
    3.9044   -0.7576    0.0000 C   0  0
    3.9105    0.7424    0.0000 C   0  0
    4.5341   -1.9926    0.0000 C   0  0
    5.2893   -0.6965    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  8 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 15  2  0
  4 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 24 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37 34  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15815

> <plate>
PLATE 007

> <well>
D11

> <supplier_cmpd_name>
Oprozomib

> <ctcr_id>
2770

> <supplier_cmpd_id>
T6041

> <smiles>
COCC(NC(=O)C(COC)NC(=O)c1sc(C)nc1)C(=O)NC(Cc2ccccc2)C(=O)C3(C)CO3

> <pd_targets>
{PSMB5,PSMB8,ADRM1,PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB1,PSMB10,PSMB11,PSMB2,PSMB3,PSMB4,PSMB6,PSMB7,PSMB9,PSMC1,PSMC2,PSMC3,PSMC4,PSMC5,PSMC6,PSMD1,PSMD11,PSMD12,PSMD13,PSMD14,PSMD2,P
SMD3,PSMD4,PSMD6,PSMD7,PSMD8,SEM1}

> <pathway_gtopdb>
{Enzyme,Protease,"Threonine protease","Metallo protease","Threonine protease PBT clan","Metallo protease MP clan","Threonine protease T1A subfamily","Metallo protease M67 family","Metallo protease M67
A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","PB: Threonine (T) Peptidases","T1: Proteasome"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Regulation of mitotic cell cycle","APC/C-mediated degradation of cell cycle proteins","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","APC/C:Cdc20
 mediated degradation of mitotic proteins","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin
 A"}

> <broad_targets>
{}

> <broad_moa>
{"proteasome inhibitor"}

> <synonyms>
{SCHEMBL15412823,HMS3652N18,DA-40376,DA40376,FT-0700414,FT0700414,T6041,S7049,Oprozomib,"Oprozomib (ONX 0912)"}

> <pdid>
PD010640

> <targets>
{Proteasome}

> <classes>
{Proteases}

> <pubchem_cids>
{16718034}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -11.6963   -0.7681    0.0000 O   0  0
  -13.0003    1.4796    0.0000 N   0  0
  -14.2989    0.7273    0.0000 C   0  0
  -14.2938   -0.7728    0.0000 C   0  0
  -15.5902   -1.5272    0.0000 C   0  0
  -16.8919   -0.7817    0.0000 C   0  0
  -16.8971    0.7183    0.0000 C   0  0
  -15.6006    1.4727    0.0000 C   0  0
  -15.6059    2.9727    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15816

> <plate>
PLATE 007

> <well>
E2

> <supplier_cmpd_name>
Pimelic diphenylamide 106

> <ctcr_id>
11477

> <supplier_cmpd_id>
T3193

> <smiles>
Cc1ccc(cc1)NC(=O)CCCCCC(=O)Nc1ccccc1N

> <pd_targets>
{HDAC1,HDAC2,HDAC10,HDAC3}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIb"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Disorders of Developmental Biology","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Di
sorders of Nervous System Development","Generic Transcription Pathway","Signaling by NOTCH1 in Cancer","Pervasive developmental disorders","Transcriptional Regulation by TP53","Signaling by NOTCH1 HD+
PEST Domain Mutants in Cancer","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Loss of MECP2 binding ability to 5m
C-DNA","Regulation of TP53 Activity through Acetylation","Loss of MECP2 binding ability to the NCoR/SMRT complex"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC8}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{"Pimelic Diphenylamide 106","TC-H 106","TCH 106",937039-45-7,937039457,N'-(2-aminophenyl)-N-(4-methylphenyl)heptanediamide,N'(2aminophenyl)N(4methylphenyl)heptanediamide,N1-(2-aminophenyl)-N7-(4-meth
ylphenyl)-heptanediamide,N1(2aminophenyl)N7(4methylphenyl)heptanediamide,"RGFA-8;TC-H 106;Histone Deacetylase Inhibitor VII","RGFA8;TCH 106;Histone Deacetylase Inhibitor VII",RGFA-8,RGFA8,SCHEMBL1065,
T3193,"Pimelic diphenylamide 106"}

> <pdid>
PD012256

> <targets>
{HDAC}

> <classes>
{Chromatin/Epigenetic,DNA Damage/DNA Repair,NF-¦ªb,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{16070100}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0180    4.4680    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5990    4.4584    0.0000 C   0  0
   -3.8991    3.7085    0.0000 O   0  0
   -5.1990    4.4587    0.0000 C   0  0
   -6.4995    3.7111    0.0000 C   0  0
   -7.7971    4.4635    0.0000 C   0  0
   -7.7944    5.9635    0.0000 C   0  0
   -9.0912    6.7189    0.0000 C   0  0
   -9.0864    8.2197    0.0000 C   0  0
   -7.8683    9.0731    0.0000 S   0  0
   -8.3243   10.5021    0.0000 C   0  0
   -7.4362   11.7110    0.0000 O   0  0
   -9.8242   10.5101    0.0000 N   0  0
  -10.2953    9.0859    0.0000 C   0  0
  -11.7216    8.6215    0.0000 O   0  0
   -6.4940    6.7111    0.0000 C   0  0
   -5.1963    5.9587    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11  5  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14  2  1  0
 14 15  1  0
  7 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 23  1  0
 28 29  2  0
 21 30  1  0
 30 31  2  0
 31 18  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15817

> <plate>
PLATE 007

> <well>
E3

> <supplier_cmpd_name>
Troglitazone

> <ctcr_id>
765

> <supplier_cmpd_id>
T3170

> <smiles>
Cc1c(C)c2OC(C)(CCc2c(C)c1O)COc3ccc(CC4SC(=O)NC4=O)cc3

> <pd_targets>
{MAOB,KMT2A,MEN1,PPARG,MAPT,RORC,ABCB11,PTPN1,NR1I2,RECQL,AKR1B1,MAOA,UGT1A6,MAPK1,ALOX15,CYP2C9,HTR2B,TBXAS1,ABCC4,CACNA1C,ADORA3,IDO1,CA2,ABCC3,IDO2,TRPM3,ACSL4,SERPINE1,SLC29A1,ESRRG,ESRRA}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor","Other cytosolic protein",Transporter,"Membrane receptor","Ion channel","Unclassified protein","Secreted protein",Oxidoreductase,Reader,"Nuclear r
eceptor","Primary active transporter",Phosphatase,Transferase,Kinase,"Cytochrome P450","Family A G protein-coupled receptor","Voltage-gated ion channel",Lyase,"Electrochemical transporter",Bromodomain
,"Nuclear hormone receptor subfamily 1","ATP-binding cassette","Protein Phosphatase","Protein Kinase","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Cytochrome P450 family 5","V
oltage-gated calcium channel","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 1 group C","Nuclear hormone receptor subfamily 1 group F",
"ABCB subfamily","Tyrosine protein phosphatase","Nuclear hormone receptor subfamily 1 group I","CMGC protein kinase group","Cytochrome P450 family 2C","Monoamine receptor","Cytochrome P450 family 5A",
"ABCC subfamily","Nucleotide-like receptor (family A GPCR)","SLC28 and SLC29 families of nucleoside transporters","Nuclear hormone receptor subfamily 3 group B","Nuclear hormone receptor subfamily 1 g
roup C member 3","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 1 group I member 2","CMGC protein kinase MAPK family","Cytochrome P450 2C9","Serotonin rece
ptor","Cytochrome P450 5A1","Adenosine receptor","SLC29 Facilitative nucleoside transporter family","Nuclear hormone receptor subfamily 3 group B member 3","Nuclear hormone receptor subfamily 3 group 
B member 1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Catecholamine turnover","Nuclear hormone receptors","ATP-binding cassette transporter family",Phosphatases,"1.-.-.- Oxidoreductases","Kinases (EC 2.7.x.
x)","Eicosanoid turnover","Cytochrome P450","G protein-coupled receptors","Voltage-gated ion channels","1.13.11.- Dioxygenases","Carbonic anhydrases","SLC superfamily of solute carriers","1C. Peroxiso
me proliferator-activated receptors","1F. Retinoic acid-related orphans","ABCB subfamily","Protein tyrosine phosphatases non-receptor type (PTPN)","1I. Vitamin D receptor-like receptors","CMGC: Contai
ning CDK",MAPK,GSK3,"CLK families",Lipoxygenases,"CYP2 family: drug metabolising subset","5-Hydroxytryptamine receptors",CYP5,"CYP7 and CYP8 families","ABCC subfamily","Voltage-gated calcium channels"
,"Adenosine receptors","Transient Receptor Potential channels","SLC28 and SLC29 families of nucleoside transporters","3B. Estrogen-related receptors","Mitogen-activated protein kinases (MAP kinases)",
"SLC29 family","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Neuronal System","Metabolism of proteins","Immune System","Signal Transduction",Hemostasis,"Developmental Biology","Transport of small molecules","Biolog
ical oxidations","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Metabolism of lipids","Post-translational protein modification","Innate Immune System","Signaling by GPCR","
Platelet activation","signaling and aggregation","Nervous system development","Metabolism of amino acids and derivatives","O2/CO2 exchange in erythrocytes","Ion channel transport","Integration of ener
gy metabolism","SLC-mediated transmembrane transport","Phase I - Functionalization of compounds","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","Meta
bolism of steroids",SUMOylation,"Phase II - Conjugation of compounds","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand binding","Response to eleva
ted platelet cytosolic Ca2+","Axon guidance","Tryptophan catabolism","Erythrocytes take up carbon dioxide and release oxygen","Stimuli-sensing channels","Regulation of insulin secretion","Transport of
 vitamins",nucleosides,"and related molecules","Amine Oxidase reactions","Transcriptional Regulation by MECP2","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUN
X3","Bile acid and bile salt metabolism","SUMO E3 ligases SUMOylate target proteins","Metabolism of steroid hormones",Glucuronidation,"Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DPA-derived
 SPMs","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Platelet degranulation","NCAM signaling for neurite out-growth","TRP channels","Free fatty acids regulate 
insulin secretion","Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer","Transport of nucleosides and free purine and pyrimidine bases across the plasma membrane","Nuclear Receptor transcripti
on pathway","Transcriptional regulation by RUNX2","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","MECP2 regulates transcription factors","Post NMDA receptor activation even
ts","RUNX3 Regulates Immune Response and Cell Migration","Synthesis of bile acids and bile salts","MECP2 regulates neuronal receptors and channels","SUMOylation of intracellular receptors","Pregnenolo
ne biosynthesis","MyD88 cascade initiated on plasma membrane","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Amine ligand-binding receptors",Eicosanoids,"NCAM1 interactions","Nucleotide-like (purinergic) 
receptors","Recycling of bile acids and salts","Intracellular metabolism of fatty acids regulates insulin secretion","SMAD2/SMAD3:SMAD4 heterotrimer regulates transcription","Regulation of RUNX2 expre
ssion and activity","Activation of AMPK downstream of NMDARs","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAP kinase activation","Biosynthesis of DPAn-3-derived protectins 
and resolvins","CYP2E1 reactions","Serotonin receptors","Adenosine P1 receptors","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CYP2C8,PPARG,TRPM3}

> <broad_moa>
{"insulin sensitizer","PPAR receptor agonist"}

> <synonyms>
{RESTW146,troglitazone,97322-87-7,97322877,Rezulin,Romglizone,Prelay,CS-045,CS045,Romozin,Noscal,"CS 045","Rezulin (TN)","GR 92132X","CCRIS 8969",GR92132X,"CI 991",CI-991,CI991,GR-92132X,C24H27NO5S,CH
EBI:9753,"Troglitazone (CS-045)","Troglitazone (CS045)",NCGC00164445-01,NCGC0016444501,DSSTox_CID_3719,DSSToxCID3719,DSSTox-CID-3719,"DSSTox CID 3719",DSSTox_RI,DSSToxRI,DSSTox-RI,"DSSTox RI",T3170,Pr
estw-1467,Troglitazone}

> <pdid>
PD004285

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5591}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 12 12  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 C   0  0
   -1.3032    3.7490    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  5 10  1  0
 10 11  1  0
 10 12  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15818

> <plate>
PLATE 007

> <well>
E4

> <supplier_cmpd_name>
Acetovanillone

> <ctcr_id>
1578

> <supplier_cmpd_id>
T6391

> <smiles>
COc1cc(ccc1O)C(C)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{NOX4}

> <broad_moa>
{"NADPH oxidase inhibitor"}

> <synonyms>
{Acetovanillone,apocynin,498-02-2,498022,4'-Hydroxy-3'-methoxyacetophenone,4'Hydroxy3'methoxyacetophenone,1-(4-Hydroxy-3-methoxyphenyl)ethanone,1(4Hydroxy3methoxyphenyl)ethanone,Acetoguaiacone,Apocyni
ne,Acetoguaiacon,4-Acetyl-2-methoxyphenol,4Acetyl2methoxyphenol,"Ethanone, 1-(4-hydroxy-3-methoxyphenyl)-","Ethanone, 1(4hydroxy3methoxyphenyl)",Acetovanilone,Acetovanyllon,3-Methoxy,3Methoxy,T6391,S2
425,Apocynin}

> <pdid>
PD000100

> <targets>
{Others,Apoptosis,Autophagy}

> <classes>
{Others,Apoptosis,Autophagy}

> <pubchem_cids>
{2214}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 51 53  0  0  1  0            999 V2000
   -1.3072   -2.8927    0.0000 C   0  0  1  0  0  0
   -0.1547   -3.8529    0.0000 C   0  0  1  0  0  0
   -0.4100   -5.3311    0.0000 C   0  0  2  0  0  0
   -1.8178   -5.8490    0.0000 C   0  0
   -2.9702   -4.8888    0.0000 C   0  0  2  0  0  0
   -2.7149   -3.4107    0.0000 O   0  0
   -4.3780   -5.4068    0.0000 C   0  0
    0.7450   -6.2894    0.0000 N   0  0
    0.4937   -7.7682    0.0000 C   0  0
    2.1515   -5.7681    0.0000 C   0  0
    1.2530   -3.3350    0.0000 O   0  0
   -1.0487   -1.4143    0.0000 O   0  0
    0.3504   -0.9017    0.0000 C   0  0  2  0  0  0
    2.0850   -1.8666    0.0000 C   0  0  2  0  0  0
    3.0501   -0.7172    0.0000 C   0  0  1  0  0  0
    4.5282   -0.9774    0.0000 C   0  0  2  0  0  0
    5.4933    0.1720    0.0000 C   0  0
    5.1513    1.1117    0.0000 O   0  0
    6.9714   -0.0881    0.0000 O   0  0
    7.9365    1.0613    0.0000 C   0  0  1  0  0  0
    7.4235    2.4708    0.0000 C   0  0  2  0  0  0
    5.9454    2.7310    0.0000 C   0  0  1  0  0  0
    5.4323    4.1405    0.0000 C   0  0  2  0  0  0
    3.9542    4.4006    0.0000 N   0  0
    2.9891    3.2512    0.0000 C   0  0
    1.5110    3.5114    0.0000 C   0  0  1  0  0  0
    0.5459    2.3620    0.0000 C   0  0
    1.0590    0.9525    0.0000 C   0  0  1  0  0  0
    1.7689    2.2738    0.0000 O   0  0
    1.7478   -0.3800    0.0000 C   0  0
    0.9980    4.9209    0.0000 C   0  0
    6.3963    5.2897    0.0000 C   0  0
    5.3027    1.9648    0.0000 O   0  0
    6.8771    3.8678    0.0000 O   0  0
    8.8942    2.1760    0.0000 C   0  0
    9.4140    0.7976    0.0000 C   0  0
    9.9250   -0.6127    0.0000 C   0  0
    5.0413   -2.3869    0.0000 C   0  0
    2.0830    0.4305    0.0000 O   0  0
    0.6054    0.1678    0.0000 C   0  0  1  0  0  0
    0.0874    1.5755    0.0000 C   0  0
   -1.3907    1.8309    0.0000 C   0  0  2  0  0  0
   -2.3509    0.6785    0.0000 C   0  0  2  0  0  0
   -1.8330   -0.7293    0.0000 C   0  0  1  0  0  0
   -0.3549   -0.9846    0.0000 O   0  0
   -2.7932   -1.8817    0.0000 C   0  0
   -3.3363    0.8487    0.0000 O   0  0
   -2.8553    2.0469    0.0000 O   0  0
   -3.2467    2.9671    0.0000 C   0  0
   -0.4026    2.9594    0.0000 C   0  0
    2.3571   -3.3417    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  1
  3  8  1  1
  8  9  1  0
  8 10  1  0
  2 11  1  6
  1 12  1  1
 13 12  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 13  1  0
 28 29  1  1
 28 30  1  0
 26 31  1  1
 23 32  1  6
 22 33  1  6
 21 34  1  6
 21 35  1  0
 20 36  1  1
 36 37  1  0
 16 38  1  6
 15 39  1  6
 40 39  1  6
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 40  1  0
 44 46  1  1
 43 47  1  6
 42 48  1  0
 48 49  1  0
 42 50  1  1
 14 51  1  6
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15819

> <plate>
PLATE 007

> <well>
E5

> <supplier_cmpd_name>
Azathramycin

> <ctcr_id>
11214

> <supplier_cmpd_id>
T3265

> <smiles>
[C@@H]1([C@@H]([C@H](C[C@H](O1)C)N(C)C)O)O[C@@H]1[C@H]([C@@H]([C@H](C(=O)O[C@@H]([C@]([C@@H]([C@H](NC[C@@H](C[C@]1(O)C)C)C)O)(O)C)CC)C)O[C@H]1C[C@]([C@H]([C@@H](O1)C)O)(OC)C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Azathramycin,"Azaerythromycin A",76801-85-9,76801859,UNII-4LSP9FJT5B,UNII4LSP9FJT5B,4LSP9FJT5B,"9-Deoxo-9a-aza-9a-homoerythromycin A","9Deoxo9aaza9ahomoerythromycin A","DESMETHYL AZITHROMYCIN","DD-Az
aerythromycin A","DDAzaerythromycin A",6-Demethylazithromycin,6Demethylazithromycin,desmethyl-azithromycin,desmethylazithromycin,10-Dihydro-10-deoxo-11-azaerythromyci,10Dihydro10deoxo11azaerythromyci,
T3265}

> <pdid>
PD012357

> <targets>
{Antibiotic,Bacterial}

> <classes>
{Microbiology&Virology,Anti-infection}

> <pubchem_cids>
{9810601}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    5.1929   -3.0062    0.0000 C   0  0
    5.1933   -1.5053    0.0000 C   0  0
    6.4928   -0.7545    0.0000 C   0  0
    6.4933    0.7455    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 C   0  0
    1.8032    3.1233    0.0000 C   0  0
    2.6837    4.3363    0.0000 C   0  0
    4.1755    4.1795    0.0000 C   0  0
    4.7856    2.8092    0.0000 C   0  0
    3.9040    1.5957    0.0000 C   0  0
    5.0572    5.3931    0.0000 Cl  0  0
    0.3114    2.9665    0.0000 C   0  0
   -0.6936    4.0776    0.0000 C   0  0
   -2.1612    3.7632    0.0000 C   0  0
   -3.1690    4.8741    0.0000 C   0  0
   -4.6351    4.5569    0.0000 C   0  0
   -5.0934    3.1286    0.0000 C   0  0
   -4.0856    2.0176    0.0000 C   0  0
   -2.6195    2.3348    0.0000 C   0  0
   -6.5594    2.8113    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Cl  0  0
    3.8976   -0.7553    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 15 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 26 29  1  0
 21 30  1  0
 30 13  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 12  1  0
 32 34  1  0
 11 35  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15820

> <plate>
PLATE 007

> <well>
E6

> <supplier_cmpd_name>
Lumefantrine

> <ctcr_id>
11215

> <supplier_cmpd_id>
T3266

> <smiles>
CCCCN(CCCC)CC(c1c2c3c(cc(cc3)Cl)/C(=C/c3ccc(cc3)Cl)/c2cc(c1)Cl)O

> <pd_targets>
{KCNH2,FFP,RORC}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Transcription factor","Voltage-gated ion channel",Transferase,"Nuclear receptor","Potassium channels","Nuclear hormone receptor subfamily 1","Voltage-gated potassium channel","N
uclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{"Ion channels",Receptors,"Voltage-gated ion channels","Nuclear hormone receptors","Potassium channels","1F. Retinoic acid-related orphans","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Muscle contraction","Gene expression (Transcription)","Cardiac conduction","RNA Polymerase II Transcription","Phase 3 - rapid repolarisation","Generic Transcription Pathway","Transcriptional regulat
ion by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{ATP1A1}

> <broad_moa>
{"antimalarial agent"}

> <synonyms>
{Lumefantrine,Benflumetol,82186-77-4,82186774,dl-Benflumelol,dlBenflumelol,"Lumefantrine, (+)-","Lumefantrine, (+)","Lumefantrine, (-)-","Lumefantrine, ()",UNII-ZUV4B00D9P,UNIIZUV4B00D9P,UNII-01NP22J3
SV,UNII01NP22J3SV,ZUV4B00D9P,GNF-Pf-1971,GNFPf1971,01NP22J3SV,CHEBI:156095,CPG-56695,CPG56695,MFCD05662268,"HSDB 7210",NCGC00167490-01,NCGC0016749001,DSSTox_CID_26663,DSSToxCID26663,DSSTox-CID-26663,"
DSSTox CID 26663",DS,T3266}

> <pdid>
PD000476

> <targets>
{Antiparasitic}

> <classes>
{Others}

> <pubchem_cids>
{6437380}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 45 49  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.6051   -5.9945    0.0000 N   0  3
    2.6101   -7.4945    0.0000 O   0  5
    3.9019   -5.2406    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -5.1894   -6.0109    0.0000 N   0  0
   -5.1894   -7.5110    0.0000 C   0  0
   -6.4884   -8.2610    0.0000 C   0  0
   -7.7875   -7.5110    0.0000 N   0  0
   -7.7875   -6.0110    0.0000 C   0  0
   -6.4885   -5.2610    0.0000 C   0  0
   -9.0882   -8.2597    0.0000 C   0  0
  -10.3867   -7.5071    0.0000 C   0  0
  -10.3874   -6.0071    0.0000 C   0  0
  -11.6867   -5.2576    0.0000 C   0  0
  -12.9855   -6.0081    0.0000 C   0  0
  -12.9849   -7.5081    0.0000 C   0  0
  -11.6855   -8.2576    0.0000 C   0  0
   -9.0897   -9.7605    0.0000 C   0  0
   -7.7930  -10.5146    0.0000 C   0  0
   -7.7975  -12.0145    0.0000 C   0  0
   -9.0988  -12.7606    0.0000 C   0  0
  -10.3956  -12.0066    0.0000 C   0  0
  -10.3910  -10.5067    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11  5  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 10 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
 29 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 33  1  0
 32 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 44 39  1  0
  9 45  1  0
M  CHG  2  18   1  19  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15821

> <plate>
PLATE 007

> <well>
E7

> <supplier_cmpd_name>
Manidipine

> <ctcr_id>
6604

> <supplier_cmpd_id>
T6577

> <smiles>
COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+]([O-])=O)C(=O)OCCN3CCN(CC3)C(c4ccccc4)c5ccccc5)C

> <pd_targets>
{RORC,ABCB1,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNA1A,CACNB1,CACNB2,CACNB3,CACNB4,CACNA1G,CACNA1H,CACNA1I}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,Transporter,"Ion channel","Nuclear receptor",Protease,"Primary active transporter","Voltage-gated ion channel","Nuclear hormone receptor subfamily 1","Cysteine protease"
,"ATP-binding cassette","Voltage-gated calcium channel","Nuclear hormone receptor subfamily 1 group F","Cysteine protease CA clan","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F member
 3","Cysteine protease C1A family"}

> <pathway_chembl>
{Receptors,Transporters,"Nuclear hormone receptors","ATP-binding cassette transporter family","1F. Retinoic acid-related orphans","ABCB subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"RNA Polymerase II Transcription","Abacavir transport and metabolism","Generic Transcription Pathway","Abacavir transmembrane transport","Transcriptional 
regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{CACNA1C,CACNA1D}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{manidipine,89226-50-6,89226506,120092-68-4,120092684,"Manidipine 6300",Artedil,Iperten,"Manidipine (INN)","Manidipine (Manyper)",C35H38N4O6,Franidipine,"CV 4093",CHEMBL312176,MFCD00871291,SMR00350079
3,NCGC00167493-01,NCGC0016749301,NCGC00167493-04,NCGC0016749304,"Manidipine 6300 (INN)",Arted,T0193,T6577,S2481,"Manidipine dihydrochloride",Manidipine}

> <pdid>
PD001137

> <targets>
{"Calcium Channel"}

> <classes>
{"Transmembrane Transporters"}

> <pubchem_cids>
{4008}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 19  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6999    0.7500    0.0000 C   0  0
   12.9999    0.0000    0.0000 C   0  0
   14.2999    0.7500    0.0000 C   0  0
   15.5999    0.0000    0.0000 C   0  0
   16.8999    0.7500    0.0000 C   0  0
   18.1999    0.0000    0.0000 C   0  0
   19.4998    0.7500    0.0000 C   0  0
   20.7998    0.0000    0.0000 C   0  0
   22.0998    0.7500    0.0000 C   0  0
   23.3991    1.4996    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  3  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15822

> <plate>
PLATE 007

> <well>
E8

> <supplier_cmpd_name>
Parthenolide

> <ctcr_id>
8275

> <supplier_cmpd_id>
T2140

> <smiles>
OC(=O)CCCCCCCCCCCCCCCC#C

> <pd_targets>
{CYP2D6,CYP2C19,CYP2C9,MAPT,CYP1A2,HSD17B10,CYP4F2,LEF}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Cytochrome P450",Oxidoreductase,Protease,"Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 4","Metallo protease","Cytochrome P450 family 
2D","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 family 4F","Metallo protease MAE clan","Cytochrome P450 2D6","Cytochrome P450 2C19","Cytochrome P450 2C9","Cytochrome P450 
1A1","Cytochrome P450 4F2","Metallo protease M34 family"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset","CYP1 family","CYP4 family"}

> <pathway_reactome>
{Metabolism,"Neuronal System",Disease,"Biological oxidations","Transmission across Chemical Synapses","Metabolism of amino acids and derivatives","Infectious disease","Phase I - Functionalization of c
ompounds","Neurotransmitter receptors and postsynaptic signal transmission","Branched-chain amino acid catabolism","Uptake and actions of bacterial toxins","Cytochrome P450 - arranged by substrate typ
e","Activation of NMDA receptors and postsynaptic events","Uptake and function of anthrax toxins",Xenobiotics,"Post NMDA receptor activation events",Eicosanoids,"CYP2E1 reactions","Activation of AMPK 
downstream of NMDARs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"7OCTADECYNOIC ACI","17-octadecynoic acid","17octadecynoic acid",34450-18-5,34450185,"Octadec-17-ynoic acid","Octadec17ynoic acid","Alkynyl Stearic Acid",17-ODYA,17ODYA,MFCD00077382,17-OCTADECYNOICAC
ID,17OCTADECYNOICACID,SR-01000597622,SR01000597622,Tocris-0607,Tocris0607,"17-octadecyn-1-oic acid","17octadecyn1oic acid",CBiol_001996,CBiol001996,CBiol-001996,"CBiol 001996",BSPBio_001367,BSPBio0013
67,BSPBio-001367,"BSPBio 001367",KBioGR_000087,KBioGR000087,KBioGR-000087,"KBioGR 000087",KBioSS_000087,KBioSS000087,KBioSS-000087,"KBioSS 000087",SC,90270,parthenolide}

> <pdid>
PD020042

> <targets>
{Apoptosis,Autophagy,Mitophagy,NF-ºB}

> <classes>
{Apoptosis,Autophagy,NF-ºB}

> <pubchem_cids>
{1449}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 25  0  0  1  0            999 V2000
    0.1500   -2.8200    0.0000 O   0  0
    1.8400   -2.8200    0.0000 C   0  0  1  0  0  0
    2.6900   -1.3600    0.0000 C   0  0  1  0  0  0
    1.8400    0.1000    0.0000 C   0  0  2  0  0  0
    2.6900    1.5700    0.0000 C   0  0
    1.8400    3.0300    0.0000 C   0  0
    0.1500    3.0300    0.0000 C   0  0  2  0  0  0
   -0.6900    1.5700    0.0000 C   0  0  1  0  0  0
    0.1500    0.1000    0.0000 C   0  0  2  0  0  0
   -0.6900   -1.3600    0.0000 C   0  0  1  0  0  0
   -1.9100   -1.3600    0.0000 O   0  0
   -2.7600   -0.5000    0.0000 C   0  0  2  0  0  0
   -2.1000    0.1500    0.0000 O   0  0
   -1.1700    0.6900    0.0000 O   0  0
   -2.7600    0.7100    0.0000 C   0  0
   -1.9100    1.5700    0.0000 C   0  0
   -1.3725    0.0700    0.0000 C   0  0
   -0.6010    4.3285    0.0000 C   0  0
    4.1900   -1.3600    0.0000 C   0  0
    2.5846   -4.1210    0.0000 O   0  0
    1.8301   -5.4184    0.0000 C   0  0
    2.5752   -6.7203    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  9 10  1  0
 10  1  1  6
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
  9 14  1  6
 12 15  1  0
 15 16  1  0
  8 16  1  1
 12 17  1  6
  7 18  1  6
  3 19  1  1
  2 20  1  1
 20 21  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15823

> <plate>
PLATE 007

> <well>
E9

> <supplier_cmpd_name>
Arteether

> <ctcr_id>
11234

> <supplier_cmpd_id>
T3327

> <smiles>
O1[C@@H]([C@@H]([C@@H]2CC[C@H]([C@H]3[C@@]42[C@H]1O[C@](OO4)(CC3)C)C)C)OCC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{Arteether,Artemotil,75887-54-6,75887546,Beta-Arteether,BetaArteether,SM-227,SM227,"beta-Dihydroartemisinin ethyl ether","betaDihydroartemisinin ethyl ether",Artecef,"E MAL",CHEMBL301267,GTPL9958,SCHE
MBL17156474,CHEBI:135335,BCP28298,C17H28O5,HY-B0770,HYB0770,ZINC8214360,BDBM50426305,MFCD00869355,s3889,CCG-267602,CCG267602,CS-55,CS55,T3327}

> <pdid>
PD000642

> <targets>
{CCL4,CCL5,CXCL10,CXCL9,Parasite}

> <classes>
{Autophagy,Immunology/Inflammation,GPCR/G Protein,Microbiology&Virology,Anti-infection}

> <pubchem_cids>
{3000469}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 61 69  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.2503   -0.4635    0.0000 C   0  0
   -3.6769    0.0000    0.0000 C   0  0
   -3.6769    1.5000    0.0000 C   0  0
   -2.2503    1.9635    0.0000 O   0  0
   -5.1013    1.9635    0.0000 C   0  0
   -5.9830    0.7500    0.0000 C   0  0
   -5.1013   -0.4635    0.0000 C   0  0
   -5.6966   -1.8378    0.0000 C   0  0
   -7.1878   -1.9998    0.0000 C   0  0
   -8.0737   -0.7894    0.0000 C   0  0
   -7.4684    0.5831    0.0000 C   0  0
   -8.3543    1.7936    0.0000 C   0  0
   -9.8456    1.6316    0.0000 C   0  0
  -10.4509    0.2591    0.0000 C   0  0
   -9.5650   -0.9513    0.0000 C   0  0
  -10.1703   -2.3238    0.0000 C   0  0
  -11.6616   -2.4857    0.0000 C   0  0
  -12.5475   -1.2753    0.0000 C   0  0
  -11.9421    0.0971    0.0000 C   0  0
  -14.0398   -1.4343    0.0000 O   0  0
  -14.9245   -0.2219    0.0000 C   0  0
  -16.4163   -0.3787    0.0000 C   0  0
  -17.2980    0.8349    0.0000 C   0  0
  -16.6879    2.2052    0.0000 C   0  0
  -15.1962    2.3620    0.0000 C   0  0
  -14.3145    1.1485    0.0000 O   0  0
  -14.5829    3.7318    0.0000 C   0  0
  -13.0909    3.8866    0.0000 O   0  0
  -17.5676    3.4212    0.0000 O   0  0
  -16.9553    4.7914    0.0000 C   0  0
  -17.8327    6.0080    0.0000 C   0  0
  -17.2179    7.3762    0.0000 C   0  0
  -15.7256    7.5279    0.0000 C   0  0
  -14.8481    6.3114    0.0000 C   0  0
  -15.4629    4.9431    0.0000 O   0  0
  -13.3558    6.4630    0.0000 C   0  0
  -15.1108    8.8961    0.0000 O   0  0
  -18.0954    8.5928    0.0000 O   0  0
  -19.3250    5.8564    0.0000 O   0  0
  -18.7898    0.6780    0.0000 O   0  0
  -17.0296   -1.7485    0.0000 O   0  0
  -18.5224   -1.9032    0.0000 C   0  0
  -19.1374   -3.2714    0.0000 C   0  0
  -20.6297   -3.4230    0.0000 C   0  0
  -21.5072   -2.2064    0.0000 C   0  0
  -20.8923   -0.8382    0.0000 C   0  0
  -19.4000   -0.6866    0.0000 O   0  0
  -21.7698    0.3784    0.0000 C   0  0
  -22.9995   -2.3580    0.0000 O   0  0
  -21.2446   -4.7912    0.0000 O   0  0
  -18.2600   -4.4880    0.0000 O   0  0
   -8.6791   -2.1618    0.0000 C   0  0
   -4.0918   -1.5729    0.0000 C   0  0
   -1.8129   -1.8983    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  3
 19 20  1  0
 20 15  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
 30 32  1  0
 32 33  1  0
 29 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 35  1  0
 39 41  1  0
 38 42  1  0
 37 43  1  0
 36 44  1  0
 28 45  1  0
 27 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 47  1  0
 51 53  1  0
 50 54  1  0
 49 55  1  0
 48 56  1  0
 20 57  1  0
 12 58  1  0
  6 59  1  0
  5 60  1  0
 60 61  1  0
 61  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15824

> <plate>
PLATE 007

> <well>
E10

> <supplier_cmpd_name>
Dioscin

> <ctcr_id>
7827

> <supplier_cmpd_id>
T6473

> <smiles>
CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1

> <pd_targets>
{CXCR3,SLCO1B3}

> <pathway_gtopdb>
{"Membrane receptor",Transporter,"Family A G protein-coupled receptor","Electrochemical transporter","Peptide receptor (family A GPCR)","SLC superfamily of solute carriers","Chemokine receptor","SLC21
/SLCO family of organic anion transporting polypeptides","CXC chemokine receptor"}

> <pathway_chembl>
{Receptors,Transporters,"G protein-coupled receptors","SLC superfamily of solute carriers","Chemokine receptors","SLCO family of organic anion transporting polypeptides"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Signaling by GPCR","Metabolism of lipids","GPCR ligand binding","Metabolism of steroids","Class A/1 (Rhodopsin-like receptors)","Bile acid and bile salt metabolism",
"Peptide ligand-binding receptors","Recycling of bile acids and salts","Chemokine receptors bind chemokines"}

> <broad_targets>
{CXCR3}

> <broad_moa>
{"apoptosis stimulant"}

> <synonyms>
{905760,19057-60-4,19057604,CHEMBL4303704,SW222232-1,SW2222321,BRD-K37723606-001-01-5,BRDK37723606001015,T3895,T6473,S2379,"Polyphyllin I",Dioscin}

> <pdid>
PD012045

> <targets>
{Akt,Apoptosis,Autophagy,JNK,mTOR,PDK-1}

> <classes>
{Apoptosis,Autophagy,MAPK/ERK Pathway,PI3K/Akt/mTOR}

> <pubchem_cids>
{129010051}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -2.5981    3.0000    0.0000 O   0  0
    6.4924   -3.7566    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17  7  1  0
 14 18  1  0
 13 19  1  0
 12 20  1  0
  3 21  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15825

> <plate>
PLATE 007

> <well>
E11

> <supplier_cmpd_name>
Scutellarein

> <ctcr_id>
11478

> <supplier_cmpd_id>
T3319

> <smiles>
c1cc(ccc1c1cc(=O)c2c(c(c(cc2o1)O)O)O)O

> <pd_targets>
{PKM,UGT1A1,NA,CYP1A1,GRK6,AMY1A,CYP1B1,AURKB,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,PTPRS,XDH,NEU2,PPARG}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Transcription factor",Transferase,Hydrolase,"Cytochrome P450",Kinase,"Ligand-gated ion channel",Phosphatase,Oxidoreductase,"Nuclear receptor","Cytochrome P450 family 1","Protein
 Kinase","GABA-A receptor","Protein Phosphatase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 1A","AGC protein kinase group","Cytochrome P450 family 1B","Other protein kinase group",
"Tyrosine protein phosphatase","Nuclear hormone receptor subfamily 1 group C","Cytochrome P450 1A1","AGC protein kinase GRK family","Cytochrome P450 1B1","Other protein kinase AUR family","Receptor ty
rosine-protein phosphatase","Nuclear hormone receptor subfamily 1 group C member 3","AGC protein kinase GRK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"2.7.1.40 Pyruvate kinases","UDP glucuronosyltransferases (UGT)","Cytochrome P450","Kinases (EC 2.7.x.x)","Catalytic receptors","1.-.-.- Oxidoreductases","Nuclear hormone receptors"
,"CYP1 family","AGC: Containing PKA",PKG,"PKC families","Receptor kinases","Receptor tyrosine phosphatase (RTP) family","1C. Peroxisome proliferator-activated receptors","G protein-coupled receptor ki
nases (GRKs)","Other protein kinases","GRK4 subfamily","Aurora kinase (Aur) family"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Cell Cycle","Metabolism of proteins","Gene expression (Transcription)","Metabolism of carbohydrates","Diseases of metabolism","Infectious disease","Biologica
l oxidations","Signaling by GPCR",Mitotic,"Signaling by Receptor Tyrosine Kinases","Metabolism of nucleotides","Post-translational protein modification","RNA Polymerase II Transcription","Glucose meta
bolism","Metabolic disorders of biological oxidation enzymes","Influenza Infection","Phase I - Functionalization of compounds","GPCR downstream signalling","M Phase","Signaling by NTRKs","Nucleobase c
atabolism","Asparagine N-linked glycosylation","Generic Transcription Pathway",Glycolysis,"Defective UGT1A1 causes hyperbilirubinemia","Virus Assembly and Release","Cytochrome P450 - arranged by subst
rate type","G alpha (s) signalling events","Mitotic Metaphase and Anaphase","Signaling by NTRK3 (TRKC)","Purine catabolism","Biosynthesis of the N-glycan precursor (dolichol lipid-linked oligosacchari
de","LLO) and transfer to a nascent protein","Transcriptional Regulation by MECP2","Assembly of Viral Components at the Budding Site",Xenobiotics,"Endogenous sterols","Mitotic Anaphase","Synthesis of 
substrates in N-glycan biosythesis","MECP2 regulates transcription factors","Transport of HA trimer","NA tetramer and M2 tetramer from the endoplasmic reticulum to the Golgi Apparatus","Separation of 
Sister Chromatids","Sialic acid metabolism"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Scutellarein,529-53-3,529533,6-Hydroxyapigenin,6Hydroxyapigenin,"5,6,7,4'-Tetrahydroxyflavone","5,6,7,4'Tetrahydroxyflavone","4',5,6,7-tetrahydroxyflavone","4',5,6,7tetrahydroxyflavone",SCUTELLARTLN,
"5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one","5,6,7trihydroxy2(4hydroxyphenyl)4Hchromen4one","5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one","5,6,7trihydroxy2(4hydroxyphenyl)chromen4one
",UNII-P460GTI853,UNIIP460GTI853,5,T3319}

> <pdid>
PD052626

> <targets>
{Src}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{5281697}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    6.4870   -5.2597    0.0000 C   0  0
    6.4915   -3.7597    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -5.1984    1.4977    0.0000 O   0  0
   -6.4964    0.7459    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
    6.4963   -0.7535    0.0000 O   0  0
    6.4965    0.7465    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19  9  1  0
 16 20  1  0
 15 21  1  0
 21 22  1  0
 14 23  1  0
  4 24  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15826

> <plate>
PLATE 007

> <well>
F2

> <supplier_cmpd_name>
Eupatilin

> <ctcr_id>
11235

> <supplier_cmpd_id>
T3362

> <smiles>
COc1c(cc(cc1)c1cc(=O)c2c(c(c(cc2o1)O)OC)O)OC

> <pd_targets>
{OPRM1,OPRD1}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Opioid receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Opioid receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR downstream signalling","GPCR ligand binding","G alpha (i) signalling events","Class A/1 (Rhodopsin-like receptors)","Opioid Signalling","Peptide ligand
-binding receptors","G-protein activation"}

> <broad_targets>
{}

> <broad_moa>
{"mucus protecting agent"}

> <synonyms>
{Eupatilin,22368-21-4,22368214,Euptailin,"5,7-Dihydroxy-3',4',6-trimethoxyflavone","5,7Dihydroxy3',4',6trimethoxyflavone",CHEBI:4932,UNII-4D58O05490,UNII4D58O05490,"2-(3,4-dimethoxyphenyl)-5,7-dihydro
xy-6-methoxychromen-4-one","2(3,4dimethoxyphenyl)5,7dihydroxy6methoxychromen4one",CHEMBL312750,4D58O05490,"NSC 122413",SCHEMBL1033509,"Eupatilin, >=98 (HPLC)",DTXSI,T3362}

> <pdid>
PD017172

> <targets>
{Autophagy,PPAR}

> <classes>
{Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{5273755}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 40 41  0  0  1  0            999 V2000
    2.8240    4.8530    0.0000 C   0  0
    4.1217    4.1006    0.0000 O   0  0
    4.1200    2.6000    0.0000 C   0  0  2  0  0  0
    2.8100    1.8400    0.0000 C   0  0
    1.5100    2.6000    0.0000 C   0  0  2  0  0  0
    1.5125    4.1000    0.0000 C   0  0
    0.2000    1.8400    0.0000 C   0  0
   -1.0900    2.6000    0.0000 C   0  0
   -1.0900    4.1100    0.0000 C   0  0
    0.2067    4.8655    0.0000 O   0  0
    0.2017    6.3655    0.0000 C   0  0
   -2.4000    4.8600    0.0000 C   0  0
   -2.4025    6.3600    0.0000 O   0  0
   -3.7000    4.1100    0.0000 C   0  0
   -3.7000    2.6000    0.0000 C   0  0
   -5.0100    1.8400    0.0000 N   0  0
   -5.0100    0.3400    0.0000 C   0  0
   -6.3055   -0.4161    0.0000 O   0  0
   -3.7000   -0.4000    0.0000 C   0  0
   -3.2700   -2.0600    0.0000 C   0  0
   -1.0900   -1.9100    0.0000 C   0  0
    0.2000   -2.6700    0.0000 C   0  0
    0.1702   -4.1842    0.0000 C   0  0  1  0  0  0
    1.5117   -0.4094    0.0000 O   0  0
    0.2140    0.3430    0.0000 C   0  0
    2.8100   -2.6700    0.0000 C   0  0  2  0  0  0
    2.8021   -4.1706    0.0000 O   0  0
    1.4989   -4.9150    0.0000 C   0  0
    0.6354   -4.4107    0.0000 N   0  0
    1.4909   -6.4149    0.0000 O   0  0
    4.1200   -1.9100    0.0000 C   0  0
    4.1200   -0.4000    0.0000 C   0  0
    5.4200    0.3400    0.0000 C   0  0  1  0  0  0
    6.7167   -0.4140    0.0000 C   0  0
    5.4200    1.8400    0.0000 C   0  0  2  0  0  0
    6.7211    2.5865    0.0000 O   0  0
    5.4198   -2.6586    0.0000 C   0  0
   -2.9070    0.2092    0.0000 C   0  0
   -2.4000    1.8400    0.0000 C   0  0
   -2.4017    0.8400    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  6
 24 25  1  0
 23 26  1  0
 26 27  1  1
 27 28  1  0
 28 29  1  0
 28 30  2  0
 26 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  6
 33 35  1  0
 35  3  1  0
 35 36  1  1
 31 37  1  0
 19 38  1  0
 15 39  1  0
 39  8  1  0
 39 40  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15827

> <plate>
PLATE 007

> <well>
F3

> <supplier_cmpd_name>
Geldanamycin

> <ctcr_id>
5825

> <supplier_cmpd_id>
T6343

> <smiles>
CO[C@@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)C(=C/C=C\[C@@H](OC)[C@H](OC(N)=O)\C(=C\[C@@H](C)[C@@H]1O)C)/C)C2=O

> <pd_targets>
{HSP90AA1,HSP90AB1,HSP82,ALD,RORC,HSP90B1,TRAP1,ABL1,BCR}

> <pathway_gtopdb>
{"Other cytosolic protein","Unclassified protein",Enzyme,"Transcription factor","Other membrane protein","Nuclear receptor",Kinase,"Nuclear hormone receptor subfamily 1","Protein Kinase","Nuclear horm
one receptor subfamily 1 group F","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase BCR family"}

> <pathway_chembl>
{"Other protein targets",Receptors,"Heat shock proteins","Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)","Immune System",Metabolism,Mitotic,"RNA Polymerase II Transcription","Cytokine Signaling in Immune system","The citric acid (TCA) cycle and respiratory 
electron transport","Mitotic G2-G2/M phases","Generic Transcription Pathway","Signaling by Interleukins","Respiratory electron transport","ATP synthesis by chemiosmotic coupling","and heat production 
by uncoupling proteins.","G2/M Transition","Transcriptional regulation by RUNX3","Interleukin-4 and Interleukin-13 signaling","Centrosome maturation","The role of GTSE1 in G2/M progression after G2 ch
eckpoint","RUNX3 Regulates Immune Response and Cell Migration","Loss of proteins required for interphase microtubule organization from the centrosome","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
{HSP90AA1}

> <broad_moa>
{"HSP inhibitor"}

> <synonyms>
{geldanamycin,NSC122750,Geldanamicin,30562-34-6,"Antibiotic U 29135","Antibiotic (U-29,135)",AC-6794,CHEMBL182055,ZINC8234390,AKOS025402235,"NSC 122750"}

> <pdid>
PD006581

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5281885}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    3.8976   -0.7500    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    3.8982   -2.2498    0.0000 C   0  0
    2.5997   -3.0012    0.0000 C   0  0
    3.8988   -3.7512    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -5.1937   -3.0093    0.0000 O   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -5.1876   -6.0124    0.0000 C   0  0
   -5.1824   -7.5124    0.0000 C   0  0
   -3.8808   -8.2579    0.0000 C   0  0
   -2.5843   -7.5034    0.0000 C   0  0
   -2.5895   -6.0034    0.0000 C   0  0
   -3.8756   -9.7579    0.0000 O   0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0031    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  2  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
  9 23  1  0
 23 24  1  0
  7 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15828

> <plate>
PLATE 007

> <well>
F4

> <supplier_cmpd_name>
Licochalcone A

> <ctcr_id>
11479

> <supplier_cmpd_id>
T3600

> <smiles>
CC(C)(C=C)c1c(cc(c(c1)/C=C/C(=O)c1ccc(cc1)O)OC)O

> <pd_targets>
{PTPN1,NANH}

> <pathway_gtopdb>
{Enzyme,Phosphatase,Hydrolase,"Protein Phosphatase","Tyrosine protein phosphatase"}

> <pathway_chembl>
{Enzymes,Phosphatases,"Protein tyrosine phosphatases non-receptor type (PTPN)"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by MECP2","MECP2 regulates neuronal receptors and channels"}

> <broad_targets>
{PTPN1}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{"licochalcone a",58749-22-7,58749227,Licochalcone-A,LicochalconeA,UNII-JTV5467968,UNIIJTV5467968,CHEMBL139702,JTV5467968,"Licochalcone-A, Synthetic","LicochalconeA, Synthetic","3-Dimethylallyl-4,4'-d
ihydroxy-6-methoxychalcone","3Dimethylallyl4,4'dihydroxy6methoxychalcone","LICOAGROCHACONE A","Licohalconel A",SCHEMBL114042,"Chalcone base",T3600,"Licochalcone A"}

> <pdid>
PD017864

> <targets>
{Caspase-3}

> <classes>
{Apoptosis,Proteases/Proteasome}

> <pubchem_cids>
{5318998}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 37  0  0  1  0            999 V2000
    4.5778    2.2976    0.0000 C   0  0
    5.0938    1.4410    0.0000 C   0  0
    6.5935    1.4694    0.0000 O   0  0
    4.3672    0.1278    0.0000 O   0  0
    2.8700    0.1000    0.0000 C   0  0  2  0  0  0
    1.9700    1.2900    0.0000 C   0  0  1  0  0  0
    0.4900    0.8100    0.0000 C   0  0  1  0  0  0
   -0.7700    1.5700    0.0000 C   0  0
   -2.0400    0.8500    0.0000 C   0  0
   -2.1000   -0.6500    0.0000 C   0  0  1  0  0  0
   -0.7700   -1.4300    0.0000 C   0  0  2  0  0  0
    0.5200   -0.6300    0.0000 C   0  0  1  0  0  0
    1.9300   -1.1700    0.0000 C   0  0  2  0  0  0
    0.8300   -2.1400    0.0000 O   0  0
   -0.7500   -2.9800    0.0000 C   0  0
   -2.1000   -3.7900    0.0000 C   0  0
   -3.4200   -2.9800    0.0000 C   0  0  1  0  0  0
   -3.4400   -1.4500    0.0000 C   0  0  2  0  0  0
   -4.7900   -0.6500    0.0000 C   0  0
   -6.1600   -1.4700    0.0000 C   0  0
   -6.1100   -3.0200    0.0000 C   0  0  1  0  0  0
   -4.7600   -3.8100    0.0000 C   0  0
   -7.3990   -3.7871    0.0000 O   0  0
   -3.4424    0.0500    0.0000 C   0  0
    0.6615    2.3002    0.0000 C   0  0
    2.4204    2.7216    0.0000 C   0  0
    1.4860    3.8893    0.0000 C   0  0
    2.0325    5.2862    0.0000 O   0  0
    3.5155    5.5114    0.0000 C   0  0
    4.0620    6.9083    0.0000 O   0  0
    4.4520    4.3396    0.0000 C   0  0
    3.9056    2.9427    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
 10  9  1  1
 10 11  1  0
 11 12  1  0
 12  7  1  0
 12 13  1  0
 13  5  1  0
 13 14  1  1
 12 14  1  1
 11 15  1  6
 15 16  1  0
 17 16  1  6
 17 18  1  0
 18 10  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 21 23  1  1
 18 24  1  1
  7 25  1  1
  6 26  1  1
 26 27  2  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  2  0
 32 26  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15829

> <plate>
PLATE 007

> <well>
F5

> <supplier_cmpd_name>
Cinobufagin

> <ctcr_id>
11480

> <supplier_cmpd_id>
T3432

> <smiles>
CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@]42[C@@H]1O4)CC[C@H]1[C@@]3(CC[C@@H](C1)O)C)C)c1coc(=O)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Cinobufagin,470-37-1,470371,Cinobufagine,Cino-bufagin,UNII-T9PSN4R8IR,UNIIT9PSN4R8IR,T9PSN4R8IR,CHEBI:80805,C26H34O6,NSC90325,MFCD00056825,"NSC 90325",SCHEMBL642990,CHEMBL250785,AMY40639,HY-N0421,HYN
0421,ZINC4215351,8074AH,NSC-90325,s3224,CCG-208337,CCG208337,CS-3697,CS3697,C3460,N1154,C16,T3432}

> <pdid>
PD011959

> <targets>
{Na+/K+-ATPase,Apoptosis,Autophagy}

> <classes>
{Membrane transporter/Ion channel,Apoptosis,Autophagy}

> <pubchem_cids>
{11969542}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 37 40  0  0  1  0            999 V2000
    5.1828   -6.0130    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0  1  0  0  0
    2.5847   -6.0040    0.0000 C   0  0  2  0  0  0
    2.5795   -7.5040    0.0000 O   0  0
    1.2883   -5.2495    0.0000 C   0  0  2  0  0  0
    1.2935   -3.7495    0.0000 C   0  0  2  0  0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    3.8915   -3.7585    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -2.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.6012    3.0008    0.0000 C   0  0
   -3.9020    3.7494    0.0000 C   0  0
   -3.9051    5.2502    0.0000 C   0  0
   -5.2052    5.9983    0.0000 C   0  0
   -2.6074    6.0025    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 O   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    3.8943    3.7525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
    6.4915    3.7597    0.0000 O   0  0
    6.4870    5.2597    0.0000 C   0  0
    0.4292   -3.2465    0.0000 O   0  0
   -0.0133   -5.9950    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  2  1  0
  7  9  1  6
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 10  1  0
 15 16  2  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 13  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  3
 23 24  1  0
 23 25  1  0
 19 26  1  0
 17 27  1  0
 11 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 31 34  1  0
 34 35  1  0
  6 36  1  1
  5 37  1  1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15830

> <plate>
PLATE 007

> <well>
F6

> <supplier_cmpd_name>
Baohuoside I

> <ctcr_id>
11481

> <supplier_cmpd_id>
T3396

> <smiles>
C[C@H]1[C@H](O)[C@H]([C@H]([C@@H](O1)Oc1c(oc2c(c1=O)c(cc(c2CC=C(C)C)O)O)c1ccc(cc1)OC)O)O

> <pd_targets>
{KDM1A,PDE5A}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Phosphodiesterase,"Lysine demethylase","Phosphodiesterase 5","Lysine-specific demethylase","Phosphodiesterase 5A"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cyclic nucleotide turnover/signalling","1.14.11.- Histone demethylases",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)"}

> <pathway_reactome>
{"Signal Transduction",Hemostasis,"Intracellular signaling by second messengers","Platelet homeostasis","PIP3 activates AKT signaling","Nitric oxide stimulates guanylate cyclase","PTEN Regulation","cG
MP effects","Regulation of PTEN gene transcription"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Baohuoside I","Icariside II",113558-15-9,113558159,CHEBI:82619,CHEMBL560116,Baohuoside-I,BaohuosideI,"Icarlin II","Baohuoside I;","Icarisid II;","3,5,7-Trihydroxy-4'-methoxyl-8-prenylflavone-3-O-rha
mnopyranoside","3,5,7Trihydroxy4'methoxyl8prenylflavone3Orhamnopyranoside",AMY496,SCHEMBL4229321,GTPL10686,DTXSID40150457,2h44,T3396}

> <pdid>
PD011965

> <targets>
{CXCR4}

> <classes>
{Autophagy,"GPCR/G Protein",Immunology/Inflammation}

> <pubchem_cids>
{5488822}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    6.4983   -0.7414    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -3.8971   -3.7500    0.0000 O   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -0.0012   -6.0029    0.0000 C   0  0
   -0.0035   -7.5029    0.0000 C   0  0
   -1.3038   -8.2509    0.0000 C   0  0
   -2.6016   -7.4988    0.0000 C   0  0
   -2.5992   -5.9988    0.0000 C   0  0
   -1.3092   -9.7517    0.0000 O   0  0
   -2.6105  -10.4978    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
    2.5981    1.5000    0.0000 O   0  0
    5.2029   -2.9932    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14  9  1  0
 14 15  2  0
 13 16  1  0
 12 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 20 23  1  0
 23 24  1  0
  8 25  1  0
  6 26  1  0
  2 27  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15831

> <plate>
PLATE 007

> <well>
F7

> <supplier_cmpd_name>
Icaritin

> <ctcr_id>
11482

> <supplier_cmpd_id>
T3398

> <smiles>
CC(=CCc1c(cc(c2c1oc(c(c2=O)O)c1ccc(cc1)OC)O)O)C

> <pd_targets>
{KDM1A,PDE5A}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Phosphodiesterase,"Lysine demethylase","Phosphodiesterase 5","Lysine-specific demethylase","Phosphodiesterase 5A"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cyclic nucleotide turnover/signalling","1.14.11.- Histone demethylases",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)"}

> <pathway_reactome>
{"Signal Transduction",Hemostasis,"Intracellular signaling by second messengers","Platelet homeostasis","PIP3 activates AKT signaling","Nitric oxide stimulates guanylate cyclase","PTEN Regulation","cG
MP effects","Regulation of PTEN gene transcription"}

> <broad_targets>
{PDE5A}

> <broad_moa>
{"PPAR receptor antagonist"}

> <synonyms>
{Icaritin,118525-40-9,118525409,UNII-UFE666UELY,UNIIUFE666UELY,UFE666UELY,CHEMBL498485,"3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one","3,5,7trihydroxy2(4methoxyphenyl)8(3me
thylbut2enyl)chromen4one",Icartin,Anhydroicaritin;,Icaritin(Anhydroicaritin),MLS006010055,BIDD:ER0021,SCHEMBL4223542,SGN162,>,T3398}

> <pdid>
PD040280

> <targets>
{JAK2,STAT3,Apoptosis,Autophagy}

> <classes>
{Angiogenesis,JAK/STAT signaling,Chromatin/Epigenetic,Stem Cells,Apoptosis,Autophagy}

> <pubchem_cids>
{5318980}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -11.6963   -0.7681    0.0000 O   0  0
  -13.0003    1.4796    0.0000 N   0  0
  -14.2989    0.7273    0.0000 C   0  0
  -14.2938   -0.7728    0.0000 C   0  0
  -15.5902   -1.5272    0.0000 C   0  0
  -16.8919   -0.7817    0.0000 C   0  0
  -16.8971    0.7183    0.0000 C   0  0
  -15.6006    1.4727    0.0000 C   0  0
  -15.6059    2.9727    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15832

> <plate>
PLATE 007

> <well>
F8

> <supplier_cmpd_name>
RG2833

> <ctcr_id>
93

> <supplier_cmpd_id>
T6639

> <smiles>
Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc2ccccc2N

> <pd_targets>
{HDAC3,HDAC1,HDAC2,NCOR2,HDAC8}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle","Disorders of Developmental Biology","RNA Polymerase II Transcription",Mitotic,"Disorders of Nervous System Development","Generic Transcription 
Pathway","M Phase","Pervasive developmental disorders","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity",
"Mitotic Anaphase","Loss of MECP2 binding ability to the NCoR/SMRT complex","Loss of MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through Acetylation","Separation of Sister Chromatid
s"}

> <broad_targets>
{HDAC1,HDAC3}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{RG2833,1215493-56-3,1215493563,RG-2833,"RGFP 109",RGFP109,"RG2833 (RGFP109)",N-(6-((2-Aminophenyl)amino)-6-oxohexyl)-4-methylbenzamide,N(6((2Aminophenyl)amino)6oxohexyl)4methylbenzamide,UNII-17V14R89
EU,UNII17V14R89EU,RGFP-109,N-(6-(2-Aminophenylamino)-6-oxohexyl)-4-methylbenzamide,N(6(2Aminophenylamino)6oxohexyl)4methylbenzamide,17V14R89EU,N-(6-(2-aminoanilino,N(6(2aminoanilino,T6639,S7292,RG2833
(RGF109)}

> <pdid>
PD010362

> <targets>
{HDAC}

> <classes>
{Epigenetics}

> <pubchem_cids>
{56654642}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 N   0  0
    1.2960    5.2539    0.0000 C   0  0
    2.5925    6.0085    0.0000 C   0  0
    2.5873    7.5085    0.0000 C   0  0
    1.2856    8.2540    0.0000 N   0  0
   -0.0108    7.4995    0.0000 C   0  0
   -0.0056    5.9995    0.0000 C   0  0
    1.2773    9.7548    0.0000 C   0  0
   -0.0254   10.4985    0.0000 C   0  0
    2.5724   10.5116    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.8244   -8.3594    0.0000 C   0  0
   -3.3609   -9.7860    0.0000 C   0  0
   -1.8609   -9.7860    0.0000 C   0  0
   -1.3973   -8.3594    0.0000 C   0  0
   -3.8978    3.7504    0.0000 C   0  0
   -3.9003    5.2504    0.0000 C   0  0
   -5.2005    5.9983    0.0000 C   0  0
   -6.4984    5.2463    0.0000 C   0  0
   -6.4960    3.7463    0.0000 C   0  0
   -5.1957    2.9983    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20  5  1  0
 20 21  1  0
 21 22  2  0
 22  3  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 27  1  0
 18 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 32  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15833

> <plate>
PLATE 007

> <well>
F9

> <supplier_cmpd_name>
UNC0638

> <ctcr_id>
5340

> <supplier_cmpd_id>
T3257

> <smiles>
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN4CCCC4)C5CCCCC5

> <pd_targets>
{EHMT1,EHMT2,DNMT1,SPIN1}

> <pathway_gtopdb>
{"Epigenetic regulator","Unclassified protein",Writer,"Protein methyltransferase","DNA methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.- Methyltransferases","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins","RNA Polymerase II Transcription","Post-translational protein modification","Generic Transcription Pathway",SUMOylation,"Transcriptional Reg
ulation by TP53","SUMO E3 ligases SUMOylate target proteins","Regulation of TP53 Activity","SUMOylation of DNA methylation proteins","Regulation of TP53 Activity through Methylation"}

> <broad_targets>
{EHMT1,EHMT2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{UNC0638,1255580-76-7,1255580767,UNC-0638,"UNC 0638",UNII-26A103L2FO,UNII26A103L2FO,1255517-77-1,1255517771,CHEMBL1231795,26A103L2FO,cc-643,cc643,MLS006010242,GTPL7015,SCHEMBL14844528,CHEBI:95074,AOB1
616,DTXSID30154787,C30H47N5O2,HMS3426M09,HMS3743O07,BCP06142,EX-A2205,EXA2205,4142AH,BDBM50353128,N,T3257,4343,S8071}

> <pdid>
PD000003

> <targets>
{Histone Methyltransferase,Autophagy,Influenza Virus}

> <classes>
{Anti-infection,Autophagy,Epigenetics}

> <pubchem_cids>
{46224516}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    5.2311   -3.4009    0.0000 C   0  0
    3.8056   -3.8679    0.0000 C   0  0
    3.3372   -5.2929    0.0000 N   0  0
    1.8372   -5.2877    0.0000 N   0  0
    1.3786   -3.8595    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0031    0.0000 C   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -2.5998    3.0004    0.0000 F   0  0
   -3.8976    0.7500    0.0000 F   0  0
   -3.8982    2.2498    0.0000 F   0  0
    0.9523   -6.4967    0.0000 C   0  0
   -0.5389   -6.3343    0.0000 C   0  0
    0.0659   -7.7068    0.0000 C   0  0
    1.5571   -7.8703    0.0000 C   0  0
    2.1616   -9.2431    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 12 14  1  0
 14 15  1  0
 11 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
  4 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
 23 24  3  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15834

> <plate>
PLATE 007

> <well>
F10

> <supplier_cmpd_name>
GNE-0877

> <ctcr_id>
11483

> <supplier_cmpd_id>
T6031

> <smiles>
Cc1nn(cc1Nc1ncc(c(n1)NC)C(F)(F)F)C(C)(C)C#N

> <pd_targets>
{LRRK2,TTK,CYP1A2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 1","TKL protein kinase group","Other protein kinase group","Cytochrome P450 family 1A","TKL protein kinase LRRK family","Other
 protein kinase TTK family","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Cytochrome P450","Receptor kinases","CYP1 family","TKL: Tyrosine kinase-like","Other protein kinases","Leucine-rich repeat kinase (LRRK) family","TTK family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Signaling by Non-Receptor Tyrosine Kinases","Biological oxidations","Signaling by PTK6","Phase I - Functionalization of compounds","PTK6 promotes HIF1A stabilization
","Cytochrome P450 - arranged by substrate type",Xenobiotics,"Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NE087,GNE-0877,GNE0877,1374828-69-9,1374828699,UNII-ANGHS285FG,UNIIANGHS285FG,ANGHS285FG,CHEMBL3122113,GTPL9393,SCHEMBL4561063,C14H16F3N7,HMS3653E18,AMY16361,AOB87141,BCP09654,EX-A2062,EXA2062,"GNE 0
877",2434AH,BDBM50448118,MFCD28098661,s7367,AKOS027250747,ZINC103260600,CCG-267909,CCG267909,SB17,T6031}

> <pdid>
PD010334

> <targets>
{LRRK2}

> <classes>
{Autophagy}

> <pubchem_cids>
{69093374}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
    1.3104    6.7221    0.0000 C   0  0
   -1.3222    6.7181    0.0000 N   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
   -2.5933   -6.0050    0.0000 Cl  0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -2.5981   -3.0050    0.0000 Cl  0  0
    5.0987    0.3536    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 12  5  1  0
  4 13  2  0
 13 14  1  0
 14 15  2  0
 15  2  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 16  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15835

> <plate>
PLATE 007

> <well>
F11

> <supplier_cmpd_name>
SHP099 hydrochloride

> <ctcr_id>
11484

> <supplier_cmpd_id>
T3544

> <smiles>
Nc1nc(N2CCC(C)(N)CC2)cnc1c1cccc(Cl)c1Cl.Cl

> <pd_targets>
{PTPN11}

> <pathway_gtopdb>
{Enzyme,Phosphatase,"Protein Phosphatase","Tyrosine protein phosphatase"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Immune System","Innate Immune System","Toll-like Receptor Cascades","Toll Like Receptor 4 (TLR4) Cascade","MyD88-independent TLR4 cascade","TRIF(TICAM1)-mediated TLR4 signaling","Activation of IRF3/
IRF7 mediated by TBK1/IKK epsilon"}

> <broad_targets>
{PTPN11}

> <broad_moa>
{"protein tyrosine kinase inhibitor"}

> <synonyms>
{"SHP099 hydrochloride",1801747-11-4,1801747114,"SHP099 (hydrochloride)","SHP099 HCl","1801747-11-4 (HCl)","1801747114 (HCl)","SHP-099 hydrochloride",BCP18365,EX-A2413,EXA2413,AKOS030632792,CCG-268507
,CCG268507,CS-5685,CS5685,HY-100388A,HY100388A,AK547569,AS-74543,AS74543,DB-107840,DB107840,F10183,2200214-93-1,2200214931,T3544}

> <pdid>
PD053838

> <targets>
{SHP-2}

> <classes>
{Others}

> <pubchem_cids>
{121241170}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 30  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0
    2.6108    5.9949    0.0000 C   0  0
    2.6160    7.4949    0.0000 O   0  0
    3.9072    5.2405    0.0000 C   0  0
    3.9020    3.7405    0.0000 C   0  0
    5.1976    2.9829    0.0000 C   0  0
    5.1903    1.4821    0.0000 C   0  0
    6.4859    0.7245    0.0000 C   0  0
    6.4808   -0.7755    0.0000 C   0  0
    7.7772   -1.5300    0.0000 C   0  0
    9.0789   -0.7845    0.0000 C   0  0
   10.3753   -1.5390    0.0000 O   0  0
    9.0841    0.7155    0.0000 C   0  0
    7.7877    1.4700    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
 12 22  2  0
 22  7  1  0
  5 23  1  0
 23 24  1  1
 23 25  1  0
 25 26  1  6
 25 27  1  0
 27  3  1  0
 27 28  1  1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15836

> <plate>
PLATE 007

> <well>
G2

> <supplier_cmpd_name>
Polydatin

> <ctcr_id>
5940

> <supplier_cmpd_id>
T3427

> <smiles>
OC[C@H]1O[C@@H](Oc2cc(O)cc(\C=C\c3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O

> <pd_targets>
{MAPT,KDM4E,MAPK1,AKR1B1,PRKCZ,GAA,POLB}

> <pathway_gtopdb>
{"Other cytosolic protein","Epigenetic regulator",Enzyme,Eraser,Kinase,Oxidoreductase,Hydrolase,"Lysine demethylase","Protein Kinase","Jumonji domain-containing","CMGC protein kinase group","AGC prote
in kinase group","CMGC protein kinase MAPK family","AGC protein kinase PKC family","CMGC protein kinase ERK1","AGC protein kinase PKC iota subfamily"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","1.-.-.- Oxidoreductases","3.2.1.- Glycosidases","1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Co
ntaining PKA",PKG,"PKC families","Mitogen-activated protein kinases (MAP kinases)","Protein kinase C (PKC) family","ERK subfamily","Iota subfamily"}

> <pathway_reactome>
{"Neuronal System","Immune System",Metabolism,"Signal Transduction",Disease,"DNA Repair","Transmission across Chemical Synapses","Innate Immune System","Metabolism of lipids","Signaling by Nuclear Rec
eptors","Diseases of metabolism","Base Excision Repair","Neurotransmitter receptors and postsynaptic signal transmission","Toll-like Receptor Cascades","Metabolism of steroids","ESR-mediated signaling
","Diseases of carbohydrate metabolism","Resolution of Abasic Sites (AP sites)","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR5) Cascade","Metabolism of steroid horm
ones","Extra-nuclear estrogen signaling","Glycogen storage diseases","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Post NMDA receptor activation events","MyD88 cascad
e initiated on plasma membrane","Pregnenolone biosynthesis","Estrogen-stimulated signaling through PRKCZ","Glycogen storage disease type II (GAA)","PCNA-Dependent Long Patch Base Excision Repair","Act
ivation of AMPK downstream of NMDARs","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ICAM1}

> <broad_moa>
{"ICAM1 expression inhibitor"}

> <synonyms>
{Polydatin,Piceid,65914-17-2,65914172,"65914 17 2",Trans-Piceid,TransPiceid,"Trans Piceid",27208-80-6,27208806,"27208 80 6","3,4,5-Trihydroxystilbene-3-beta-monoglucoside","3,4,5Trihydroxystilbene3bet
amonoglucoside",3,4,"5 Trihydroxystilbene 3 beta",S2391,SAM001246720,Quercetin(Sophoretin),CPD000466371}

> <pdid>
PD001688

> <targets>
{"PI3K / PKC / Src-bcr-Abl",Apoptosis,Autophagy,Mitophagy}

> <classes>
{Apoptosis,Autophagy}

> <pubchem_cids>
{5281718}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    6.3990    0.0003    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 N   0  3
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 C   0  0
   -7.7942    3.0000    0.0000 C   0  0
   -9.2200    3.4635    0.0000 O   0  0
  -10.1017    2.2499    0.0000 C   0  0
   -9.2200    1.0364    0.0000 O   0  0
   -7.7942    1.5000    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  7  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 18  2  0
 22 23  1  0
 23 24  2  0
 24 12  1  0
 24 16  1  0
  8 25  2  0
 25  4  1  0
 25 26  1  0
 26 27  1  0
M  CHG  2   1  -1  10   1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15837

> <plate>
PLATE 007

> <well>
G3

> <supplier_cmpd_name>
Chelerythrine chloride

> <ctcr_id>
551

> <supplier_cmpd_id>
T3419

> <smiles>
[Cl-].COc1ccc2c(c[n+](C)c3c2ccc4cc5OCOc5cc34)c1OC

> <pd_targets>
{PPARG,ACHE,RORC,FFP,CYP2C9,CYP1A2,P2RX7,CYP2C19,HIF1A,ALDH1A1,KMT2A,MEN1,CYP3A4,NFKB1,HSD17B10,MAPT,ALD,HPGD,MAOA,ATP2A1,PRKACA,PRKACB,PRKACG,PRKAR1A,PRKAR1B,PRKAR2A,PRKAR2B,TP53,BCL2L1,THRB,PRKCE,AL
OX15,LEF,TSHR,THPO,CHRM1,ALOX12,CYP2D6,PRKCA,BCHE,MAPK1,USP2,BLM,RAC1,BAD,LMNA,POLB,PMP22,GMNN,NPSR1,MTOR}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Ion channel","Epigenetic regulator","Other cytosolic protein",Transporter,"Membrane receptor","Unclassified protein","Other nuclear protein","Nuclear receptor",Hydrolas
e,Transferase,"Cytochrome P450","Ligand-gated ion channel",Oxidoreductase,Reader,"Primary active transporter","Other ion channel",Kinase,Protease,"Family A G protein-coupled receptor","Nuclear hormone
 receptor subfamily 1","Cytochrome P450 family 2","Cytochrome P450 family 1","P2X receptor",Bromodomain,"Cytochrome P450 family 3","P-type ATPase","Miscellaneous ion channel","Protein Kinase","Metallo
 protease","Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Cysteine protease","Nuclear hormone receptor subfamily 1 group C","Nuclear hormone receptor subfamily 1 group F
","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Calcium ATPase","Bcl-2 family","Nuclear hormone receptor subfamily 1 group A","AGC protein kinase group","Metallo
 protease MAE clan","Glycohormone receptor","Monoamine receptor","Cytochrome P450 family 2D","CMGC protein kinase group","Cysteine protease CA clan","Short peptide receptor (family A GPCR)","Atypical 
protein kinase group","Nuclear hormone receptor subfamily 1 group C member 3","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C9","Cytochrome P450 1A1","Cytochrome P450 2C19"
,"Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group A member 2","AGC protein kinase PKC family","Metallo protease M34 family","Acetylcholine receptor","Cytochrome P450 2D6","CMGC protei
n kinase MAPK family","Cysteine protease C19 family","Cysteine protease C1A family","Neuropeptide receptor","Atypical protein kinase PIKK family","AGC protein kinase PKC eta subfamily","AGC protein ki
nase PKC alpha subfamily","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"Other protein targets","Nuclear hormone receptors","Acetylcholine turnover","Cytochrome P450","Ligand-gated ion channels","Eicosanoid turnover","Catecho
lamine turnover","P-type ATPases","Kinases (EC 2.7.x.x)","B-cell lymphoma 2 (Bcl-2) protein family","G protein-coupled receptors","Peptidases and proteinases","Chromatin modifying enzymes","1C. Peroxi
some proliferator-activated receptors","1F. Retinoic acid-related orphans","CYP2 family: drug metabolising subset","CYP1 family","P2X receptors","CYP3 family","Prostaglandin synthases","P2A P-type ATP
ases: Ca<sup>2+</sup>-ATPases","AGC: Containing PKA",PKG,"PKC families","1A. Thyroid hormone receptors",Lipoxygenases,"Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","CMGC: Con
taining CDK",MAPK,GSK3,"CLK families","CA: Cysteine (C) Peptidases","2.1.1.43 Histone methyltransferases (HMTs)","Neuropeptide S receptor",Atypical,"Protein kinase A (PKA) family","Protein kinase C (P
KC) family","Mitogen-activated protein kinases (MAP kinases)","C19: Ubiquitin-specific protease","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Eta subfamily","Delta subfamily","ERK 
subfamily","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,Disease,"Cellular responses to external stimuli","Immune System","Neuronal System",Hemostasis,"Cell Cycle","Metabolism of proteins","Signal Transduction",
"DNA Repair","Developmental Biology","Programmed Cell Death","RNA Polymerase II Transcription","Metabolism of lipids","Biological oxidations","Infectious disease","Cellular responses to stress","Cytok
ine Signaling in Immune system","Metabolism of amino acids and derivatives","Transmission across Chemical Synapses","Platelet homeostasis","Cell Cycle Checkpoints","Diseases of signal transduction by 
growth factor receptors and second messengers","Post-translational protein modification","Innate Immune System","Platelet activation","signaling and aggregation","Signaling by GPCR","DNA Double-Strand
 Break Repair","Nervous system development",Apoptosis,Mitotic,"Base Excision Repair","Generic Transcription Pathway","Phospholipid metabolism","Phase I - Functionalization of compounds","Leishmania in
fection","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by Interleukins","Branched-chain amino acid catabolism","Neurotransmitter receptors and p
ostsynaptic signal transmission","Platelet calcium homeostasis","G1/S DNA Damage Checkpoints","FLT3 signaling in disease",SUMOylation,"Fcgamma receptor (FCGR) dependent phagocytosis","Uptake and actio
ns of bacterial toxins","Platelet Aggregation (Plug Formation)","GPCR ligand binding","GPCR downstream signalling","Toll-like Receptor Cascades","Homology Directed Repair","Axon guidance","Intrinsic P
athway for Apoptosis","M Phase","Resolution of Abasic Sites (AP sites)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Mitotic G1 phase and G1/S transition","Transcriptional Regulat
ion by MECP2","Glycerophospholipid biosynthesis","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged by substrate type","Cell recruitment (pro-inflammatory response)","Oxygen-dependent p
roline hydroxylation of Hypoxia-inducible Factor Alpha","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Interleukin-1 family signaling","Activation of NMDA receptors and postsynaptic events","
Amine Oxidase reactions","Reduction of cytosolic Ca++ levels","p53-Dependent G1/S DNA damage checkpoint","Signaling by FLT3 ITD and TKD mutants","SUMO E3 ligases SUMOylate target proteins","Role of ph
ospholipids in phagocytosis","Biosynthesis of DPA-derived SPMs","Uptake and function of anthrax toxins","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","G alpha (i) si
gnalling events","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX1","HDR through Homologous Recombination (HRR) or Single Strand Annealing
 (SSA)","Semaphorin interactions","Activation of BH3-only proteins","Mitotic Metaphase and Anaphase","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","G1/S Transition","M
ECP2 regulates transcription factors","Synthesis of PC","RUNX3 Regulates Immune Response and Cell Migration",Xenobiotics,"Purinergic signaling in leishmaniasis infection","Biosynthesis of maresins","I
nterleukin-1 signaling","Post NMDA receptor activation events","Biosynthesis of D-series resolvins","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","p53-Dependent G1 DNA Dam
age Response","STAT5 activation downstream of FLT3 ITD mutants","SUMOylation of intracellular receptors","Biosynthesis of DPAn-3 SPMs","Anti-inflammatory response favouring Leishmania parasite infecti
on","Amine ligand-binding receptors","Visual phototransduction","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity","RUNX1 regulates genes involved in megakaryocyte differentiat
ion and platelet function","HDR through Homologous Recombination (HRR)","Sema4D in semaphorin signaling","Activation of BAD and translocation to mitochondria","Mitotic Anaphase","PCNA-Dependent Long P
atch Base Excision Repair","Activation of the pre-replicative complex","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","MAP3K8
 (TPL2)-dependent MAPK1/3 activation","Activation of AMPK downstream of NMDARs","Stabilization of p53","Biosynthesis of DPAn-3-derived protectins and resolvins","ADORA2B mediated anti-inflammatory cyt
okines production","Muscarinic acetylcholine receptors","Biosynthesis of DPAn-3-derived maresins","The phototransduction cascade","MAP kinase activation","Regulation of TP53 Expression and Degradation
","Homologous DNA Pairing and Strand Exchange","Sema4D mediated inhibition of cell attachment and migration","Nuclear Envelope (NE) Reassembly","Autodegradation of the E3 ubiquitin ligase COP1",Inacti
vation,"recovery and regulation of the phototransduction cascade","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Presynaptic phase of homologous DNA pairing a
nd strand exchange","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Chelerythrine hydrochloride","Chelerythrine chloride",3895-92-9,3895929,UNII-7IC98TZ0PZ,UNII7IC98TZ0PZ,"Chelerythrine (chloride)",7IC98TZ0PZ,CHEMBL258893,Chelerythrinechloride,1,2-dimethoxy-12-methy
l(1,2dimethoxy12methyl(1,3)benzodioxolo(5,6-c)phenanthridiniumchlorid,6c)phenanthridiniumchlorid,T3419,T6S0052,"EMD 220285",Chelerythrine,220285}

> <pdid>
PD038954

> <targets>
{Apoptosis,Autophagy,Bcl-2 Family,PKC}

> <classes>
{Apoptosis,Autophagy,Epigenetics,TGF-beta/Smad}

> <pubchem_cids>
{72311}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 34 38  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0  1  0  0  0
   -5.1961   -1.5000    0.0000 C   0  0  1  0  0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -7.7942   -1.5000    0.0000 C   0  0
   -7.7942   -3.0000    0.0000 C   0  0  2  0  0  0
   -6.4952   -3.7500    0.0000 C   0  0  2  0  0  0
   -6.4952   -5.2500    0.0000 C   0  0
   -7.7942   -6.0000    0.0000 C   0  0  2  0  0  0
   -9.0932   -5.2501    0.0000 C   0  0  1  0  0  0
   -9.0933   -3.7501    0.0000 C   0  0
   -9.0579   -2.2505    0.0000 C   0  0
  -10.3743   -4.5304    0.0000 C   0  0
  -10.3923   -6.0001    0.0000 O   0  0
   -7.7942   -7.5000    0.0000 O   0  0
   -5.1961   -4.5000    0.0000 C   0  0
   -5.1962   -0.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 C   0  0
   -4.7631   -0.2500    0.0000 C   0  0
   -2.5988   -0.0004    0.0000 C   0  0
   -3.4651    0.4990    0.0000 O   0  0
   -2.5985   -1.0004    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 12 11  1  6
 12 13  1  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 16 15  1  6
 16 17  1  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 21 22  1  0
 21 23  1  0
 20 24  1  6
 19 25  1  1
 17 26  1  6
 13 27  1  6
 28  9  1  1
 28  5  1  0
 28 29  1  0
 29  2  1  0
 29 30  1  6
  8 31  1  1
  5 32  1  6
 32 33  2  0
 32 34  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15838

> <plate>
PLATE 007

> <well>
G4

> <supplier_cmpd_name>
Corosolic acid

> <ctcr_id>
11485

> <supplier_cmpd_id>
T3391

> <smiles>
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]3[C@@]4(C[C@H]([C@@H](C3(C)C)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O

> <pd_targets>
{PYGM,PTPN1,RORC,PTPN6,PTPN2,SKA,HTT,AMY2,POLB,HSD11B1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein",Transferase,Phosphatase,"Nuclear receptor",Kinase,Hydrolase,Oxidoreductase,"Protein Phosphatase","Nuclear hormone receptor subfamily 1","Tyrosine 
protein phosphatase","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,Phosphatases,"Nuclear hormone receptors","3.2.1.- Glycosidases","1.-.-.- Oxidoreductases","Protein tyrosine phosphatases non-receptor type (PTPN)","1F. Retinoic acid-related orphans
"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Immune System","Digestion and absorption","DNA Repair","Metabolism of carbohydrates","RNA Polymerase II Transcription","Cytokine Signaling in Immune syst
em",Digestion,"Base Excision Repair","Metabolism of lipids","Glycogen metabolism","Generic Transcription Pathway","Interferon Signaling","Digestion of dietary carbohydrate","Resolution of Abasic Sites
 (AP sites)","Metabolism of steroids","Glycogen breakdown (glycogenolysis)","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","Interferon alpha/beta signaling","Interferon ga
mma signaling","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Metabolism of steroid hormones","MECP2 regulates neuronal receptors and channels","RUNX3 Regulates Immune
 Response and Cell Migration","Regulation of IFNA signaling","Regulation of IFNG signaling","Regulation of MECP2 expression and activity","PCNA-Dependent Long Patch Base Excision Repair","Glucocortico
id biosynthesis"}

> <broad_targets>
{HSD11B1,PTPN1}

> <broad_moa>
{"PKC inhibitor","protein tyrosine kinase inhibitor"}

> <synonyms>
{"Corosolic acid",4547-24-4,4547244,Glucosol,Corosolic-acid,Corosolicacid,"Corsolic acid","2alpha-Hydroxyursolic acid","2alphaHydroxyursolic acid","2-alpha-Hydroxyursolic acid",UNII-AMX2I57A98,UNIIAMX
2I57A98,"Colosolic acid",AMX2I57A98,CHEMBL391533,CHEBI:67895,"Colosic acid",(2alpha,3beta)-2,3beta)2,3-Dihydrox,3Dihydrox,T3391}

> <pdid>
PD052380

> <targets>
{FAK}

> <classes>
{Angiogenesis,"Cytoskeletal Signaling"}

> <pubchem_cids>
{6918774}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 22  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    7.7858   -7.5171    0.0000 O   0  0
    6.4833   -9.7656    0.0000 N   0  0
    7.7808  -10.5183    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8983    0.7459    0.0000 C   0  0
   -2.6030    2.9977    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  2  3
  4  5  1  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
  2 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 20 22  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15839

> <plate>
PLATE 007

> <well>
G5

> <supplier_cmpd_name>
Trichostatin A

> <ctcr_id>
4534

> <supplier_cmpd_id>
T6270

> <smiles>
C[C@H](C=C(C)C=CC(=O)NO)C(=O)c1ccc(cc1)N(C)C

> <pd_targets>
{MAPT,HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9,HDA106,F3,HDAH,FTL,SIRT6,NCOR2,SMN1,HD1B,ALDH1A1,SF3B3,NCOR1}

> <pathway_gtopdb>
{"Other cytosolic protein","Epigenetic regulator",Enzyme,"Membrane receptor","Unclassified protein","Other nuclear protein",Eraser,Hydrolase,Reader,Oxidoreductase,"Histone deacetylase","Methyl-lysine/
arginine binding protein","HDAC class I","HDAC class IIb","HDAC class IIa","HDAC class IV","HDAC class III","Tudor domain"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Neuronal System",Disease,"Signal Transduction","Gene expression (Transcription)","Vesicle-mediated transport","Cell Cycle","DNA Repair","Metabolism of RNA",Metabolism,"Transmission across Chemical S
ynapses","Disorders of Developmental Biology","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcripti
on","Membrane Trafficking",Mitotic,"DNA Double-Strand Break Repair","Metabolism of non-coding RNA","Biological oxidations","Processing of Capped Intron-Containing Pre-mRNA","Neurotransmitter receptors
 and postsynaptic signal transmission","Disorders of Nervous System Development","Signaling by NTRKs","Signaling by NOTCH1 in Cancer","Generic Transcription Pathway","trans-Golgi Network Vesicle Buddi
ng","M Phase","Homology Directed Repair","snRNP Assembly","Phase I - Functionalization of compounds","mRNA Splicing","Activation of NMDA receptors and postsynaptic events","Pervasive developmental dis
orders","Signaling by NTRK1 (TRKA)","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Transcriptional regulation by RUNX2","Golgi Associated Vesicle Biogenesis","Mitotic Metaphase and Anaphase",
"Transcriptional Regulation by TP53","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Ethanol oxidation","mRNA Splicing - Major Pathway","Post NMDA receptor activation ev
ents","Loss of function of MECP2 in Rett syndrome","Nuclear Events (kinase and transcription factor activation)","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","RUNX2 regulates bone develop
ment","Mitotic Anaphase","Regulation of TP53 Activity","Processing of DNA double-strand break ends","Activation of AMPK downstream of NMDARs","Loss of MECP2 binding ability to 5mC-DNA","NGF-stimulated
 transcription","Loss of MECP2 binding ability to the NCoR/SMRT complex","RUNX2 regulates osteoblast differentiation","RUNX2 regulates chondrocyte maturation","Separation of Sister Chromatids","Regula
tion of TP53 Activity through Acetylation"}

> <broad_targets>
{HDAC1,HDAC10,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{MolMap_000049,MolMap000049,MolMap-000049,"MolMap 000049",CBiol_001921,CBiol001921,CBiol-001921,"CBiol 001921",KBioGR_000528,KBioGR000528,KBioGR-000528,"KBioGR 000528",KBioSS_000528,KBioSS000528,KBioS
S-000528,"KBioSS 000528",KBio2_000528,KBio2000528,KBio2-000528,"KBio2 000528",KBio2_003096,KBio2003096,KBio2-003096,"KBio2 003096",KBio2_005664,KBio2005664,KBio2-005664,"KBio2 005664",KBio3_000955,KBi
o3000955,KBio3-000955,"KBio3 000955",KBio3_000956,KBio3000956,KBio3-000956,"KBio3 000956",Bio1_000207,Bio1000207,Bio1-000207,"Bio1 000207",Bio1_000696,Bio1000696,Bio1-000696,"Bio1 000696",Bio1_001185,
Bio1001185,Bio1-001185,"Bio1 001185",Bio2_000434,Bio2000434,Bio2-000434,"Bio2 000434",Bio2_000914,Bio2000914,Bio2-000914,"Bio2 000914",SMP1_000303,SMP1000303,SMP1-000303,"SMP1 000303",NCGC00162453-10,
NCGC0016245310,Q27164914,T6270,"Trichostatin A","TRICHOSTATIN A"}

> <pdid>
PD006326

> <targets>
{"HDAC Inhibitors"}

> <classes>
{}

> <pubchem_cids>
{105115}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 40 43  0  0  1  0            999 V2000
   -3.8109  -11.3760    0.0000 C   0  0
   -2.3446  -11.6924    0.0000 C   0  0
   -1.8859  -13.1205    0.0000 O   0  0
   -1.3373  -10.5798    0.0000 O   0  0
   -1.7962   -9.1509    0.0000 C   0  0
   -2.8035  -10.2623    0.0000 C   0  0
   -3.2625   -8.8345    0.0000 C   0  0
   -0.7889   -8.0383    0.0000 C   0  0
   -1.2479   -6.6094    0.0000 C   0  0
   -0.2405   -5.4968    0.0000 C   0  0
    1.2257   -5.8132    0.0000 O   0  0
   -0.6995   -4.0679    0.0000 C   0  0  2  0  0  0
   -2.1657   -3.7515    0.0000 C   0  0
    0.7668   -4.3843    0.0000 O   0  0
    0.3061   -2.9572    0.0000 C   0  0  1  0  0  0
    1.7979   -3.1140    0.0000 C   0  0  2  0  0  0
    2.5479   -4.4130    0.0000 O   0  0
    2.4080   -1.7436    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    2.6686   -0.1382    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2991    5.2500    0.0000 C   0  0  2  0  0  0
   -2.5981    6.0000    0.0000 O   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
    1.2990    5.2500    0.0000 C   0  0
    2.5800    4.4696    0.0000 C   0  0
    1.2638    6.7496    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2146   -2.3802    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 12 14  1  6
 15 12  1  6
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  0
 19 20  1  1
 19 21  1  0
 21 22  1  1
 22 23  1  0
 23 24  2  3
 24 25  1  0
 25 26  1  6
 26 27  1  0
 27 28  1  6
 27 29  1  0
 29 30  2  0
 29 31  1  0
 31 24  1  0
 31 32  1  0
 31 33  1  0
 25 34  1  0
 34 21  1  0
 34 35  1  6
 34 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 15  1  0
 39 19  1  0
 39 40  1  6
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15840

> <plate>
PLATE 007

> <well>
G6

> <supplier_cmpd_name>
Cucurbitacin B

> <ctcr_id>
5521

> <supplier_cmpd_id>
T3404

> <smiles>
CC(=O)OC(C)(C)\C=C\C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Cucurbitacin B",6199-67-3,6199673,"Datisca principle B","Datiscn Principle B","1,2-Dihydro-alpha-elaterin","1,2Dihydroalphaelaterin",UNII-0115W5MABF,UNII0115W5MABF,0115W5MABF,CHEBI:3941,"CUCURBITACI
N R - DATISCA PRINCIPLE B","CUCURBITACIN R  DATISCA PRINCIPLE B",NSC49451,Cucurbitacin-B,CucurbitacinB,"Cucurbitacin B hydrate","Cucurbitacine (B)","NSC 49451","CUCURBITACIN B"}

> <pdid>
PD011564

> <targets>
{Apoptosis,Autophagy,Endogenous Metabolite,Integrin}

> <classes>
{Apoptosis,Autophagy,Cytoskeleton,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5281316}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 40 42  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.2940   -3.7521    0.0000 C   0  0
    0.0063   -4.4998    0.0000 N   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -5.1937   -3.0093    0.0000 O   0  0
   -3.8912   -5.2578    0.0000 N   0  0
   -5.1894   -6.0109    0.0000 C   0  0
   -5.3272   -7.4918    0.0000 N   0  0
   -6.7944   -7.8036    0.0000 N   0  0
   -7.5445   -6.5046    0.0000 C   0  0
   -6.5408   -5.3899    0.0000 S   0  0
   -9.0345   -6.3480    0.0000 C   0  0
   -9.9169   -7.5610    0.0000 F   0  0
   -9.6442   -4.9775    0.0000 F   0  0
  -10.5262   -6.1905    0.0000 F   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8933    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    6.4914    5.2571    0.0000 C   0  0
    6.4915    3.7571    0.0000 C   0  0
    5.1925    3.0071    0.0000 C   0  0
    7.7912    6.0076    0.0000 C   0  0
    7.7921    7.5076    0.0000 F   0  0
    9.0900    5.2572    0.0000 F   0  0
    9.0905    6.7570    0.0000 F   0  0
    2.5936    6.0075    0.0000 C   0  0
    1.2941    5.2583    0.0000 F   0  0
    2.5941    7.5075    0.0000 F   0  0
    1.2949    6.7581    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 16  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
  4 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 30 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
 28 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15841

> <plate>
PLATE 007

> <well>
G7

> <supplier_cmpd_name>
XCT790

> <ctcr_id>
11486

> <supplier_cmpd_id>
T0593

> <smiles>
COc1c(ccc(c1)/C=C(\C#N)/C(=O)Nc1nnc(s1)C(F)(F)F)OCc1c(cc(cc1)C(F)(F)F)C(F)(F)F

> <pd_targets>
{ESRRA,USP2,FFP}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Nuclear receptor",Protease,Transferase,"Nuclear hormone receptor subfamily 3","Cysteine protease","Nuclear hormone receptor subfamily 3 group B","Cysteine protease CA c
lan","Nuclear hormone receptor subfamily 3 group B member 1","Cysteine protease C19 family"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Peptidases and proteinases","3B. Estrogen-related receptors","CA: Cysteine (C) Peptidases","C19: Ubiquitin-specific protease"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX2","Transcriptional Regulation by TP53","Regulation of RUNX2 exp
ression and activity","Regulation of TP53 Activity","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{725247-18-7,725247187,"XCT 790",XCT-790,CHEMBL189753,CHEBI:79999,MFCD08277031,796844-24-1,796844241,GTPL2832,C23H13F9N4O3S,DTXSID40426088,HMS3263N08,AMY40919,BCP08393,EX-A1708,EXA1708,Tox21_501263,To
x21501263,Tox21-501263,"Tox21 501263",BDBM50155833,FD5021,ZINC14191684,AKOS024457878,CCG-222567,CCG222567,LP01263,SDCCGS,T0593,XCT790}

> <pdid>
PD002627

> <targets>
{ERR¦Á}

> <classes>
{Endocrinology/Hormones}

> <pubchem_cids>
{6918788}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 34  0  0  0  0            999 V2000
    4.0551   -4.4171    0.0000 F   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8073   -5.7196    0.0000 F   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1743   -3.8808    0.0000 N   0  0
   -3.0913   -5.0679    0.0000 C   0  0
   -2.5218   -6.4556    0.0000 N   0  0
   -1.0353   -6.6562    0.0000 C   0  0
   -0.1183   -5.4691    0.0000 N   0  0
   -0.4655   -8.0446    0.0000 N   0  0
   -1.3806   -9.2332    0.0000 C   0  0
   -0.8088  -10.6200    0.0000 C   0  0
    0.6780  -10.8182    0.0000 O   0  0
    1.5931   -9.6297    0.0000 C   0  0
    1.0214   -8.2429    0.0000 C   0  0
   -4.5786   -4.8672    0.0000 N   0  0
   -5.1504   -3.4804    0.0000 C   0  0
   -6.6373   -3.2821    0.0000 C   0  0
   -7.5524   -4.4706    0.0000 O   0  0
   -6.9807   -5.8574    0.0000 C   0  0
   -5.4938   -6.0557    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12  4  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 15 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15842

> <plate>
PLATE 007

> <well>
G8

> <supplier_cmpd_name>
ZSTK474

> <ctcr_id>
2959

> <supplier_cmpd_id>
T6168

> <smiles>
FC(F)c1nc2ccccc2n1c3nc(nc(n3)N4CCOCC4)N5CCOCC5

> <pd_targets>
{PIK3CB,PIK3CG,PIK3CA,PIK3C2B,PIK3CD,PIK3R1,MTOR}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidylinositol-4-phosphate 3-kinase family","Phosphatidyl inositol 3' 
kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,Disease,"Gene expression (Transcription)","Immune System","Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","Diseases of signal transduction by growth f
actor receptors and second messengers","RNA Polymerase II Transcription","Cytokine Signaling in Immune system","Signaling by Insulin receptor","Phospholipid metabolism","Signaling by FGFR in disease",
"Generic Transcription Pathway","Signaling by Interleukins","Insulin receptor signalling cascade","PI Metabolism","Signaling by FGFR1 in disease","Transcriptional Regulation by TP53",Interleukin-3,"In
terleukin-5 and GM-CSF signaling","IRS-mediated signalling","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor activation","Regulation of TP53 Activity","Interleukin receptor SHC signal
ing","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{ZSTK474,475110-96-4,475110964,ZSTK-474,"ZSTK 474",TCMDC-137004,TCMDC137004,UNII-K0068GK39A,UNIIK0068GK39A,"2-(2-Difluoromethylbenzimidazol-1-yl)-4,6-bis(morpholino)-1,3,5-triazine","2(2Difluoromethyl
benzimidazol1yl)4,6bis(morpholino)1,3,5triazine",CHEMBL586702,CHEBI:90545,K0068GK39A,2-(2-difluoromethylbenzimidazol-1-yl)-4,2(2difluoromethylbenzimidazol1yl)4,6-dimorpholino-1,6dimorpholino1,3,5-tria
z,5triaz,T6168,S1072}

> <pdid>
PD003388

> <targets>
{PI3K,Autophagy}

> <classes>
{Autophagy,PI3K/Akt/mTOR}

> <pubchem_cids>
{11647372}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 31  0  0  0  0            999 V2000
    3.8847   -8.2572    0.0000 B   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    7.7808  -10.5183    0.0000 C   0  0
    5.1830  -10.5134    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1929   -3.0062    0.0000 C   0  0
    6.4919   -3.7562    0.0000 C   0  0
    5.1933   -1.5062    0.0000 O   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
    2.5880   -7.5031    0.0000 O   0  0
    3.8794   -9.7572    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  2  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 10 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  2  3
 22 17  1  0
 21 23  1  0
 23 24  2  3
 24 25  1  0
 25 26  2  3
 26 27  1  0
 27 28  2  3
 28 23  1  0
  1 29  1  0
  1 30  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15843

> <plate>
PLATE 007

> <well>
G9

> <supplier_cmpd_name>
Delanzomib

> <ctcr_id>
1062

> <supplier_cmpd_id>
T6027

> <smiles>
B(C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C1=CC=CC(=N1)C2=CC=CC=C2)(O)O

> <pd_targets>
{CYP3A4,ELANE,PSMB9,PSMB10,PSMB5,CTSG,CMA1,PSMB8,PSMB2,PSMB1}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450",Protease,Hydrolase,"Cytochrome P450 family 3","Serine protease","Threonine protease","Cytochrome P450 family 3A","Serine protease PA clan","Threonine protease PBT clan","Cyto
chrome P450 3A4","Serine protease S1A subfamily","Threonine protease T1B subfamily","Threonine protease T1A subfamily"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","Peptidases and proteinases","CYP3 family","PA: Serine (S) Peptidases","PB: Threonine (T) Peptidases","S1: Chymotrypsin","T1: Proteasome"}

> <pathway_reactome>
{Metabolism,"Immune System","Cell Cycle",Disease,"Extracellular matrix organization","Metabolism of lipids","Innate Immune System",Mitotic,"Infectious disease","Degradation of the extracellular matrix
","Biosynthesis of specialized proresolving mediators (SPMs)","Complement cascade","Regulation of mitotic cell cycle","Infection with Mycobacterium tuberculosis","Activation of Matrix Metalloproteinas
es","Biosynthesis of DHA-derived SPMs","Regulation of Complement cascade","APC/C-mediated degradation of cell cycle proteins","Response of Mtb to phagocytosis","Biosynthesis of maresins","Activation o
f APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Suppression of apoptosis","Biosynthesis of maresin-like SPMs","APC/C:Cdc20 mediated degradation of mitotic proteins","APC:Cdc20 media
ted degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{CMA1,CTSG,CYP3A4,ELANE}

> <broad_moa>
{"proteasome inhibitor"}

> <synonyms>
{"EP18770 (DELANZOMIB",AKOS032947283,T6027,S1157,Delanzomib,"CEP-18770 (Delanzomib)"}

> <pdid>
PD056797

> <targets>
{Proteasome,Apoptosis,NF-ºB}

> <classes>
{Proteases,Apoptosis,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{74318895}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8915    3.7585    0.0000 N   0  0
    3.8863    5.2585    0.0000 C   0  0
    2.5847    6.0040    0.0000 C   0  0
    2.5795    7.5040    0.0000 Cl  0  0
    1.2883    5.2495    0.0000 C   0  0
   -0.0156    5.9927    0.0000 N   0  0
   -1.3117    5.2360    0.0000 C   0  0
   -1.3014    3.7359    0.0000 C   0  0
   -2.5952    2.9770    0.0000 C   0  0
   -3.8994    3.7180    0.0000 C   0  0
   -3.9098    5.2179    0.0000 C   0  0
   -2.6160    5.9769    0.0000 C   0  0
   -2.6295    7.4777    0.0000 N   0  0
   -3.9355    8.2172    0.0000 S   0  0
   -3.9490    9.7171    0.0000 O   0  0
   -5.2279    7.4559    0.0000 O   0  0
   -5.2411    8.9557    0.0000 C   0  0
    1.2934    3.7495    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 N   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 O   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  2  0
 20 23  1  0
 11 24  2  0
 24  6  1  0
  4 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28  3  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 29  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15844

> <plate>
PLATE 007

> <well>
G10

> <supplier_cmpd_name>
CZC-25146

> <ctcr_id>
11431

> <supplier_cmpd_id>
T3053

> <smiles>
COc1c(Nc2ncc(Cl)c(Nc3ccccc3NS(=O)(=O)C)n2)ccc(c1)N1CCOCC1

> <pd_targets>
{LRRK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","TKL protein kinase LRRK family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TKL: Tyrosine kinase-like","Leucine-rich repeat kinase (LRRK) family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Non-Receptor Tyrosine Kinases","Signaling by PTK6","PTK6 promotes HIF1A stabilization"}

> <broad_targets>
{LRRK2}

> <broad_moa>
{"leucine rich repeat kinase inhibitor"}

> <synonyms>
{ZC5425,CZC-54252,CZC54252,1191911-27-9,1191911279,SCHEMBL1460537,CHEMBL4303382,CHEBI:78414,BCP15148,EX-A2222,EXA2222,HY-B0792,HYB0792,MFCD26401527,s6534,ZINC98052686,AKOS027253841,CS-3945,CS3945,NCGC
00379153-02,NCGC0037915302,AK203975,AS-56074,AS56074,Q27147816,T2022,T3053,CZC-25146}

> <pdid>
PD012314

> <targets>
{LRRK2}

> <classes>
{Autophagy}

> <pubchem_cids>
{44252734}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    6.4983   -0.7414    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 Br  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15845

> <plate>
PLATE 007

> <well>
G11

> <supplier_cmpd_name>
SMER28

> <ctcr_id>
11488

> <supplier_cmpd_id>
T3155

> <smiles>
C=CCNc1ncnc2c1cc(cc2)Br

> <pd_targets>
{NCOA3,HTT,ALDH1A1,HPGD,LMNA,KDM4E,NS1,NCOA1,MTOR}

> <pathway_gtopdb>
{"Epigenetic regulator","Unclassified protein",Enzyme,"Other nuclear protein",Writer,Oxidoreductase,Eraser,Kinase,"Histone acetyltransferase","Lysine demethylase","Protein Kinase","SRC family","Jumonj
i domain-containing","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Eicosanoid turnover","Kinases (EC 2.7.x.x)","2.3.1.48 Histone acetyltransferases (HATs)","Prostaglandin synthases","1.14.11.- Histone demethylases",Atypical,"Ph
osphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Cell Cycle","Metabolism of lipids","RNA Polymerase II Transcription","Biological oxidations",Mitotic,"Regulation of lipid metabolism by PPARalpha","Gener
ic Transcription Pathway","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Metabolism of steroids","PPARA activates gene expression","T
ranscriptional Regulation by MECP2","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Bile acid and bile salt metabolism","Transcriptional Regulation by TP53","R
egulation of MECP2 expression and activity","Biosynthesis of D-series resolvins","Mitotic Anaphase","Synthesis of bile acids and bile salts","Regulation of TP53 Activity","Nuclear Envelope (NE) Reasse
mbly","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradati
on"}

> <broad_targets>
{SNCA}

> <broad_moa>
{"autophagy inducer"}

> <synonyms>
{SMER28,307538-42-7,307538427,"SMER 28",N-Allyl-6-bromoquinazolin-4-amine,NAllyl6bromoquinazolin4amine,6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine,6bromoN(prop2en1yl)quinazolin4amine,SMER-28,6-Bromo-
N-2-propenyl-4-quinazolinamine,6BromoN2propenyl4quinazolinamine,6-bromo-N-prop-2-enylquinazolin-4-amine,6bromoNprop2enylquinazolin4amine,6-bromo-N-prop-2-enyl-4-quinazolinamine,6bromoNprop2enyl4quinaz
olinamine,CHEMBL494325,T3155}

> <pdid>
PD038696

> <targets>
{Autophagy}

> <classes>
{Autophagy}

> <pubchem_cids>
{1560402}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981    3.0000    0.0000 O   0  0
    2.5981    1.5000    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17  7  1  0
 14 18  1  0
 12 19  1  0
  8 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15846

> <plate>
PLATE 007

> <well>
H2

> <supplier_cmpd_name>
Galangin

> <ctcr_id>
11489

> <supplier_cmpd_id>
T3668

> <smiles>
c1ccc(cc1)c1c(c(=O)c2c(cc(cc2o1)O)O)O

> <pd_targets>
{TIM23,CA4,CA7,BCHE,ACHE,CYP1A1,CYP2D6,ABCB1,LCK,XDH,DPP3,KMT2A,MEN1,ADORA1,CYP1B1,CYP1A2,MAPT,ABCB1A,FABG,CYP2C19,TIM10,TRPC5,CA12,MAOB,ADORA3,ADORA2A,CYP3A4,MAOA,ATP2A1,AURKB,CYP2C9,ADORA2B,CYP19A1}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,Transporter,"Epigenetic regulator","Membrane receptor","Other cytosolic protein","Ion channel",Lyase,Hydrolase,"Cytochrome P450","Primary active transporter",Kinase,Oxid
oreductase,Protease,Reader,"Family A G protein-coupled receptor","Voltage-gated ion channel","Cytochrome P450 family 1","Cytochrome P450 family 2","ATP-binding cassette","Protein Kinase","Metallo prot
ease",Bromodomain,"Small molecule receptor (family A GPCR)","Transient receptor potential channel","Cytochrome P450 family 3","P-type ATPase","Cytochrome P450 family 19","Cytochrome P450 family 1A","C
ytochrome P450 family 2D","ABCB subfamily","TK protein kinase group","Metallo protease MAE clan","Nucleotide-like receptor (family A GPCR)","Cytochrome P450 family 1B","Cytochrome P450 family 2C","Cyt
ochrome P450 family 3A","Calcium ATPase","Other protein kinase group","Cytochrome P450 family 19A","Cytochrome P450 1A1","Cytochrome P450 2D6","Tyrosine protein kinase Src family","Metallo protease M4
9 family","Adenosine receptor","Cytochrome P450 1B1","Cytochrome P450 2C19","Cytochrome P450 3A4","Other protein kinase AUR family","Cytochrome P450 2C9","Cytochrome P450 19A1"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Ion channels","Carbonic anhydrases","Acetylcholine turnover","Cytochrome P450","ATP-binding cassette transporter family","Catalytic receptors","1.-.-.- Oxidoreductases
","Peptidases and proteinases","G protein-coupled receptors","Voltage-gated ion channels","Catecholamine turnover","P-type ATPases","CYP1 family","CYP2 family: drug metabolising subset","ABCB subfamil
y","Receptor kinases","MA: Metallo (M) Peptidases","Adenosine receptors","Transient Receptor Potential channels","CYP3 family","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases",CYP11,CYP17,CYP19,"CYP20 an
d CYP21 families","TK: Tyrosine kinase","M49: Dipeptidyl-peptidase III","Other protein kinases","Non-receptor tyrosine kinases (nRTKs)","Aurora kinase (Aur) family","Src family"}

> <pathway_reactome>
{"Transport of small molecules",Metabolism,Disease,"Signal Transduction","Neuronal System","Developmental Biology",Hemostasis,"Cell Cycle","O2/CO2 exchange in erythrocytes","Reversible hydration of ca
rbon dioxide","Metabolism of lipids","Biological oxidations","Abacavir transport and metabolism","Infectious disease","Metabolism of nucleotides","Signaling by GPCR","Transmission across Chemical Syna
pses","Nervous system development","Platelet homeostasis",Mitotic,"Erythrocytes take up carbon dioxide and release oxygen","Phospholipid metabolism","Phase I - Functionalization of compounds","Abacavi
r transmembrane transport","HIV Infection","Nucleobase catabolism","GPCR ligand binding","Neurotransmitter receptors and postsynaptic signal transmission","Axon guidance","Leishmania infection","Biosy
nthesis of specialized proresolving mediators (SPMs)","Platelet calcium homeostasis","M Phase","Glycerophospholipid biosynthesis","Cytochrome P450 - arranged by substrate type","Host Interactions of H
IV factors","Purine catabolism","Class A/1 (Rhodopsin-like receptors)","Activation of NMDA receptors and postsynaptic events","Netrin-1 signaling","Amine Oxidase reactions","Leishmania parasite growth
 and survival","Biosynthesis of DHA-derived SPMs","Reduction of cytosolic Ca++ levels","Mitotic Metaphase and Anaphase","Synthesis of PC",Xenobiotics,"The role of Nef in HIV-1 replication and disease 
pathogenesis","Nucleotide-like (purinergic) receptors","Endogenous sterols","Post NMDA receptor activation events","Role of second messengers in netrin-1 signaling","Biogenic amines are oxidatively de
aminated to aldehydes by MAOA and MAOB","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresins","Mitotic Anaphase","CYP2E1 reactions","Nef-mediates down modulat
ion of cell surface receptors by recruiting them to clathrin adapters","Adenosine P1 receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Activation of AMPK downstream of NMD
ARs","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Separation of Sister Chromatids","Nef Mediated CD4 Down-regulation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Galangin,548-83-4,548834,Norizalpinin,"3,5,7-Trihydroxyflavone","3,5,7Trihydroxyflavone","3,5,7-Trihydroxy-2-phenyl-4H-chromen-4-one","3,5,7Trihydroxy2phenyl4Hchromen4one","3,5,7-triOH-Flavone","3,5,
7triOHFlavone","3,5,7-Trihydroxy-2-phenyl-4-benzopyrone","3,5,7Trihydroxy2phenyl4benzopyrone","4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl-","4H1Benzopyran4one, 3,5,7trihydroxy2phenyl",3,5,7-trih
ydroxy-2-phenylch,7trihydroxy2phenylch,T3668}

> <pdid>
PD001197

> <targets>
{ERK,NF-¦ÊB}

> <classes>
{MAPK,NF-¦ªb}

> <pubchem_cids>
{5281616}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 22  0  0  1  0            999 V2000
    8.9990   -3.3752    0.0000 Cl  0  0
    6.4983   -0.7414    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0031   -3.0008    0.0000 C   0  0
   -1.2946   -3.7531    0.0000 O   0  0
    1.3039   -3.7494    0.0000 N   0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6060   -6.0003    0.0000 C   0  0
    3.9051   -5.2503    0.0000 C   0  0
    2.6061   -7.5003    0.0000 C   0  0
    1.3071   -8.2503    0.0000 C   0  0
    0.0080   -7.5003    0.0000 C   0  0
    0.0080   -6.0003    0.0000 C   0  0
   -1.2911   -5.2504    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
 11 12  1  6
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 15  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15847

> <plate>
PLATE 007

> <well>
H3

> <supplier_cmpd_name>
Levobupivacaine HCl

> <ctcr_id>
11188

> <supplier_cmpd_id>
T6566

> <smiles>
Cl.CCCCN1CCCC[C@H]1C(=O)Nc1c(C)cccc1C

> <pd_targets>
{KCNH2,IMPA1,CYP3A4,CYP2D6,CYP1A2,TSHR,SCN4A,SCN10A,KCND3,KCNA5,SCN1A,SCN2A,SCN3A,SCN5A,KCNK9,KCNK3,PTGER1}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Membrane receptor","Voltage-gated ion channel",Hydrolase,"Cytochrome P450","Family A G protein-coupled receptor","Potassium channels","Cytochrome P450 family 3","Cytochrome P450
 family 2","Cytochrome P450 family 1","Peptide receptor (family A GPCR)","Voltage-gated sodium channel","Voltage-gated potassium channel","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Cytoc
hrome P450 family 1A","Glycohormone receptor","Cytochrome P450 3A4","Cytochrome P450 2D6","Cytochrome P450 1A1","Small molecule receptor (family A GPCR)","Two-pore domain potassium channel","Lipid-lik
e ligand receptor (family A GPCR)","Prostanoid receptor"}

> <pathway_chembl>
{"Ion channels",Enzymes,Receptors,"Voltage-gated ion channels","Inositol phosphate turnover","Cytochrome P450","G protein-coupled receptors","Potassium channels","Inositol monophosphatase","CYP3 famil
y","CYP2 family: drug metabolising subset","CYP1 family","Glycoprotein hormone receptors","Voltage-gated sodium channels","Voltage-gated potassium channels","Prostanoid receptors","Two P domain potass
ium channels"}

> <pathway_reactome>
{"Muscle contraction",Metabolism,Disease,"Developmental Biology","Cardiac conduction","Inositol phosphate metabolism","Metabolism of lipids","Biological oxidations","Infectious disease","Nervous syste
m development","Phase 3 - rapid repolarisation","Synthesis of IP2",IP,"and Ins in the cytosol","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","L
eishmania infection","Axon guidance","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","L1CAM interactions","Biosynthesis of m
aresins",Xenobiotics,"Anti-inflammatory response favouring Leishmania parasite infection","Interaction between L1 and Ankyrins","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Aromatic amines 
can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated anti-inflammatory cytokines production","Neuronal System","Signal Transduction","Potassium Channels","Signaling by GPCR","Phase 1 - 
inactivation of fast Na+ channels","Voltage gated Potassium channels","Tandem pore domain potassium channels","GPCR ligand binding","TWIK-releated acid-sensitive K+ channel (TASK)","Class A/1 (Rhodops
in-like receptors)","Eicosanoid ligand-binding receptors","Prostanoid ligand receptors"}

> <broad_targets>
{KCNA5,SCN10A}

> <broad_moa>
{"sodium channel blocker"}

> <synonyms>
{EVOBUPIVACAIN,"Levobupivacaine HCl","Levobupivacaine hydrochloride",27262-48-2,27262482,Chirocaine,UNII-J998RDZ51I,UNIIJ998RDZ51I,"(S)-1-Butyl-N-(2,6-dimethylphenyl)piperidine-2-carboxamide hydrochlo
ride","(S)1ButylN(2,6dimethylphenyl)piperidine2carboxamide hydrochloride","Levobupivacaine (hydrochloride)","(S)-(-)-Bupivacaine hydrochloride","(S)()Bupivacaine hydrochloride",(}

> <pdid>
PD009597

> <targets>
{"Sodium Channel"}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{117965}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 67 74  0  0  1  0            999 V2000
   -9.8785   -1.2799    0.0000 C   0  0
  -10.6159    0.0263    0.0000 C   0  0
   -9.8539    1.3170    0.0000 C   0  0
   -8.7906    1.7767    0.0000 C   0  0
   -7.6213    2.8080    0.0000 C   0  0  1  0  0  0
   -9.3949    5.3852    0.0000 C   0  0
   -9.0562    3.7760    0.0000 N   0  0
   -9.9666    2.2821    0.0000 C   0  0
   -7.2598    3.9925    0.0000 C   0  0
   -6.3969    4.7752    0.0000 C   0  0
   -5.0847    4.7896    0.0000 C   0  0
   -4.4469    5.9968    0.0000 N   0  0
   -5.4807    6.7939    0.0000 C   0  0
   -5.3783    7.9659    0.0000 C   0  0
   -6.4350    8.5643    0.0000 C   0  0
   -7.7902    7.7717    0.0000 C   0  0
   -7.7896    6.6020    0.0000 C   0  0
   -6.6978    6.0821    0.0000 C   0  0
   -4.6571    3.9977    0.0000 C   0  0  1  0  0  0
   -5.4925    3.1494    0.0000 C   0  0
   -3.4221    4.8504    0.0000 C   0  0
   -2.0670    4.2072    0.0000 O   0  0
   -3.5421    6.3465    0.0000 O   0  0
   -2.3077    7.1987    0.0000 C   0  0
   -4.0318    2.6323    0.0000 C   0  0
   -2.5657    2.5157    0.0000 C   0  0
   -1.9493    1.1329    0.0000 C   0  0
   -2.7823    0.0000    0.0000 C   0  0
   -4.2817    0.1000    0.0000 C   0  0
   -4.8982    1.4328    0.0000 C   0  0
   -6.3927    1.5708    0.0000 O   0  0
   -7.2597    0.3467    0.0000 C   0  0
   -1.9493   -1.2495    0.0000 N   0  0
   -2.4335   -2.6692    0.0000 C   0  0
   -0.5665   -0.7830    0.0000 C   0  0  1  0  0  0
    0.6997   -1.5161    0.0000 C   0  0  2  0  0  0
   -0.6257   -2.2184    0.0000 O   0  0
    2.0326   -0.7830    0.0000 C   0  0  2  0  0  0
    3.3301   -1.5369    0.0000 O   0  0
    3.3273   -3.0377    0.0000 C   0  0
    2.4602   -3.5358    0.0000 C   0  0
    4.6244   -3.7910    0.0000 O   0  0
    2.0326    0.6831    0.0000 C   0  0  2  0  0  0
    3.3312   -0.0685    0.0000 C   0  0
    4.1981    0.4300    0.0000 C   0  0
    3.2821    1.3995    0.0000 C   0  0
    3.2821    2.8989    0.0000 C   0  0
    1.5328    3.8485    0.0000 C   0  0
    0.4165    2.8656    0.0000 N   0  0
   -1.0329    3.0488    0.0000 C   0  0
   -1.6660    1.6994    0.0000 C   0  0
   -0.5665    0.6997    0.0000 C   0  0  2  0  0  0
    0.7331    1.4328    0.0000 C   0  0  2  0  0  0
    1.9918   -2.2373    0.0000 C   0  0
    1.9807   -3.2373    0.0000 O   0  0
    3.3001   -1.5018    0.0000 O   0  0
    4.5909   -2.2657    0.0000 C   0  0
   11.0251    4.2614    0.0000 O   0  0
   11.0251    2.7614    0.0000 C   0  0
    9.7251    2.0114    0.0000 C   0  0
    9.7251    0.5114    0.0000 O   0  0
    8.4251    2.7614    0.0000 C   0  0
    8.4251    4.2614    0.0000 O   0  0
    7.1258    2.0119    0.0000 O   0  0
   12.3251    2.0114    0.0000 C   0  0
   12.3251    0.5114    0.0000 O   0  0
   13.6244    2.7610    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 10  1  0
 18 13  1  0
 11 19  1  0
 19 20  1  0
 20  5  1  0
 19 21  1  6
 21 22  2  0
 21 23  1  0
 23 24  1  0
 19 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 30 31  1  0
 31 32  1  0
 28 33  1  0
 33 34  1  0
 35 33  1  6
 35 36  1  0
 36 37  1  1
 36 38  1  0
 38 39  1  1
 39 40  1  0
 40 41  1  0
 40 42  2  0
 38 43  1  0
 43 44  1  6
 44 45  1  0
 43 46  1  0
 46 47  2  3
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 52 51  1  1
 52 27  1  0
 52 35  1  0
 52 53  1  0
 53 43  1  0
 53 49  1  1
 36 54  1  0
 54 55  2  0
 54 56  1  0
 56 57  1  0
 58 59  1  0
 59 60  1  0
 60 61  1  0
 60 62  1  0
 62 63  1  0
 62 64  2  0
 59 65  1  0
 65 66  1  0
 65 67  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15848

> <plate>
PLATE 007

> <well>
H4

> <supplier_cmpd_name>
Vinorelbine Tartrate

> <ctcr_id>
1173

> <supplier_cmpd_id>
T6213

> <smiles>
CCC1=C[C@H]2CN(C1)Cc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(C)=O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC.OC(C(O)C(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"VINORELBINE BITATRATE",MLS001401463,HMS2051D08,CCG-101008,CCG101008,NC00258,SMR000469210,AB01274128-01,AB0127412801,T6213,SAM001246780,"Vinorelbine Tartrate",CPD000469210}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{23581803}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 S   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0935    6.1101    0.0000 S   0  0
   -0.5570    7.5366    0.0000 C   0  0
   -2.0570    7.5366    0.0000 N   0  0
   -2.5205    6.1100    0.0000 C   0  0
   -3.9443    5.6380    0.0000 C   0  0
    0.3251    8.7508    0.0000 C   0  0
    1.8194    8.7060    0.0000 C   0  0
    2.6073    9.9824    0.0000 C   0  0
    1.8958   11.3029    0.0000 C   0  0
    0.3964   11.3470    0.0000 C   0  0
   -0.3914   10.0705    0.0000 C   0  0
    2.6841   12.5801    0.0000 C   0  0
    4.1834   12.5369    0.0000 F   0  0
    1.9721   13.9003    0.0000 F   0  0
    3.4713   13.8569    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0092   -6.0025    0.0000 O   0  0
   -2.6071   -5.9984    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  2  0
 11 12  1  0
  9 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
  4 23  2  0
 23 24  1  0
 24 25  2  0
 25  2  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15849

> <plate>
PLATE 007

> <well>
H5

> <supplier_cmpd_name>
Endurobol

> <ctcr_id>
6439

> <supplier_cmpd_id>
T6151

> <smiles>
Cc1cc(SCc2sc(nc2C)c3ccc(cc3)C(F)(F)F)ccc1OCC(O)=O

> <pd_targets>
{PPARG,PPARD,PPARA}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group C","Nuclear hormone receptor subfamily 1 group C member 3","Nuclear hormon
e receptor subfamily 1 group C member 2","Nuclear hormone receptor subfamily 1 group C member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1C. Peroxisome proliferator-activated receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"RNA Polymerase II Transcription","The citric acid (TCA) cycle and respiratory electron transport","Metabolism of lipids","Generic Transcription Pathway",
"Pyruvate metabolism and Citric Acid (TCA) cycle","Metabolism of steroids","Transcriptional Regulation by MECP2","Pyruvate metabolism","Regulation of cholesterol biosynthesis by SREBP (SREBF)","MECP2 
regulates transcription factors","Regulation of pyruvate dehydrogenase (PDH) complex","Activation of gene expression by SREBF (SREBP)"}

> <broad_targets>
{PPARA,PPARD}

> <broad_moa>
{"PPAR receptor agonist"}

> <synonyms>
{317318-70-0,317318700,GW501516,"GW 501516",Endurobol,GW-501516,GSK-516,GSK516,GW1516,UNII-7I2HA1NU22,UNII7I2HA1NU22,"GW 1516",GW-1516,GW-516,GW516,CHEMBL38943,7I2HA1NU22,CHEBI:73726,"GW501,516","GW 5
01,516","GW-501,516",Cardarine,"GSK 516",PubChem18349,"GW501516 (Cardarine)","GW501516 (",T6151,S1473}

> <pdid>
PD008609

> <targets>
{PPAR,Autophagy}

> <classes>
{Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{9803963}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 20  0  0  0  0            999 V2000
    2.5800    0.0305    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2638   -2.2496    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  2  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17  6  1  0
 17 18  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15850

> <plate>
PLATE 007

> <well>
H6

> <supplier_cmpd_name>
Beta-Lapachone

> <ctcr_id>
1326

> <supplier_cmpd_id>
T6407

> <smiles>
CC1(C)CCC2=C(O1)c3ccccc3C(=O)C2=O

> <pd_targets>
{GROES,GROL,MAPT,THPO,NPSR1,CYP2C9,TDP2,RECQL,KDM4E,CYP2C19,RORC,MAPK1,BLM,NFKB1,FTL,GLA,CYP2D6,IDO1,TST,TGM2,PMP22,ALOX15,CHRM1,MALT1,HIF1A,FFP,GMNN,LMNA,KMT2A,MEN1,HSPD1,HSPE1,ALDH1A1,CYP3A4,THRB,AL
D,TP53,CYP1A2,CASP1,REP,MTOR,CES2,NQO1,CES1,POR,NFKB2,RELA}

> <pathway_gtopdb>
{"Unclassified protein","Other cytosolic protein","Membrane receptor",Enzyme,"Epigenetic regulator","Transcription factor","Other nuclear protein","Family A G protein-coupled receptor","Cytochrome P45
0",Phosphodiesterase,Eraser,"Nuclear receptor",Kinase,Hydrolase,Oxidoreductase,Transferase,Aminoacyltransferase,Reader,Protease,"Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Lysine de
methylase","Nuclear hormone receptor subfamily 1","Protein Kinase","Protein-glutamine glutamyl-transferase","Small molecule receptor (family A GPCR)",Bromodomain,"Cytochrome P450 family 3","Cytochrome
 P450 family 1","Cysteine protease","Short peptide receptor (family A GPCR)","Cytochrome P450 family 2C","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase
 group","Cytochrome P450 family 2D","Monoamine receptor","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group A","Cytochrome P450 family 1A","Cysteine protease CD clan","Atypical pr
otein kinase group","Neuropeptide receptor","Cytochrome P450 2C9","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cytochrome P450 2D6"
,"Acetylcholine receptor","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group A member 2","Cytochrome P450 1A1","Cysteine protease C14 family","Atypical protein kinase PIKK family","CMGC
 protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","G protein-coupled receptors","Cytochrome P450","Chromatin modifying enzymes","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","1.13.11.- Dioxygenases","2.
3.2.- Aminoacyltransferases","Eicosanoid turnover","Immunoglobulin like domain containing proteins","Peptidases and proteinases","Anti-infective targets",Hydrolases,"Neuropeptide S receptor","CYP2 fam
ily: drug metabolising subset","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","2.3.2.13 Transglutaminases",Lipoxygenases,"Acetylch
oline receptors (muscarinic)","CYP3 family","1A. Thyroid hormone receptors","CYP1 family","CD: Cysteine (C) Peptidases","Viral protein targets",Atypical,"Mitogen-activated protein kinases (MAP kinases
)","C14: Caspase","Coronavirus (CoV) proteins","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{"Neuronal System",Hemostasis,Disease,Metabolism,"DNA Repair","Gene expression (Transcription)","Immune System","Vesicle-mediated transport","Developmental Biology","Signal Transduction","Cellular res
ponses to external stimuli","Cell Cycle","Metabolism of proteins","Transmission across Chemical Synapses","Platelet activation","signaling and aggregation","Infectious disease","Biological oxidations"
,"DNA Double-Strand Break Repair","RNA Polymerase II Transcription","Innate Immune System","Cytokine Signaling in Immune system","Membrane Trafficking","Metabolism of lipids","Metabolism of amino acid
s and derivatives","Nervous system development","Signaling by GPCR","Adaptive Immune System","Cellular responses to stress",Mitotic,"Post-translational protein modification","Cell Cycle Checkpoints","
Neurotransmitter receptors and postsynaptic signal transmission","Platelet Aggregation (Plug Formation)","Leishmania infection","Phase I - Functionalization of compounds","Nonhomologous End-Joining (N
HEJ)","Generic Transcription Pathway","Toll-like Receptor Cascades","Homology Directed Repair","Signaling by Interleukins","trans-Golgi Network Vesicle Budding","Sphingolipid metabolism","Tryptophan c
atabolism","Sulfur amino acid metabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand binding","Signaling 
by the B Cell Receptor (BCR)","Cellular response to hypoxia","Mitotic G1 phase and G1/S transition","M Phase",SUMOylation,"G1/S DNA Damage Checkpoints","SARS-CoV Infections","Metabolism of polyamines"
,"Activation of NMDA receptors and postsynaptic events","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","Transcriptional regulation by RUNX3","Toll Like Recept
or 5 (TLR5) Cascade","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Interleukin-1 family signaling","Golgi Associated Vesicle Biogenesis","Glycosphingolipid metabolism"
,"Degradation of cysteine and homocysteine","Biosynthesis of DPA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Downstream signaling events of B Cell Receptor (BCR)","Oxygen-dependent proline h
ydroxylation of Hypoxia-inducible Factor Alpha","G1/S Transition","Mitotic Metaphase and Anaphase","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","SUMO E3 ligases SUMOylate target proteins","p
53-Dependent G1/S DNA damage checkpoint","Transcriptional Regulation by TP53","SARS-CoV-2 Infection","Regulation of ornithine decarboxylase (ODC)","Post NMDA receptor activation events","Anti-inflamma
tory response favouring Leishmania parasite infection",Xenobiotics,"RUNX3 Regulates Immune Response and Cell Migration","MyD88 cascade initiated on plasma membrane","HDR through Homologous Recombinati
on (HRR)","Interleukin-1 signaling","Sulfide oxidation to sulfate","Biosynthesis of DPAn-3 SPMs","Amine ligand-binding receptors","Activation of NF-kappaB in B cells","Activation of the pre-replicativ
e complex","Mitotic Anaphase","Biosynthesis of maresins","SUMOylation of intracellular receptors","p53-Dependent G1 DNA Damage Response","TP53 Regulates Transcription of Cell Death Genes","SARS-CoV-2 
Genome Replication and Transcription","Regulation of TP53 Activity","Activation of AMPK downstream of NMDARs","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","MAP kinase a
ctivation","Homologous DNA Pairing and Strand Exchange","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived protectins and resolvins","Muscarinic acetylcholine receptors","Nuc
lear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Stabilization of p53","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","TP53 Regulates Transcription of Caspase Ac
tivators and Caspases","Replication of the SARS-CoV-2 genome","Regulation of TP53 Expression and Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DN
A pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactiv
ated"}

> <broad_targets>
{TOP1}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{betaLapachone,4707-32-8,4707328,lapachone,"2,2-Dimethyl-3,4-dihydro-2H-benzo(h)chromene-5,6-dione","2,2Dimethyl3,4dihydro2Hbenzo(h)chromene5,6dione","Lapachone, beta-","Lapachone, beta","ARQ 501",ARQ
-501,ARQ501,.beta.-Lapachone,.beta.Lapachone,"3,4-Dihydro-2,2-dimethyl-2H-naphtho(1,2-B)pyran-5,6-dione","3,4Dihydro2,2dimethyl2Hnaphtho(1,2B)pyran5,6dione",UNII-6N4FA2QQ6A,UNII6N4FA2QQ6A,NSC-26326,NS
C26326,3,4-Dihydr,4Dihydr,T6407,"NSC 26326",Beta-Lapachone,"LAPACHONE, BETA"}

> <pdid>
PD001057

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3885}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 17 19  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.6837   -4.3363    0.0000 C   0  0
   -4.1755   -4.1795    0.0000 C   0  0
   -4.7856   -2.8092    0.0000 C   0  0
   -6.2774   -2.6524    0.0000 Cl  0  0
   -3.9040   -1.5957    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17  8  1  0
 17 11  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15851

> <plate>
PLATE 007

> <well>
H7

> <supplier_cmpd_name>
Selisistat

> <ctcr_id>
5955

> <supplier_cmpd_id>
T6111

> <smiles>
NC(=O)C1CCCc2c1[nH]c3ccc(Cl)cc23

> <pd_targets>
{SIRT1,SIRT2,SIRT3,HST2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class III",Enzyme}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","FOXO-mediated transcription","Regulation of FOXO transcriptional activity by acetylation","Cell Cy
cle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Nuclear Envelope (NE) Reassembly","Initiati
on of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SIRT1}

> <broad_moa>
{"SIRT inhibitor"}

> <synonyms>
{49843-98-3,49843983,Selisistat,"6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide","6chloro2,3,4,9tetrahydro1Hcarbazole1carboxamide",EX-527,EX527,"EX 527",SEN0014196,"SIRT1 Inhibitor III","EX 52
7 (Selisistat)","EX-527 (S-enantiomer)","EX527 (Senantiomer)",CHEMBL420311,CHEBI:90369,"Selisistat S-enantiomer","Selisistat Senantiomer",1H-Carbazole-1-ca,1HCarbazole1ca,T6111,S1541,"EX 527 (Selisist
at)"}

> <pdid>
PD003330

> <targets>
{Sirtuin}

> <classes>
{Epigenetics,Cell Cycle/DNA Damage}

> <pubchem_cids>
{5113032}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -3.8888   -5.2533    0.0000 O   0  0
   -2.5868   -5.9998    0.0000 C   0  0
   -1.2903   -5.2455    0.0000 O   0  0
   -2.5813   -7.5006    0.0000 N   0  0
   -1.2793   -8.2471    0.0000 C   0  0
   -1.2717   -9.7471    0.0000 C   0  0
    0.0312  -10.4906    0.0000 C   0  0
    1.3264   -9.7340    0.0000 C   0  0
    1.3188   -8.2340    0.0000 C   0  0
    0.0160   -7.4906    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 14 25  2  0
 25 10  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15852

> <plate>
PLATE 007

> <well>
H8

> <supplier_cmpd_name>
URB597

> <ctcr_id>
6414

> <supplier_cmpd_id>
T6714

> <smiles>
NC(=O)c1cccc(c1)c2cccc(OC(=O)NC3CCCCC3)c2

> <pd_targets>
{FAAH,TRPA1,FAAH2,AMPC,FTL,EPHX2}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Unclassified protein",Hydrolase,"Voltage-gated ion channel",Protease,"Transient receptor potential channel","Serine protease","Serine protease SC clan","Serine protease S33 fami
ly"}

> <pathway_chembl>
{Enzymes,"Ion channels","Endocannabinoid turnover","Voltage-gated ion channels",Hydrolases,"<i>N</i>-Acylethanolamine turnover","Transient Receptor Potential channels"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Vesicle-mediated transport","Metabolism of lipids","Ion channel transport","Membrane Trafficking","Fatty acid metabolism","Stimuli-sensing channels","trans-
Golgi Network Vesicle Budding","Biosynthesis of specialized proresolving mediators (SPMs)","Arachidonic acid metabolism","TRP channels","Golgi Associated Vesicle Biogenesis","Biosynthesis of DHA-deriv
ed SPMs","Biosynthesis of maresins"}

> <broad_targets>
{FAAH,FAAH2,TRPA1}

> <broad_moa>
{"FAAH inhibitor"}

> <synonyms>
{546141-08-6,546141086,URB597,URB-597,"3'-Carbamoyl-(1,1'-biphenyl)-3-yl cyclohexylcarbamate","3'Carbamoyl(1,1'biphenyl)3yl cyclohexylcarbamate","URB 597",KDS-4103,KDS4103,UNII-PX47LB88FO,UNIIPX47LB88
FO,"(3-(3-carbamoylphenyl)phenyl) N-cyclohexylcarbamate","(3(3carbamoylphenyl)phenyl) Ncyclohexylcarbamate","3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate","3(3carbamoylphenyl)phenyl Ncyclohexylca
rbamate",PX47LB88FO,CHEMBL184238,T6714,S2631}

> <pdid>
PD010909

> <targets>
{FAAH,Autophagy,Mitophagy}

> <classes>
{Metabolism,Autophagy,Metabolic Enzyme/Protease,Neuronal Signaling}

> <pubchem_cids>
{1383884}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 41 46  0  0  0  0            999 V2000
    7.8985   12.9374    0.0000 C   0  0
    7.4375   11.5100    0.0000 N   0  0
    8.4432   10.3970    0.0000 C   0  0
    7.9821    8.9696    0.0000 C   0  0
    6.5154    8.6551    0.0000 N   0  0
    5.5098    9.7682    0.0000 C   0  0
    5.9708   11.1956    0.0000 C   0  0
    6.0519    7.2277    0.0000 C   0  0
    7.0558    6.1132    0.0000 C   0  0
    6.5925    4.6865    0.0000 C   0  0
    5.1253    4.3743    0.0000 C   0  0
    4.1214    5.4890    0.0000 C   0  0
    4.5847    6.9156    0.0000 C   0  0
    4.6588    2.9478    0.0000 C   0  0
    5.6608    1.8315    0.0000 O   0  0
    3.1904    2.6376    0.0000 N   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 N   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -5.1851   -3.0091    0.0000 F   0  0
   -7.7988    1.4819    0.0000 F   0  0
    7.5992    3.5734    0.0000 N   0  0
    9.0668    3.8879    0.0000 C   0  0
   10.0746    2.7769    0.0000 C   0  0
   11.5407    3.0941    0.0000 C   0  0
   11.9990    4.5223    0.0000 O   0  0
   10.9912    5.6334    0.0000 C   0  0
    9.5252    5.3162    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 17  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 31 33  1  0
 29 34  1  0
 10 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 36  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15853

> <plate>
PLATE 007

> <well>
H9

> <supplier_cmpd_name>
Entrectinib

> <ctcr_id>
11490

> <supplier_cmpd_id>
T3678

> <smiles>
CN1CCN(CC1)c1cc(c(cc1)C(=O)Nc1n[nH]c2c1cc(cc2)Cc1cc(cc(c1)F)F)NC1CCOCC1

> <pd_targets>
{SRC,KDR,AURKA,TNK2,MAP4K2,IGF1R,NTRK2,FGFR3,MST1R,PTK6,RET,ROS1,GRK5,PTK2,SLK,MAP4K5,JAK1,ALK,NTRK3,NTRK1,JAK3,CSF1R,AXL,STK3,FGFR1,PRKCG,HIPK2,BTK,FER,CLK4,FYN,TAOK1,MET,TBK1,LTK,KIT,LYN,BLK,PKN2,CD
K7,FLT1,JAK2,PRKAA1,RPS6KA3,LCK,AURKB,FLT3,DAPK3,CAMK1D,SYK,PLK4,INSR,ABL1,FLT4,MAP4K4,PRKCQ,FRK,CLK2,LRRK2,EML4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","STE protein kinase group","AGC protein kinase group","TKL protein kinase group","CMGC protein kinase group","CAM
K protein kinase group","Tyrosine protein kinase Src family","Tyrosine protein kinase VEGFR family","Other protein kinase AUR family","Tyrosine protein kinase Ack family","STE protein kinase STE20 fam
ily","Tyrosine protein kinase InsR family","Tyrosine protein kinase Trk family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase Met family","Tyrosine protein kinase Ret family","Tyrosin
e protein kinase Sev family","AGC protein kinase GRK family","Tyrosine protein kinase Fak family","Tyrosine protein kinase JakA family","TKL protein kinase STKR family","Tyrosine protein kinase PDGFR 
family","Tyrosine protein kinase Axl family","AGC protein kinase PKC family","CMGC protein kinase DYRK family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Fer family","CMGC protein k
inase CLK family","Other protein kinase IKK family","Tyrosine protein kinase Alk family","AGC protein kinase PKN family","CMGC protein kinase CDK family","CAMK protein kinase CAMK1 family","AGC protei
n kinase RSK family","CAMK protein kinase DAPK family","Tyrosine protein kinase Syk family","Other protein kinase PLK family","Tyrosine protein kinase Abl family","TKL protein kinase LRRK family","STE
 protein kinase KHS subfamily","AGC protein kinase GRK subfamily","STE protein kinase SLK subfamily","TKL protein kinase STKR Type 1 subfamily","STE protein kinase MST subfamily","AGC protein kinase P
KC alpha subfamily","CMGC protein kinase HIPK subfamily","Tyrosine protein kinase SrcA","STE protein kinase TAO subfamily","CMGC protein kinase CDK7 subfamily","CAMK protein kinase AMPK subfamily","AG
C protein kinase RSK subfamily","STE protein kinase MSN subfamily","AGC protein kinase PKC delta subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: 
Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","TK: Tyrosine kinase","Other protein kinases","STE20 family","G protein-coupled receptor kinases (GRKs)","
Protein kinase C (PKC) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CLK family","Protein kinase N (PKN) family","Cyclin-dependent kinase (CDK) family","CAMK-
like (CAMKL) family","RSK family","Death-associated kinase (DAPK) family","CAMK1 family","TKL: Tyrosine kinase-like","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Aurora 
kinase (Aur) family","KHS subfamily","GRK4 subfamily","SLK subfamily","MST subfamily","Alpha subfamily","HIPK subfamily","TAO subfamily","IKK family","CDK7 subfamily","AMPK subfamily","RSK subfamily",
"Polo-like kinase (PLK) family","MSN subfamily","Delta subfamily","Leucine-rich repeat kinase (LRRK) family","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Ack
 family","Type II RTKs: Insulin receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type X RTKs: HGF (hepatocyte growth fa
ctor) receptor family","Type XIV RTKs: RET","Type XVII RTKs: ROS receptors","Fak family","Janus kinase (JakA) family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type III RTKs: P
DGFR",CSFR,Kit,"FLT3 receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Tec family","Fer family","Syk family","Abl family"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Disease,"Cell Cycle","Developmental Biology","Immune System","Neuronal System","Programmed Cell Death","Cellular responses to external stimuli"
,"Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"Nervous system development","Sig
naling by GPCR","Infectious disease","Cytokine Signaling in Immune system","Signaling by Hippo","Transmission across Chemical Synapses","Innate Immune System","Signaling by Rho GTPases",Apoptosis,"Int
racellular signaling by second messengers","Cellular responses to stress","Signaling by Non-Receptor Tyrosine Kinases","Signaling by NTRKs","Signaling by VEGF","Generic Transcription Pathway","Signali
ng by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Signaling by FGFR in disease","Signaling by MST1","Mitotic G1 phase and G1/S transition","Axon guidance","GPCR downstream signalling","Leis
hmania infection","Interferon Signaling","Signaling by Interleukins","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by SCF-KIT","HIV Infection","M Phase","Toll-like Recep
tor Cascades","Signaling by KIT in disease","RHO GTPase Effectors","Signaling by Insulin receptor","Caspase activation via extrinsic apoptotic signalling pathway","Mitotic G2-G2/M phases","PIP3 activa
tes AKT signaling","Cellular Senescence","Signaling by PTK6","Signaling by NTRK1 (TRKA)","VEGFA-VEGFR2 Pathway","Transcriptional Regulation by TP53","IGF1R signaling cascade","Signaling by FGFR3 in di
sease","G1 Phase","RET signaling","G alpha (q) signalling events","Parasite infection","Antiviral mechanism by IFN-stimulated genes","Signaling by NTRK3 (TRKC)","Interleukin-2 family signaling","Trans
criptional Regulation by VENTX","Signaling by FGFR1 in disease","Glutamate binding","activation of AMPA receptors and synaptic plasticity","Host Interactions of HIV factors","Mitotic Metaphase and Ana
phase","Semaphorin interactions","Toll Like Receptor 4 (TLR4) Cascade","Drug resistance of KIT mutants","Leishmania parasite growth and survival","Transcriptional regulation by RUNX1","RHO GTPases act
ivate PKNs","HIV Life Cycle","VEGF ligand-receptor interactions","Toll Like Receptor 5 (TLR5) Cascade","Insulin receptor signalling cascade","Caspase activation via Dependence Receptors in the absence
 of ligand","G2/M Transition","Negative regulation of the PI3K/AKT network","Oxidative Stress Induced Senescence","G alpha (i) signalling events","PTEN Regulation","PTK6 promotes HIF1A stabilization",
"Signalling to ERKs","VEGFR2 mediated cell proliferation","Regulation of TP53 Activity","IRS-related events triggered by IGF1R","Activation of TRKA receptors","Signaling by FGFR3 point mutants in canc
er","Cyclin D associated events in G1","Leishmania phagocytosis","ISG15 antiviral mechanism","Activated NTRK3 signals through PI3K","Interleukin-15 signaling","FGFR1 mutant receptor activation","Traff
icking of AMPA receptors","The role of Nef in HIV-1 replication and disease pathogenesis","Mitotic Anaphase","Sema4D in semaphorin signaling","MyD88-independent TLR4 cascade","Dasatinib-resistant KIT 
mutants","Anti-inflammatory response favouring Leishmania parasite infection","RUNX1 regulates transcription of genes involved in BCR signaling","Late Phase of HIV Life Cycle","VEGF binds to VEGFR lea
ding to receptor dimerization","MyD88 cascade initiated on plasma membrane","IRS-mediated signalling","Centrosome maturation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Visual phototransduction
","Regulation of PTEN stability and activity","Signalling to RAS","Regulation of TP53 Activity through Phosphorylation","NGF-independant TRKA activation","FGFR3 mutant receptor activation","FCGR3A-med
iated phagocytosis","Prolonged ERK activation events","Signaling by activated point mutants of FGFR1","Trafficking of GluR2-containing AMPA receptors","Nef and signal transduction","Separation of Sist
er Chromatids","Sema4D mediated inhibition of cell attachment and migration","TRIF(TICAM1)-mediated TLR4 signaling","FCGR3A-mediated IL10 synthesis","Transcription of the HIV genome","MAP kinase activ
ation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","PI3K Cascade","Loss of proteins required for interphase microtubule organization from the centr
osome","The phototransduction cascade","p38MAPK events","Signaling by activated point mutants of FGFR3","ARMS-mediated activation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","HIV Transcrip
tion Elongation","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","Loss of Nlp from mitotic centrosomes",Inactivation,"recovery and regulation of the phototran
sduction cascade","Tat-mediated elongation of the HIV-1 transcript","CREB phosphorylation","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1108743-60-7,1108743607,"1108743 60 7",NMS-E628,NMSE628,"NMS E628",RXDX-101,RXDX101,"RXDX 101","Entrectinib (RXDX-101)","Entrectinib (RXDX101)","Entrectinib (RXDX 101)",Rozlytrek,UNII-L5ORF0AN1I,UNII
L5ORF0AN1I,"UNII L5ORF0AN1I",L5ORF0AN1I,"Entrectinib (USAN:INN)","Rozlytrek (TN)",YMX,"Entrectinib, 95",Kinome_2659,Kinome2659,Kinome-2659,"Kinome 2659",Entrectinib(rxdx-101),Entrectinib(rxdx101),"Ent
rectinib(rxdx 101)","Entrectinib; NMS-E628","Entrectinib; NMSE628","Entrectinib; NMS E628","Entrectinib (JA",T3678,Entrectinib}

> <pdid>
PD012826

> <targets>
{"Trk receptor",ALK,ROS1,TrkA,TrkB,TrkC,Autophagy,ROS,"Trk Receptor"}

> <classes>
{Angiogenesis,Immunology/Inflammation,Tyrosine Kinase/Adaptors,Autophagy,Neuronal Signaling,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{25141092}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    5.1981    0.0008    0.0000 C   0  0
    3.8990   -0.7492    0.0000 O   0  0
    2.5988    0.0004    0.0000 C   0  0
    2.5983    1.5004    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2636    2.2496    0.0000 C   0  0
   -2.5801   -0.0303    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 C   0  0
    1.2991   -5.2500    0.0000 C   0  0
    2.5981   -4.5000    0.0000 C   0  0
    2.5981   -6.0000    0.0000 C   0  0
    2.5981   -7.5000    0.0000 C   0  0
    1.2991   -8.2500    0.0000 C   0  0
    1.2991   -9.7500    0.0000 C   0  0
    2.5800   -8.9695    0.0000 C   0  0
    1.2639  -11.2496    0.0000 C   0  0
    0.0000  -10.5000    0.0000 C   0  0
    0.0000  -12.0000    0.0000 O   0  0
   -1.2990   -9.7500    0.0000 C   0  0
   -1.2990   -8.2500    0.0000 C   0  0
    0.0000   -7.5000    0.0000 C   0  0
   -1.2990   -6.7500    0.0000 C   0  0
   -2.5988  -10.5004    0.0000 C   0  0
   -3.8978  -11.2504    0.0000 N   0  0
    1.2990   -3.7500    0.0000 C   0  0
    1.2990   -2.2500    0.0000 C   0  0
    2.5981   -3.0000    0.0000 C   0  0
    2.5981   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 12  5  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  3
 29 30  1  0
 30 17  1  0
 30 22  1  0
 30 31  1  0
 28 32  1  0
 32 33  3  0
 18 34  1  0
 34 13  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37  5  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15854

> <plate>
PLATE 007

> <well>
H10

> <supplier_cmpd_name>
Bardoxolone Methyl

> <ctcr_id>
110

> <supplier_cmpd_id>
T6165

> <smiles>
COC(=O)C12CCC(C)(C)CC1C3C(=O)C=C4C(C)(CCC5C(C)(C)C(=O)C(=CC45C)C#N)C3(C)CC2

> <pd_targets>
{USP7,PPARG,USP2,NFE2L2,MBOAT4,STAT3,KEAP1,IKBKB}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein",Protease,"Nuclear receptor",Transferase,Kinase,"Cysteine protease","Nuclear hormone receptor subfamily 1","Protein Kinase","Cysteine protease CA c
lan","Nuclear hormone receptor subfamily 1 group C","Other protein kinase group","Cysteine protease C19 family","Nuclear hormone receptor subfamily 1 group C member 3","Other protein kinase IKK family
"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Nuclear hormone receptors","Peptidases and proteinases","Transcription factors","Catalytic receptors","1C. Peroxisome proliferator-activated receptors","CA:
 Cysteine (C) Peptidases","Basic leucine zipper domain TFs","STAT transcription factors","Receptor kinases","C19: Ubiquitin-specific protease","Other protein kinases","IKK family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins",Disease,"Immune System","RNA Polymerase II Transcription","Peptide hormone metabolism","Diseases of signal transduction by growth factor rec
eptors and second messengers","Innate Immune System","Generic Transcription Pathway",Synthesis,secretion,"and deacylation of Ghrelin","Signaling by FGFR in disease","Toll-like Receptor Cascades","Tran
scriptional Regulation by TP53","Transcriptional Regulation by MECP2","Signaling by FGFR1 in disease","Toll Like Receptor 4 (TLR4) Cascade","Regulation of TP53 Activity","MECP2 regulates transcription
 factors","FGFR1 mutant receptor activation","MyD88-independent TLR4 cascade","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","TRIF(TICAM1)-mediated TLR4 
signaling","Regulation of TP53 Degradation","IKK complex recruitment mediated by RIP1"}

> <broad_targets>
{PPARG,STAT3}

> <broad_moa>
{"nuclear factor erythroid derived","like (NRF2) activator"}

> <synonyms>
{"Bardoxolone methyl",218600-53-4,218600534,CHEMBL1984993,SB23234,LS-15334,LS15334,SY039275,DB-066645,DB066645,FT-0664417,FT0664417,SW220004-1,SW2200041,"2-Cyano-3,12-dioxo-oleana-1,9(11)-dien-28-oic 
acid methyl ester","2Cyano3,12dioxooleana1,9(11)dien28oic acid methyl ester",T6165,S8078,"Bardoxolone Methyl"}

> <pdid>
PD003406

> <targets>
{I?B/IKK}

> <classes>
{NF-?B}

> <pubchem_cids>
{53315588}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    6.4983   -0.7414    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 N   0  0
    0.0049   -5.9994    0.0000 C   0  0
    0.0102   -7.4994    0.0000 C   0  0
    1.3118   -8.2449    0.0000 C   0  0
    1.3170   -9.7449    0.0000 F   0  0
    2.6082   -7.4904    0.0000 C   0  0
    3.9099   -8.2359    0.0000 O   0  0
    2.6030   -5.9904    0.0000 C   0  0
    3.8995   -5.2359    0.0000 F   0  0
    1.3014   -5.2449    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
 26 18  1  0
 16 27  1  0
 27 28  2  0
 28  6  1  0
 28 13  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15855

> <plate>
PLATE 007

> <well>
H11

> <supplier_cmpd_name>
BI-D1870

> <ctcr_id>
4314

> <supplier_cmpd_id>
T6171

> <smiles>
CC(C)CCN1C(C)C(=O)N(C)c2cnc(Nc3cc(F)c(O)c(F)c3)nc12

> <pd_targets>
{RPS6KA6,CSNK1A1,RPS6KA1,RPS6KA2,RPS6KA3,JAK2,VRK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","CK1 protein kinase group","TK protein kinase group","AGC protein kinase RSK family","CK1 protein kinase CK1 family","Tyrosine protein kinase
 JakA family","CK1 protein kinase VRK family","AGC protein kinase RSK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase 1","Receptor kinases","RSK family","Casein kinase 1 (CK1) family","TK: Tyro
sine kinase","Vaccina related kinase (VRK) family","RSK subfamily","Non-receptor tyrosine kinases (nRTKs)","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Neuronal System",Disease,"Immune System","Cell Cycle","Transmission across Chemical Synapses","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System
",Mitotic,"Neurotransmitter receptors and postsynaptic signal transmission","Signaling by WNT in cancer","Toll-like Receptor Cascades","Mitotic G1 phase and G1/S transition","M Phase","Activation of N
MDA receptors and postsynaptic events","Signaling by AMER1 mutants","Toll Like Receptor 5 (TLR5) Cascade","G1 Phase","Mitotic Metaphase and Anaphase","Post NMDA receptor activation events","Truncation
s of AMER1 destabilize the destruction complex","MyD88 cascade initiated on plasma membrane","Cyclin D associated events in G1","Mitotic Anaphase","CREB1 phosphorylation through NMDA receptor-mediated
 activation of RAS signaling","MAP kinase activation","Nuclear Envelope (NE) Reassembly","RSK activation","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Re
formation","CREB phosphorylation"}

> <broad_targets>
{RPS6KA1,RPS6KA2,RPS6KA3,RPS6KA6}

> <broad_moa>
{"ribosomal protein inhibitor"}

> <synonyms>
{BI-D1870,BID1870,501437-28-1,501437281,C19H23F2N5O2,cc-687,cc687,CHEMBL573107,GTPL8038,SCHEMBL13881333,BDBM25017,DTXSID40648506,SYN1020,BCPP000343,HMS3244C11,HMS3244C12,HMS3244D11,HMS3651D17,HMS3674C
15,BCP01977,EX-A2471,EXA2471,ABP000282,BI-D-1870,MFCD11223662,NSC747342,s2,T6171,SY-BI-D1870,S2843}

> <pdid>
PD003280

> <targets>
{RSK,"S6 Kinase"}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{25023738}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
   -6.5529  -10.5899    0.0000 C   0  0
   -5.0856  -10.2783    0.0000 N   0  0
   -4.0821  -11.3932    0.0000 C   0  0
   -2.6148  -11.0816    0.0000 C   0  0
   -2.1509   -9.6551    0.0000 N   0  0
   -3.1545   -8.5402    0.0000 C   0  0
   -4.6218   -8.8518    0.0000 C   0  0
   -0.6835   -9.3403    0.0000 C   0  0
    0.3219  -10.4535    0.0000 O   0  0
   -0.2222   -7.9149    0.0000 C   0  0
    1.2028   -7.4466    0.0000 C   0  0
    2.4192   -8.3243    0.0000 C   0  0
    1.1979   -5.9466    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 O   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -1.3010    3.7516    0.0000 C   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -3.9027    5.2517    0.0000 C   0  0
   -5.2032    5.9990    0.0000 C   0  0
   -6.5007    5.2464    0.0000 C   0  0
   -6.4977    3.7464    0.0000 C   0  0
   -7.7952    2.9937    0.0000 Cl  0  0
   -5.1971    2.9990    0.0000 C   0  0
   -1.1079   -6.7042    0.0000 C   0  0
   -2.6079   -6.7003    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 16  1  0
 25 20  1  0
 23 26  1  0
 26 27  2  0
 26 28  2  0
 26 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 37 31  1  0
 14 38  2  0
 38 10  1  0
 38 39  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15856

> <plate>
PLATE 008

> <well>
A2

> <supplier_cmpd_name>
SU11274

> <ctcr_id>
4849

> <supplier_cmpd_id>
T6154

> <smiles>
CN1CCN(CC1)C(=O)c2c(C)[nH]c(C=C3C(=O)Nc4ccc(cc34)[S](=O)(=O)N(C)c5cccc(Cl)c5)c2C

> <pd_targets>
{PTK2B,RORC,MET,RECQL,CCNE1,CDK2,KMT2A,MEN1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator",Kinase,"Nuclear receptor",Reader,"Protein Kinase","Nuclear hormone receptor subfamily 1",Bromodomain,"TK protein kinase group","Nuclear hormone re
ceptor subfamily 1 group F","CMGC protein kinase group","Tyrosine protein kinase Fak family","Nuclear hormone receptor subfamily 1 group F member 3","Tyrosine protein kinase Met family","CMGC protein 
kinase CDK family","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Nuclear hormone receptors","Receptor kinases","1F. Retinoic acid-related orphans","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kin
ases (RTKs)","Fak family","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)","Developmental Biology","Cytokine Signaling in Immune system","RNA Polymerase II Transcription","Nervous system development","Signaling by Interleuki
ns","Generic Transcription Pathway","Axon guidance","Interleukin-2 family signaling","Transcriptional regulation by RUNX3","Semaphorin interactions","Interleukin-2 signaling","RUNX3 Regulates Immune R
esponse and Cell Migration","Sema4D in semaphorin signaling","Sema4D mediated inhibition of cell attachment and migration"}

> <broad_targets>
{MET}

> <broad_moa>
{"hepatocyte growth factor receptor inhibitor","tyrosine kinase inhibitor"}

> <synonyms>
{U11274(PKISU11274,HMS3295E03,HMS3654C17,NCGC00165902-02,NCGC0016590202,FT-0700347,FT0700347,SW219453-1,SW2194531,Q27163250,T6154,"EMD 448101",S1080,SU11274,448101,SU11274(PKI-SU11274),"SU 11274"}

> <pdid>
PD003569

> <targets>
{c-Met,c-MET}

> <classes>
{}

> <pubchem_cids>
{53396327}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    7.7882   -3.0088    0.0000 C   0  0
    6.4894   -3.7592    0.0000 C   0  0
    6.4889   -5.2601    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Br  0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.2941   -3.7521    0.0000 C   0  0
   -0.0063   -4.4998    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4837   -8.2663    0.0000 C   0  0
    6.4785   -9.7663    0.0000 C   0  0
    5.1769  -10.5118    0.0000 C   0  0
    3.8804   -9.7573    0.0000 C   0  0
    3.8856   -8.2573    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 10  1  0
  8 17  1  0
 17 18  3  0
  4 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15857

> <plate>
PLATE 008

> <well>
A3

> <supplier_cmpd_name>
Degrasyn

> <ctcr_id>
850

> <supplier_cmpd_id>
T6300

> <smiles>
CCCC(NC(=O)C(=Cc1cccc(Br)n1)C#N)c2ccccc2

> <pd_targets>
{USP9X,UCHL1,USP5}

> <pathway_gtopdb>
{Enzyme,Protease,"Cysteine protease","Cysteine protease CA clan","Cysteine protease C19 family","Cysteine protease C12 family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","CA: Cysteine (C) Peptidases","C12: Ubiquitin C-terminal hydrolase","C19: Ubiquitin-specific protease"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins","RNA Polymerase II Transcription","Post-translational protein modification","Generic Transcription Pathway",Deubiquitination,"Transcriptiona
l activity of SMAD2/SMAD3:SMAD4 heterotrimer","UCH proteinases","Ub-specific processing proteases","Downregulation of SMAD2/3:SMAD4 transcriptional activity"}

> <broad_targets>
{JAK2,UCHL5,USP14,USP9X}

> <broad_moa>
{"deubiquitinase inhibitor"}

> <synonyms>
{CHEMBL2138527,HMS3655P14,BCP02590,T6300,S2243,Degrasyn,WP1130,"Degrasyn (WP1130)"}

> <pdid>
PD003660

> <targets>
{DUB,Bcr-Abl}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{72757535}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 34 38  0  0  0  0            999 V2000
    0.1101  -10.6547    0.0000 O   0  0
   -0.4306   -9.2556    0.0000 C   0  0
   -1.9127   -9.0248    0.0000 O   0  0
    0.5116   -8.0874    0.0000 C   0  0
    1.9941   -8.3161    0.0000 C   0  0
    2.9334   -7.1466    0.0000 C   0  0
    2.3903   -5.7483    0.0000 C   0  0
    3.3277   -4.5763    0.0000 N   0  0
    2.7822   -3.1780    0.0000 C   0  0
    3.7175   -2.0053    0.0000 N   0  0
    3.1695   -0.6090    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 N   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1695   -0.6090    0.0000 C   0  0
   -3.7175   -2.0053    0.0000 C   0  0
   -5.2007   -2.2289    0.0000 Cl  0  0
   -2.7822   -3.1781    0.0000 C   0  0
   -1.2990   -2.9545    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.2990   -2.9545    0.0000 N   0  0
   -2.5248    2.0134    0.0000 C   0  0
   -2.2261    3.4874    0.0000 C   0  0
   -0.8038    3.9639    0.0000 F   0  0
   -3.3495    4.4814    0.0000 C   0  0
   -4.7720    4.0055    0.0000 C   0  0
   -5.0711    2.5356    0.0000 C   0  0
   -3.9477    1.5416    0.0000 C   0  0
   -4.2488    0.0721    0.0000 F   0  0
    0.9077   -5.5197    0.0000 C   0  0
   -0.0316   -6.6892    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  2  0
 22 16  1  0
 22 23  1  0
 23 12  1  0
 23 24  2  0
 24  9  1  0
 15 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 25  1  0
 31 32  1  0
  7 33  1  0
 33 34  2  0
 34  4  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15858

> <plate>
PLATE 008

> <well>
A4

> <supplier_cmpd_name>
MLN8054

> <ctcr_id>
2454

> <supplier_cmpd_id>
T6315

> <smiles>
OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4c3n2)c5c(F)cccc5F)cc1

> <pd_targets>
{AURKA,BTK,CLK3,SRC,EPHA4,PTK2,FGFR1,AURKB,FGFR3,FLT4,LYN,TIE1,NTRK3,AXL,EPHB3,ABL1,EGFR,FYN,EPHA3,EPHA5,ROS1,TYRO3,EPHA7,FLT1,MERTK,BLK,EPHB1,LCK,PDGFRA,EPHA1,PLK1,ABL2,FGFR2,PLK4,STK17A,IRAK3,EPHA6,
RPS6KA1,CSNK2A1,CHEK2,YES1,CLK2,AURKC,TEC,HCK,STK17B,BMX,STK10,TNK1,GRK5,CSK,MAPKAPK5,DDR1,EPHB4,FER,PLK3,TEK,EPHA2,FLT3,DAPK2,PTK2B,SIK1,KDR,GABRA1,FGR,MELK,MKNK2,PDPK1,CLK4,PAK1}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Ligand-gated ion channel","Protein Kinase","GABA-A receptor","Other protein kinase group","TK protein kinase group","CMGC protein kinase group","CAMK protein kinase group
","TKL protein kinase group","AGC protein kinase group","STE protein kinase group","Other protein kinase AUR family","Tyrosine protein kinase Tec family","CMGC protein kinase CLK family","Tyrosine pro
tein kinase Src family","Tyrosine protein kinase Eph family","Tyrosine protein kinase Fak family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase 
Tie family","Tyrosine protein kinase Trk family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Abl family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Sev family","T
yrosine protein kinase PDGFR family","Other protein kinase PLK family","CAMK protein kinase DAPK family","TKL protein kinase IRAK family","AGC protein kinase RSK family","Other protein kinase CK2 fami
ly","CAMK protein kinase RAD53 family","STE protein kinase STE20 family","Tyrosine protein kinase Ack family","AGC protein kinase GRK family","Tyrosine protein kinase Csk family","CAMK protein kinase 
MAPKAPK family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Fer family","CAMK protein kinase CAMK1 family","AGC protein kinase PDK1 subfamily","Tyrosine protein kinase SrcA","AGC pro
tein kinase RSK subfamily","STE protein kinase SLK subfamily","AGC protein kinase GRK subfamily","CAMK protein kinase MAPKAPK subfamily","CAMK protein kinase QIK subfamily","CAMK protein kinase MELK s
ubfamily","CAMK protein kinase MNK subfamily","STE protein kinase PAKA subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Catalytic receptors","Kinases (EC 2.7.x.x)","Ligand-gated ion channels","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-
dependent protein kinases","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","GABA<sub>A</sub> receptors","Other protein kinases","TK: Tyros
ine kinase","CLK family","Death-associated kinase (DAPK) family","TKL: Tyrosine kinase-like","RSK family","CAMK-like (CAMKL) family","STE20 family","G protein-coupled receptor kinases (GRKs)","MAPK-Ac
tivated Protein Kinase (MAPKAPK) family","PDK1 family","Aurora kinase (Aur) family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Polo-like kinase (PLK) family","Interleu
kin-1 receptor-associated kinase (IRAK) family","RSK subfamily","Casein kinase 2 (CK2) family","CHK1 subfamily","SLK subfamily","GRK4 subfamily","MAPKAPK subfamily","QIK subfamily","MELK subfamily","M
KN subfamily","PAKA subfamily","Tec family","Src family","Type XIII RTKs: Ephrin receptor family","Fak family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type IV RTKs: VEGF (vascul
ar endothelial growth factor) receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Type VII RTKs: Neurotrophin receptor/Trk family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) rec
eptor family","Abl family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XVII RTKs: ROS receptors","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Ack family","Csk family
","Type XVI RTKs: DDR (collagen receptor) family","Fer family"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Signal Transduction","Developmental Biology","Cell Cycle",Hemostasis,"Immune System",Metabolism,"Extracellular matrix organization","Programmed Cell Death",
"Circadian Clock","Neuronal System","RNA Polymerase II Transcription","Infectious disease","Signaling by Receptor Tyrosine Kinases","Nervous system development","Diseases of signal transduction by gro
wth factor receptors and second messengers",Mitotic,"Signaling by GPCR","Cell surface interactions at the vascular wall","Innate Immune System","Cytokine Signaling in Immune system","Metabolism of lip
ids","Non-integrin membrane-ECM interactions","MAPK family signaling cascades",Apoptosis,"Transmission across Chemical Synapses","Generic Transcription Pathway","Leishmania infection","Signaling by NT
RKs","Axon guidance","Signaling by FGFR in disease","M Phase","Signaling by VEGF","GPCR downstream signalling","HIV Infection","Signaling by PDGFR in disease","Mitotic G2-G2/M phases","Toll-like Recep
tor Cascades","Signaling by Interleukins","Phospholipid metabolism","Neutrophil degranulation","Oncogenic MAPK signaling","Signaling by SCF-KIT","MAPK1/MAPK3 signaling","Signaling by Insulin receptor"
,"Caspase activation via extrinsic apoptotic signalling pathway","Neurotransmitter receptors and postsynaptic signal transmission","Transcriptional Regulation by TP53","Parasite infection","Signaling 
by NTRK1 (TRKA)","EPH-Ephrin signaling","Signaling by FGFR1 in disease","Mitotic Metaphase and Anaphase","Signaling by FGFR3 in disease","VEGF ligand-receptor interactions","Leishmania parasite growth
 and survival","Signaling by NTRK3 (TRKC)","VEGFA-VEGFR2 Pathway","G alpha (q) signalling events","Host Interactions of HIV factors","Transcriptional regulation by RUNX1","Drug resistance of PDGFR mut
ants","G2/M Transition","Signaling by ROBO receptors","Signaling by FGFR2 in disease","Toll Like Receptor 2 (TLR2) Cascade","Toll Like Receptor 5 (TLR5) Cascade",Interleukin-3,"Interleukin-5 and GM-CS
F signaling","PI Metabolism","Signaling by RAS mutants","RAF/MAP kinase cascade","Insulin receptor signalling cascade","Caspase activation via Dependence Receptors in the absence of ligand","Interleuk
in-2 family signaling","GABA receptor activation","Regulation of TP53 Activity","Leishmania phagocytosis","Signalling to ERKs","EPHA-mediated growth cone collapse","FGFR1 mutant receptor activation","
Mitotic Anaphase","Signaling by FGFR3 point mutants in cancer","VEGF binds to VEGFR leading to receptor dimerization","Anti-inflammatory response favouring Leishmania parasite infection","Activated NT
RK3 signals through PI3K","EPHB-mediated forward signaling","Gastrin-CREB signalling pathway via PKC and MAPK","The role of Nef in HIV-1 replication and disease pathogenesis","RUNX1 regulates transcri
ption of genes involved in BCR signaling","Imatinib-resistant PDGFR mutants","Centrosome maturation","Role of ABL in ROBO-SLIT signaling","FGFR2 mutant receptor activation","Toll Like Receptor TLR6:TL
R2 Cascade","MyD88 cascade initiated on plasma membrane","Synthesis of PIPs at the plasma membrane","Signaling downstream of RAS mutants","IRS-mediated signalling","Interleukin-2 signaling","VEGFR2 me
diated cell proliferation","Regulation of TP53 Activity through Phosphorylation","FCGR3A-mediated phagocytosis","Signalling to RAS","Signaling by activated point mutants of FGFR1","Separation of Siste
r Chromatids","FGFR3 mutant receptor activation","FCGR3A-mediated IL10 synthesis","EGFR Transactivation by Gastrin","Nef and signal transduction","Nef-mediates down modulation of cell surface receptor
s by recruiting them to clathrin adapters","Loss of proteins required for interphase microtubule organization from the centrosome","Activated point mutants of FGFR2","MyD88:MAL(TIRAP) cascade initiate
d on plasma membrane","MAP kinase activation","Regulation of TP53 Expression and Degradation","PI3K Cascade","p38MAPK events","Signaling by activated point mutants of FGFR3","Nef Mediated CD4 Down-reg
ulation","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","CREB phosphorylation"}

> <broad_targets>
{AURKA}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{NCGC00346488-01,NCGC0034648801,NCGC00346488-06,NCGC0034648806,MLN8054,869363-13-3,869363133,MLN-8054,"MLN 8054",UNII-BX854EHD63,UNIIBX854EHD63,BX854EHD63,CHEMBL259084,ZZL,Kinome_1204,Kinome1204,Kinom
e-1204,"Kinome 1204",cc-475,cc475,MLS006011043,C25H15ClF2N4O2,SCHEMBL621589,GTPL5696,BDBM31093,CHEBI:91366,DTXSID10235987,cid_11712649,cid11712649,cid-11712649,"cid 11712649",HMS3265K23,T6315,S1100}

> <pdid>
PD011139

> <targets>
{"Aurora Kinase"}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{11712649}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 29  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -7.7851   -3.0136    0.0000 Br  0  0
   -9.0919   -0.7681    0.0000 C   0  0
  -10.3884   -1.5226    0.0000 C   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -7.8090    2.9872    0.0000 O   0  0
   -9.1125    3.7312    0.0000 C   0  0
   -9.1208    5.2320    0.0000 C   0  0  2  0  0  0
  -10.4224    5.9775    0.0000 C   0  0
  -10.4277    7.4775    0.0000 N   0  0
   -9.1313    8.2321    0.0000 C   0  0
   -7.8297    7.4866    0.0000 C   0  0
   -7.8244    5.9866    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 10  1  0
 17 18  1  0
 18 19  1  0
 20 19  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
  5 26  1  0
 26 27  2  0
 27  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15859

> <plate>
PLATE 008

> <well>
A5

> <supplier_cmpd_name>
Rabusertib

> <ctcr_id>
7524

> <supplier_cmpd_id>
T6084

> <smiles>
Cc1cnc(NC(=O)Nc2cc(Br)c(C)cc2OC[C@@H]3CNCCO3)cn1

> <pd_targets>
{CHEK1,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","CAMK protein kinase group","Voltage-gated potassium channel","CAMK protein kinase CAMK1 family","CAMK pr
otein kinase CHK1 subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","CAMK: Calcium/calmodulin-dependent protein kinases","Potassium channels","CAMK-like (CAMKL) family","Voltage-gated potassiu
m channels","CHK1 subfamily"}

> <pathway_reactome>
{"DNA Repair","Muscle contraction","DNA Double-Strand Break Repair","Cardiac conduction","Homology Directed Repair","Phase 3 - rapid repolarisation","HDR through Homologous Recombination (HRR) or Sing
le Strand Annealing (SSA)","HDR through Homologous Recombination (HRR)","Homologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{CHEK1}

> <broad_moa>
{"CHK inhibitor"}

> <synonyms>
{Rabusertib,LY2603618,911222-45-2,911222452,"LY 2603618",LY-2603618,IC-83,IC83,UNII-3S9L1NU6U7,UNII3S9L1NU6U7,"ly2603618  IC-83","ly2603618  IC83","Rabusertib (LY2603618)",3S9L1NU6U7,"Rabusertib (USAN
:INN)",LY2603618(IC-83),LY2603618(IC83),"LY2603618 (IC-83)","LY2603618 (IC83)","Rabusertib (USAN/INN)",cc-579,cc579,MLS006011026,SCHEMB,S2626}

> <pdid>
PD010913

> <targets>
{Chk}

> <classes>
{}

> <pubchem_cids>
{11955855}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    5.8249    2.8874    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.3339   -2.5831    0.0000 C   0  0
   -4.8256   -2.7399    0.0000 C   0  0
   -5.7073   -1.5264    0.0000 C   0  0
   -5.0972   -0.1561    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1845    2.6395    0.0000 C   0  0
   -2.1785    3.7532    0.0000 C   0  0
   -2.6367    5.1815    0.0000 C   0  0
   -1.6289    6.2925    0.0000 C   0  0
   -0.1628    5.9753    0.0000 C   0  0
    0.2955    4.5470    0.0000 C   0  0
   -0.7123    3.4360    0.0000 C   0  0
    0.8478    7.0848    0.0000 C   0  0
    0.3920    8.5139    0.0000 O   0  0
    2.3142    6.7653    0.0000 N   0  0
    3.3243    7.8743    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  3  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15  6  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 20 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15860

> <plate>
PLATE 008

> <well>
A6

> <supplier_cmpd_name>
Tubastatin A HCl

> <ctcr_id>
726

> <supplier_cmpd_id>
T6161

> <smiles>
Cl.CN1CCc2c(C1)c3ccccc3n2Cc4ccc(cc4)C(=O)NO

> <pd_targets>
{HDAC1,HDAC9,HDAC3,HDAC8,NCOR2,HDAC6,HDAC11,HDAC10,HDAC2,HDAC7,HDAC5,HDAC4}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIa","HDAC class IIb","HDAC class IV"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Cell Cycle","Gene expression (Transcription)","Disorders of Developmental Biology","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"RNA Polymerase 
II Transcription","Disorders of Nervous System Development","Signaling by NOTCH1 in Cancer","M Phase","Generic Transcription Pathway","Pervasive developmental disorders","Signaling by NOTCH1 HD+PEST D
omain Mutants in Cancer","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX2","Transcriptional Regulation by TP53","Loss of function of MECP2 in Rett syndrome","Constitutive Signalin
g by NOTCH1 HD+PEST Domain Mutants","Mitotic Anaphase","RUNX2 regulates bone development","Regulation of TP53 Activity","Loss of MECP2 binding ability to 5mC-DNA","Loss of MECP2 binding ability to the
 NCoR/SMRT complex","Separation of Sister Chromatids","RUNX2 regulates osteoblast differentiation","Regulation of TP53 Activity through Acetylation","RUNX2 regulates chondrocyte maturation"}

> <broad_targets>
{HDAC6}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{"Tubastatin A HCl","Tubastatin A hydrochloride",1310693-92-5,1310693925,"Tubastatin A (Hydrochloride)",UHCM2AYJVX,UNII-UHCM2AYJVX,UNIIUHCM2AYJVX,"1310693-92-5 (HCl)","1310693925 (HCl)",1239262-52-2,1
239262522,C20H22ClN3O2,"Tubastatin A HCl salt",cc-256,cc256,CHEMBL3770936,SCHEMBL18526698,AOB6360,E,T6161,S2627}

> <pdid>
PD003582

> <targets>
{HDAC}

> <classes>
{Epigenetics}

> <pubchem_cids>
{57336514}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 35  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -5.2060    2.9909    0.0000 Cl  0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 N   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 N   0  0
   -2.6016    7.4994    0.0000 C   0  0
   -3.8996    8.2512    0.0000 O   0  0
   -1.3011    8.2485    0.0000 N   0  0
   -1.2986    9.7493    0.0000 C   0  0
    0.0020   10.4984    0.0000 C   0  0
    0.0045   11.9992    0.0000 C   0  0
    1.3050   12.7482    0.0000 C   0  0
    1.3076   14.2491    0.0000 C   0  0
    2.6081   14.9981    0.0000 C   0  0
    2.6106   16.4989    0.0000 C   0  0
    1.3126   17.2507    0.0000 O   0  0
    3.9111   17.2480    0.0000 N   0  0
    3.9137   18.7480    0.0000 O   0  0
  1  2  2  3
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  3
 13  8  1  0
 13 14  1  0
  7 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 15  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15861

> <plate>
PLATE 008

> <well>
A7

> <supplier_cmpd_name>
Citarinostat

> <ctcr_id>
11491

> <supplier_cmpd_id>
T3661

> <smiles>
C1=CC=C(C=C1)N(C2=CC=CC=C2Cl)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO

> <pd_targets>
{HDAC6,HDAC1,HDAC3,HDAC2,HDAC8}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class IIb","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Cell Cycle","RNA Polymerase II Transcription","Disorders of Developmental Biology",Mitotic,"Generic Transcription Pathway","Disorders of Nervous System Deve
lopment","M Phase","Transcriptional regulation by RUNX2","Pervasive developmental disorders","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","RUNX2 regulates bone development","L
oss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Mitotic Anaphase","RUNX2 regulates osteoblast differentiation","Loss of MECP2 binding ability to 5mC-DNA","Loss of MECP2 bindi
ng ability to the NCoR/SMRT complex","Regulation of TP53 Activity through Acetylation","Separation of Sister Chromatids"}

> <broad_targets>
{}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Citarinostat,ACN-030404,ACN030404,CCG-269430,CCG269430,CS-5140,CS5140,DB15449,SB18732,"Compound (I) (WO2016200919)",AC-33086,AC33086,AK160199,AS-74355,AS74355,HY-15994,HY15994,B5936,FT-0700440,FT0700
440,D10918,J-690128,J690128,J-690129,J690129,Q27258687,1316215-12-9,1316215129,HDAC-IN-2,HDACIN2,ACY-241,ACY241,UNII-441P620G3P,UNII441P620G3P,441P620G3P,T3661}

> <pdid>
PD053885

> <targets>
{HDAC1,HDAC2,HDAC3,HDAC6,HDAC8}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{53340426}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    6.8045   -9.6371    0.0000 C   0  0
    5.3133   -9.7986    0.0000 C   0  0
    4.4265   -8.5878    0.0000 O   0  0
    2.9344   -8.7494    0.0000 C   0  0
    2.3291  -10.1219    0.0000 O   0  0
    2.0491   -7.5407    0.0000 N   0  0
    0.5491   -7.5433    0.0000 C   0  0
    0.0831   -6.1175    0.0000 C   0  0
    1.2951   -5.2556    0.0000 C   0  0
    2.5102   -6.1133    0.0000 C   0  0
    1.2956   -3.7547    0.0000 C   0  0
   -0.0035   -3.0031    0.0000 N   0  0
   -0.0046   -1.5023    0.0000 C   0  0
    1.2941   -0.7500    0.0000 C   0  0
    1.2950    0.7500    0.0000 C   0  0
    2.5945    1.4992    0.0000 C   0  0
    3.8931    0.7484    0.0000 C   0  0
    3.8921   -0.7516    0.0000 C   0  0
    2.5926   -1.5008    0.0000 C   0  0
    5.1926    1.4975    0.0000 Cl  0  0
   -1.3021   -3.7554    0.0000 C   0  0
   -2.6034   -3.0076    0.0000 C   0  0
   -3.9548   -3.6286    0.0000 C   0  0
   -4.9585   -2.5139    0.0000 C   0  0
   -4.2085   -1.2149    0.0000 C   0  0
   -2.7413   -1.5267    0.0000 S   0  0
   -4.8151    0.1551    0.0000 N   0  3
   -3.9317    1.3673    0.0000 O   0  0
   -6.3066    0.3145    0.0000 O   0  5
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  6  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 12 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 22  1  0
 25 27  1  0
 27 28  2  0
 27 29  1  0
M  CHG  2  27   1  29  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15862

> <plate>
PLATE 008

> <well>
A8

> <supplier_cmpd_name>
SR9009

> <ctcr_id>
11492

> <supplier_cmpd_id>
T3685

> <smiles>
CCOC(=O)N1CCC(C1)CN(Cc1ccc(cc1)Cl)Cc1ccc(s1)[N+](=O)[O-]

> <pd_targets>
{NR1H3,NR1D2,NR1D1}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group H","Nuclear hormone receptor subfamily 1 group D","Nuclear hormone recepto
r subfamily 1 group H member 3","Nuclear hormone receptor subfamily 1 group D member 2","Nuclear hormone receptor subfamily 1 group D member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1H. Liver X receptor-like receptors","1D. Rev-Erb receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)","Post-translational protein modification","RNA Polymerase II Transcription",SUMOylation,"Generic Transcription Pathway","SUMO E3 ligases SUM
Oylate target proteins","Nuclear Receptor transcription pathway","SUMOylation of intracellular receptors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SR9009,1379686-30-2,1379686302,SR-9009,"Stenabolic (SR9009)","SR 9009",CHEMBL1961796,GTPL8901,EX-A726,EXA726,BCP16215,BDBM50366238,MFCD29472236,s8692,AKOS027470307,CCG-269102,CCG269102,CS-4669,CS4669
,DB14013,SB19006,NCGC00384202-01,NCGC0038420201,AC-30219,AC30219,AK547297,AS-55859,AS55859,HY-16989,HY16989,J-690150,J690150,Q15410,T3685}

> <pdid>
PD012389

> <targets>
{Rev-ErbB¦Á,Rev-ErbB¦Â}

> <classes>
{Autophagy}

> <pubchem_cids>
{57394020}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -3.8995   -0.7554    0.0000 C   0  0
   -5.1990   -1.5062    0.0000 C   0  0
   -5.3394   -2.9868    0.0000 C   0  0
   -6.8072   -3.2961    0.0000 N   0  0
   -7.5550   -1.9958    0.0000 C   0  0
   -6.5493   -0.8828    0.0000 C   0  0
   -7.4218   -4.6625    0.0000 C   0  0
   -6.5444   -5.8791    0.0000 O   0  0
   -8.9149   -4.8147    0.0000 N   0  0
   -9.5306   -6.1834    0.0000 C   0  0
  -11.0236   -6.3355    0.0000 C   0  0
  -11.6393   -7.7043    0.0000 C   0  0
  -13.1324   -7.8564    0.0000 C   0  0
  -13.7477   -9.2244    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2044    2.9940    0.0000 C   0  0
   -6.4184    3.8531    0.0000 S   0  0
   -5.9558    5.2799    0.0000 C   0  0
   -4.4558    5.2809    0.0000 C   0  0
   -3.9914    3.8546    0.0000 C   0  0
   -6.8347    6.4933    0.0000 N   0  3
   -6.2235    7.8631    0.0000 O   0  0
   -8.3267    6.3382    0.0000 O   0  5
    2.5981   -1.5000    0.0000 Cl  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 10  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
  8 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 24  2  0
 26 29  1  0
 29 30  2  0
 29 31  1  0
  1 32  1  0
M  CHG  2  29   1  31  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15863

> <plate>
PLATE 008

> <well>
A9

> <supplier_cmpd_name>
SR9011

> <ctcr_id>
11493

> <supplier_cmpd_id>
T3688

> <smiles>
c1(ccc(cc1)CN(CC1CN(CC1)C(=O)NCCCCC)Cc1sc(cc1)[N+](=O)[O-])Cl

> <pd_targets>
{NR1H3,NR1D1,NR1D2}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group H","Nuclear hormone receptor subfamily 1 group D","Nuclear hormone recepto
r subfamily 1 group H member 3","Nuclear hormone receptor subfamily 1 group D member 1","Nuclear hormone receptor subfamily 1 group D member 2"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1H. Liver X receptor-like receptors","1D. Rev-Erb receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)","Post-translational protein modification","RNA Polymerase II Transcription",SUMOylation,"Generic Transcription Pathway","SUMO E3 ligases SUM
Oylate target proteins","Nuclear Receptor transcription pathway","SUMOylation of intracellular receptors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SR9011,SR-9011,1379686-29-9,1379686299,CHEMBL1961797,GTPL8900,BDBM50366239,CS-4668,CS4668,DB14014,SB19005,"SR 9011",NCGC00347956-01,NCGC0034795601,AK547296,AS-55867,AS55867,HY-16988,HY16988,Q15410183
,T3688}

> <pdid>
PD046925

> <targets>
{Rev-ErbB¦Á,Rev-ErbB¦Â,Others}

> <classes>
{Autophagy,Others}

> <pubchem_cids>
{57394021}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 48 47  0  0  1  0            999 V2000
   23.3928    4.4994    0.0000 C   0  0
   23.3959    2.9994    0.0000 C   0  0
   22.5308    2.4979    0.0000 C   0  0
   24.6967    2.2508    0.0000 C   0  0
   24.6998    0.7500    0.0000 C   0  0  2  0  0  0
   23.3998    0.0000    0.0000 N   0  0
   22.0998    0.7500    0.0000 C   0  0
   22.0998    1.7500    0.0000 O   0  0
   20.7998    0.0000    0.0000 C   0  0  2  0  0  0
   20.7998   -1.5000    0.0000 C   0  0
   19.4998    0.7500    0.0000 N   0  0
   18.1999    0.0000    0.0000 C   0  0
   18.1999   -1.5000    0.0000 O   0  0
   16.8999    0.7500    0.0000 C   0  0
   15.5999    0.0000    0.0000 C   0  0  2  0  0  0
   15.5999   -1.5000    0.0000 O   0  0
   14.2999    0.7500    0.0000 C   0  0  2  0  0  0
   14.2968    2.2508    0.0000 C   0  0
   12.9960    2.9994    0.0000 C   0  0
   12.9929    4.4994    0.0000 C   0  0
   12.1308    2.4979    0.0000 C   0  0
   12.9999    0.0000    0.0000 N   0  0
   11.6999    0.7500    0.0000 C   0  0
   11.6999    1.7500    0.0000 O   0  0
   10.3999    0.0000    0.0000 C   0  0  1  0  0  0
    9.0999    0.7500    0.0000 N   0  0
    7.7999    0.0000    0.0000 C   0  0
    7.7999   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0  1  0  0  0
    5.2000    0.0000    0.0000 N   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 C   0  0
    1.3000    2.2500    0.0000 C   0  0
    6.4969    2.2508    0.0000 C   0  0
    5.1968    2.9990    0.0000 C   0  0
    7.7946    3.0031    0.0000 C   0  0
   10.3968   -1.5008    0.0000 C   0  0
    9.0967   -2.2490    0.0000 C   0  0
   11.6946   -2.2531    0.0000 C   0  0
   25.9998    0.0000    0.0000 C   0  0  1  0  0  0
   25.9998   -1.5000    0.0000 O   0  0
   27.2998    0.7500    0.0000 C   0  0
   28.5998    0.0000    0.0000 C   0  0
   28.5998   -1.5000    0.0000 O   0  0
   29.8991    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  6
  9 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  6
 15 17  1  0
 17 18  1  1
 18 19  1  0
 19 20  1  0
 19 21  1  0
 17 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  6
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  1
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 29 37  1  0
 37 38  1  0
 37 39  1  0
 25 40  1  0
 40 41  1  0
 40 42  1  0
  5 43  1  0
 43 44  1  6
 43 45  1  0
 45 46  1  0
 46 47  1  0
 46 48  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15864

> <plate>
PLATE 008

> <well>
A10

> <supplier_cmpd_name>
Pepstatin

> <ctcr_id>
2776

> <supplier_cmpd_id>
T3695

> <smiles>
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O

> <pd_targets>
{CTSD,REN,PGA,PROTEASE,POL,CTSL,ADAM9,TDP1,SAP2,CTSB,CTSE,PGA5,RECQL}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Protease,Hydrolase,"Aspartic protease","Cysteine protease","Metallo protease","Aspartic protease AA clan","Cysteine protease PAC clan","Cysteine protease CA clan","Metal
lo protease MAM clan","Aspartic protease A1A subfamily","Cysteine protease C3A subfamily","Cysteine protease C1A family","Aspartic protease A2A subfamily","Metallo protease M12B subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","AA: Aspartic (A) Peptidases","CA: Cysteine (C) Peptidases","MA: Metallo (M) Peptidases","A1: Pepsin","C1: Papain","M12: Astacin/Adamalysin"}

> <pathway_reactome>
{"Signal Transduction","Metabolism of proteins",Disease,"Extracellular matrix organization","DNA Repair","Immune System","Signaling by Nuclear Receptors","Peptide hormone metabolism","Infectious disea
se","Degradation of the extracellular matrix","DNA Double-Strand Break Repair","Innate Immune System","Adaptive Immune System","Surfactant metabolism","ESR-mediated signaling","Metabolism of Angiotens
inogen to Angiotensins","SARS-CoV Infections","Collagen degradation","Nonhomologous End-Joining (NHEJ)","Toll-like Receptor Cascades","MHC class II antigen presentation","Estrogen-dependent gene expre
ssion","SARS-CoV-1 Infection","Trafficking and processing of endosomal TLR","Attachment and Entry"}

> <broad_targets>
{CTSB,CTSD,CTSL,REN}

> <broad_moa>
{"aspartic protease inhibitor"}

> <synonyms>
{"EINECS 247-600-0","EINECS 2476000",pepstatin,"Pepstatin A",26305-03-3,26305033,Pepstatine,"Ahpatinin C",Pepstatinum,Pepstatina,"Pepsin inhibitor S 735A","Procidin S 735A",UNII-V6Y2T27Q1U,UNIIV6Y2T27
Q1U,C34H63N5O9,Iva-Val-Val-Sta-Ala-Sta-OH,IvaValValStaAlaStaOH,MLS002222329,CHEMBL296588,V6Y2T27Q1U,39324-3,393243,T3695,Prestw-405,Pepstatin}

> <pdid>
PD013141

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5478883}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 25  0  0  1  0            999 V2000
   -3.3418   -4.9223    0.0000 C   0  0
   -3.3422   -3.4223    0.0000 C   0  0
   -2.4761   -2.9224    0.0000 C   0  0
   -4.6416   -2.6714    0.0000 C   0  0
   -4.6420   -1.1706    0.0000 C   0  0  1  0  0  0
   -5.9406   -0.4182    0.0000 C   0  0
   -5.9379    1.0818    0.0000 O   0  0
   -7.2420   -1.1658    0.0000 N   0  0
   -8.5406   -0.4135    0.0000 C   0  0
   -9.8420   -1.1611    0.0000 C   0  0
  -11.1406   -0.4088    0.0000 C   0  0
  -12.4419   -1.1564    0.0000 C   0  0
  -13.7406   -0.4040    0.0000 N   0  0
  -15.0419   -1.1517    0.0000 C   0  0
  -16.3398   -0.3997    0.0000 N   0  0
  -15.0446   -2.6517    0.0000 N   0  0
   -3.3407   -0.4229    0.0000 N   0  0
   -2.0420   -1.1753    0.0000 C   0  0
   -2.0438   -2.1753    0.0000 O   0  0
   -0.7500   -0.4330    0.0000 C   0  0  1  0  0  0
    0.7500   -0.4330    0.0000 C   0  0  1  0  0  0
    0.0000    0.8660    0.0000 O   0  0
    2.0388   -1.1808    0.0000 C   0  0
    2.0366   -2.6808    0.0000 O   0  0
    3.3392   -0.4332    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
  5 17  1  0
 17 18  1  0
 18 19  2  0
 20 18  1  6
 20 21  1  0
 21 22  1  0
 22 20  1  0
 21 23  1  1
 23 24  2  0
 23 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15865

> <plate>
PLATE 008

> <well>
A11

> <supplier_cmpd_name>
E-64

> <ctcr_id>
11494

> <supplier_cmpd_id>
T6037

> <smiles>
CC(C)C[C@@H](C(=O)NCCCCNC(=N)N)NC(=O)[C@H]1[C@@H](O1)C(=O)O

> <pd_targets>
{CTSC,CTSS,CTSL,CTSB,CTSK,RHODESAIN,CTSH,CAPN1,CAPN9,BLM,LMNA,MAPT,USP2,TSHR,CYP3A4}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Other cytosolic protein","Membrane receptor",Protease,Hydrolase,"Family A G protein-coupled receptor","Cytochrome P450","Cysteine protease","Peptide receptor (family A
 GPCR)","Cytochrome P450 family 3","Cysteine protease CA clan","Glycohormone receptor","Cytochrome P450 family 3A","Cysteine protease C1A family","Cysteine protease C2 family","Cysteine protease C19 f
amily","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Peptidases and proteinases","G protein-coupled receptors","Cytochrome P450","CA: Cysteine (C) Peptidases","Glycoprotein hormone receptors","CYP3 family","C1: Papain","C2: Calpain",
"C19: Ubiquitin-specific protease"}

> <pathway_reactome>
{"Metabolism of proteins","Immune System",Disease,"Gene expression (Transcription)","Extracellular matrix organization","DNA Repair","Cell Cycle","Neuronal System",Metabolism,"Post-translational prote
in modification","Adaptive Immune System","Infectious disease","Innate Immune System","RNA Polymerase II Transcription","Diseases of programmed cell death","Degradation of the extracellular matrix","D
NA Double-Strand Break Repair",Mitotic,"Transmission across Chemical Synapses","Metabolism of lipids","Asparagine N-linked glycosylation","Class I MHC mediated antigen processing & presentation","SARS
-CoV Infections","Toll-like Receptor Cascades","Generic Transcription Pathway","MHC class II antigen presentation","Neurodegenerative Diseases","Homology Directed Repair","M Phase","Neurotransmitter r
eceptors and postsynaptic signal transmission","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Transport to the Golgi and subsequent modification","Antigen processi
ng-Cross presentation","SARS-CoV-1 Infection","Trafficking and processing of endosomal TLR","Transcriptional regulation by RUNX1","Deregulated CDK5 triggers multiple neurodegenerative pathways in Alzh
eimer's disease models","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Transcrip
tional Regulation by TP53","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","ER to Golgi Anterograde Transport","Endosomal/Vacuolar pathway","Attachment and Entry","RUNX1 r
egulates transcription of genes involved in differentiation of keratinocytes","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Post NMDA receptor activation events","Regulation of TP53
 Activity","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresins","Cargo concentration in the ER","Homologous DNA Pairing and Strand Exchange","Nuclear Envelop
e (NE) Reassembly","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression and Degradation","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPM
s","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{CTSS}

> <broad_moa>
{"calpain inhibitor","cysteine protease inhibitor"}

> <synonyms>
{6,e-64,e64,66701-25-5,66701255,trans-Epoxysuccinyl-L-leucylamido(4-guanidino)butane,transEpoxysuccinylLleucylamido(4guanidino)butane,MLS000069547,L-trans-3-Carboxyoxiran-2-carbonyl-L-leucylagmatine,L
trans3Carboxyoxiran2carbonylLleucylagmatine,SMR000058838,"E-64 protease inhibitor","E64 protease inhibitor",MFCD00080261,Lopac-E-3132,LopacE3132,"E-64, protease inhibitor","E64, protease inhibitor",ML
S002153455,SCHEMBL8719,T6037,E-64}

> <pdid>
PD012606

> <targets>
{Cysteine protease,Autophagy,Bacterial,Cathepsin}

> <classes>
{Proteases/Proteasome,Anti-infection,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{439487}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    1.6120   -3.9767    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2566    0.5871    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4437   -1.8466    0.0000 C   0  0
    7.0583   -0.4784    0.0000 O   0  0
    7.3222   -3.0635    0.0000 C   0  0
    8.8153   -2.9121    0.0000 N   0  0
    9.7955   -4.0306    0.0000 C   0  0
   11.1668   -3.4227    0.0000 C   0  0
   11.0124   -1.9307    0.0000 C   0  0
    9.5457   -1.6165    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
  4 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 18  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15866

> <plate>
PLATE 008

> <well>
B2

> <supplier_cmpd_name>
IU1

> <ctcr_id>
4564

> <supplier_cmpd_id>
T6107

> <smiles>
Cc1cc(c(C)n1c2ccc(F)cc2)C(=O)CN3CCCC3

> <pd_targets>
{KDM4E,USP14,TGR}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Protease,"Lysine demethylase","Cysteine protease","Jumonji domain-containing","Cysteine protease CA clan","Cysteine protease C19 family"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Peptidases and proteinases","1.14.11.- Histone demethylases","CA: Cysteine (C) Peptidases","C19: Ubiquitin-specific protease"}

> <pathway_reactome>
{"Metabolism of proteins","Post-translational protein modification",Deubiquitination,"Ub-specific processing proteases"}

> <broad_targets>
{USP14}

> <broad_moa>
{"ubiquitin C-terminal hydrolase inhibitor"}

> <synonyms>
{314245-33-5,314245335,IU1,IU-1,"1-(1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone","1(1(4fluorophenyl)2,5dimethylpyrrol3yl)2pyrrolidin1ylethanone",CHEMBL1410015,MFCD01917473,"U
sp14 inhibitor",MLS001032847,GTPL8880,SCHEMBL6923146,ZINC38235,DTXSID80350196,HMS1726C11,HMS2742M13,HMS3653I09,HMS3743A07,AM,T6107,4088,S7134}

> <pdid>
PD003652

> <targets>
{Proteasome,DUB}

> <classes>
{Proteases}

> <pubchem_cids>
{675434}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 46 51  0  0  0  0            999 V2000
   -5.3122    5.9924    0.0000 C   0  0
   -4.8032    4.5814    0.0000 C   0  0
   -3.3267    4.3171    0.0000 C   0  0
   -5.7705    3.4338    0.0000 C   0  0
   -5.2613    2.0221    0.0000 C   0  0
   -6.2286    0.8745    0.0000 C   0  0
   -5.7600   -0.5300    0.0000 C   0  0
   -7.0425   -1.3079    0.0000 C   0  0
   -4.5500    0.1600    0.0000 O   0  0
   -3.3300   -0.5300    0.0000 C   0  0
   -2.1100    0.1600    0.0000 C   0  0
   -2.1069    1.6620    0.0000 C   0  0
   -0.8061    2.4106    0.0000 C   0  0
   -0.8030    3.9114    0.0000 C   0  0
    0.4971    4.6595    0.0000 C   0  0
   -2.1007    4.6637    0.0000 C   0  0
   -0.8900   -0.5300    0.0000 C   0  0
    0.3100    0.1600    0.0000 O   0  0
    1.5500   -0.5300    0.0000 C   0  0
    2.4500    0.5000    0.0000 C   0  0
    3.3200   -0.7100    0.0000 C   0  0
    3.8000   -3.2800    0.0000 C   0  0
    2.4200   -3.0200    0.0000 C   0  0
    1.5700   -1.9700    0.0000 C   0  0
    0.3100   -2.6400    0.0000 C   0  0
    0.2805   -4.1397    0.0000 O   0  0
   -0.8900   -1.9400    0.0000 C   0  0
   -2.1100   -2.6400    0.0000 C   0  0
   -2.1100   -4.1400    0.0000 O   0  0
   -3.3300   -1.9400    0.0000 C   0  0
   -4.5500   -2.6400    0.0000 C   0  0
   -5.7600   -1.9400    0.0000 C   0  0
    5.0100   -2.5900    0.0000 C   0  0
    6.1510   -3.5638    0.0000 O   0  0
    5.5000   -1.2900    0.0000 C   0  0
    5.9277    0.1750    0.0000 C   0  0
    7.3752    0.5714    0.0000 C   0  0
    8.4430   -0.4833    0.0000 C   0  0
    9.8893   -0.0858    0.0000 C   0  0
    8.0643   -1.9356    0.0000 C   0  0
    6.6180   -2.3332    0.0000 O   0  0
    9.1315   -2.9898    0.0000 O   0  0
    5.0300    0.0000    0.0000 O   0  0
    3.8300    0.7200    0.0000 C   0  0
    2.6594    1.6579    0.0000 C   0  0
    5.2660    1.1535    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 14 16  1  0
 11 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  3
 24 19  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 17  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 10  1  0
 30 31  1  0
 31 32  2  3
 32  7  1  0
 22 33  1  0
 33 34  2  0
 33 35  1  0
 35 19  1  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  2  0
 35 43  1  0
 43 44  1  0
 44 20  1  0
 44 45  1  0
 44 46  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15867

> <plate>
PLATE 008

> <well>
B3

> <supplier_cmpd_name>
Gambogic Acid

> <ctcr_id>
3842

> <supplier_cmpd_id>
T6185

> <smiles>
CC(C)=CCCC1(C)Oc2c(CC=C(C)C)c3OC45C6CC(C=C4C(=O)c3c(O)c2C=C1)C(=O)C5(C\C=C(\C)C(O)=O)OC6(C)C

> <pd_targets>
{TP53,HSD17B10,MAPT,RORC,FTL,ALOX15,MAPK1,CYP3A4,KDM4E,HPGD,BLM,PTPN1,MCL1,RGS17,TXN,IKBKB,HSP90AA1,TXN2,HSP90AB1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Other cytosolic protein","Unclassified protein","Epigenetic regulator",Oxidoreductase,"Nuclear receptor",Protease,Kinase,"Cytochrome P450",Eraser,Phosphatase,"Nuclear h
ormone receptor subfamily 1","Cysteine protease","Protein Kinase","Cytochrome P450 family 3","Lysine demethylase","Protein Phosphatase","Nuclear hormone receptor subfamily 1 group F","Cysteine proteas
e CA clan","CMGC protein kinase group","Cytochrome P450 family 3A","Jumonji domain-containing","Tyrosine protein phosphatase","Other protein kinase group","Nuclear hormone receptor subfamily 1 group F
 member 3","Cysteine protease C1A family","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Other protein kinase IKK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Nuclear hormone receptors","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Cytochrome P450","Chromatin modifying enzymes",Phosphatases,"B-cell lymphoma 2 (Bcl
-2) protein family","Regulators of G protein Signaling (RGS) proteins","Catalytic receptors","Heat shock proteins","1F. Retinoic acid-related orphans",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"C
LK families","CYP3 family","1.14.11.- Histone demethylases","Prostaglandin synthases","Protein tyrosine phosphatases non-receptor type (PTPN)","RZ family","Receptor kinases","Mitogen-activated protein
 kinases (MAP kinases)","Other protein kinases","ERK subfamily","IKK family"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Neuronal System","Gene expression (Transcription)","Vesicle-mediated transport","Immune System","DNA Repair","Signal Transduction",Disease,"Cell Cycle Checkpoints","Metabolis
m of amino acids and derivatives","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Membrane Trafficking","Metabolism of lipids","Innate Immune System","DNA Double-Strand Brea
k Repair","Cytokine Signaling in Immune system","Signaling by GPCR","Infectious disease",Mitotic,"G1/S DNA Damage Checkpoints","Branched-chain amino acid catabolism","Neurotransmitter receptors and po
stsynaptic signal transmission","Generic Transcription Pathway","trans-Golgi Network Vesicle Budding","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Cascades","Homolog
y Directed Repair","Signaling by Interleukins","GPCR downstream signalling","Leishmania infection","Mitotic G2-G2/M phases","Sulfur amino acid metabolism","p53-Dependent G1/S DNA damage checkpoint","A
ctivation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Golgi Associated Vesicle Biogenesis","Biosynthesis of DPA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade
","Biosynthesis of DHA-derived SPMs","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by MECP2","Interleukin-4 and Interleukin-13 signaling","G
 alpha (i) signalling events","Cell recruitment (pro-inflammatory response)","Toll Like Receptor 4 (TLR4) Cascade","G2/M Transition","Degradation of cysteine and homocysteine","p53-Dependent G1 DNA Da
mage Response","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","Biosynthesis of m
aresins","Biosynthesis of D-series resolvins","HDR through Homologous Recombination (HRR)","MECP2 regulates neuronal receptors and channels","Purinergic signaling in leishmaniasis infection","MyD88-in
dependent TLR4 cascade","Centrosome maturation","Stabilization of p53","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins and resolvins","MAP kinase activation","Bios
ynthesis of maresin-like SPMs","Homologous DNA Pairing and Strand Exchange","TRIF(TICAM1)-mediated TLR4 signaling","Loss of proteins required for interphase microtubule organization from the centrosom
e","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","IKK complex recruitment m
ediated by RIP1","Loss of Nlp from mitotic centrosomes","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{BCL2}

> <broad_moa>
{"caspase activator"}

> <synonyms>
{"Guttatic acid","Cambogic acid","Guttic acid",2752-65-0,2752650,b-Guttilactone,bGuttilactone,b-Guttiferin,bGuttiferin,"a-Gambogic acid","aGambogic acid",Beta-Guttiferrin,BetaGuttiferrin,B-Guttiferrin
,BGuttiferrin,Beta-Guttilactone,BetaGuttilactone,Spectrum5_000681,Spectrum5000681,Spectrum5-000681,"Spectrum5 000681",BSPBio_002493,BSPBio002493,BSPBio-002493,"BSPBio 002493",SPECTRUM200007,CHEMBL1477
081,SCHEMBL13613,T6185,200007,"Gambogic Acid","GAMBOGIC ACID"}

> <pdid>
PD002244

> <targets>
{Autophagy,Bcl-2 Family}

> <classes>
{cytotoxic,antiinflammatory,inhibits HeLa cells in vitro,LD50(rat) 88 mg/kg ip,Apoptosis,Autophagy}

> <pubchem_cids>
{5353639}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    6.4870   -5.2597    0.0000 C   0  0
    6.4915   -3.7597    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
   -6.4915   -3.7597    0.0000 O   0  0
   -6.4870   -5.2605    0.0000 C   0  0
   -7.7840   -6.0157    0.0000 C   0  0
   -7.7795   -7.5157    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 11  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 19 30  1  0
 30  9  1  0
 30 31  2  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15868

> <plate>
PLATE 008

> <well>
B4

> <supplier_cmpd_name>
PF-04691502

> <ctcr_id>
3302

> <supplier_cmpd_id>
T6251

> <smiles>
COc1ccc(cn1)C2=Cc3c(C)nc(N)nc3N(C4CCC(CC4)OCCO)C2=O

> <pd_targets>
{MTOR,PIK3CA,AKT1,PIK3CB,PIK3CD,PIK3CG,PIK3R1,PIK3R2,PIK3R3,PIK3R5,PIK3C2G,PIK3C2B,PI4KB}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","Atypical protein kinase group","AGC protein kinase group","Atypical protein kinase PIKK family","AGC protein kinase AKT family","Atypical protein kinase FR
AP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"Lipid modifying kinases","AGC: Containing PKA",PKG,"PKC families","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family",Phosphatidylinositol-4,"5-bi
sphosphate 3-kinase family","Akt (Protein kinase B","PKB) family","Phosphatidylinositol-4-phosphate 3-kinase family","1-phosphatidylinositol 4-kinase family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,Metabolism,"Immune System","Signal Transduction","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second mes
sengers","Metabolism of lipids","Cytokine Signaling in Immune system","Signaling by Receptor Tyrosine Kinases","Generic Transcription Pathway","Signaling by FGFR in disease","Phospholipid metabolism",
"Signaling by Interleukins","Signaling by Insulin receptor","Transcriptional Regulation by TP53","Signaling by FGFR1 in disease","PI Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Ins
ulin receptor signalling cascade","Regulation of TP53 Activity","FGFR1 mutant receptor activation","Synthesis of PIPs at the plasma membrane","Synthesis of PIPs at the Golgi membrane","Interleukin rec
eptor SHC signaling","IRS-mediated signalling","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR,PIK3CA}

> <broad_moa>
{"mTOR inhibitor","PI3K inhibitor"}

> <synonyms>
{F0469150,PF-04691502,PF04691502,1013101-36-4,1013101364,"PF 04691502",UNII-4W39NS61KI,UNII4W39NS61KI,CHEMBL1234354,4W39NS61KI,PF-4691502,PF4691502,PubChem24348,4tv3,cc-350,cc350,MLS006010979,GTPL7936
,SCHEMBL1381425,SCHEMBL1381431,SCHEMBL1984896,SCHEMBL10092210,SCHEMBL13976989,EX-A032,EXA032,QCR-137,QCR137,H,T6251,S2743}

> <pdid>
PD010689

> <targets>
{mTOR,PI3K,Akt}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{25033539}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    6.4833   -9.7648    0.0000 O   0  0
    6.4855   -8.2648    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 10  1  0
 22 23  2  0
 21 24  2  0
 24 13  1  0
 24 17  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15869

> <plate>
PLATE 008

> <well>
B5

> <supplier_cmpd_name>
Scriptaid

> <ctcr_id>
283

> <supplier_cmpd_id>
T6980

> <smiles>
ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23

> <pd_targets>
{KMT2A,MEN1,HDAC1,HDAC9,HDAC4,HDAC7,HDAC3,NCOR2,HDAC5,HDAC6,HDAC2,HDAC8,HDAC10,ALDH1A1,HDAC11,LTA4H,RORC}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Transcription factor",Reader,Eraser,Oxidoreductase,Protease,"Nuclear receptor",Bromodomain,"Histone deacetylase","Metallo protease","Nuclear hormone receptor subfamily 
1","HDAC class I","HDAC class IIa","HDAC class IIb","HDAC class IV","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","Metallo protease M1 family","Nuclear hormone receptor su
bfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Peptidases and proteinases","Nuclear hormone receptors","3.5.1.- Histone deacetylases (HDACs)","MA: Metallo (M) Peptidases","1F. Retinoic acid-related
 orphans","M1: Aminopeptidase N"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle",Metabolism,"Disorders of Developmental Biology","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymera
se II Transcription",Mitotic,"Biological oxidations","Metabolism of lipids","Disorders of Nervous System Development","Signaling by NOTCH1 in Cancer","Generic Transcription Pathway","M Phase","Phase I
 - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Pervasive developmental disorders","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Transcription
al regulation by RUNX2","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Transcriptional regulation by RUNX3","Loss of func
tion of MECP2 in Rett syndrome","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","RUNX2 regulates bone development","Regulation of TP53 Activity","Mitotic Anaphase","Biosynthesis of aspirin-t
riggered D-series resolvins","RUNX3 Regulates Immune Response and Cell Migration","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates chondrocyte maturation","Loss of MECP2 binding ability to 
the NCoR/SMRT complex","RUNX2 regulates osteoblast differentiation","Regulation of TP53 Activity through Acetylation","Separation of Sister Chromatids"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{scriptaid,287383-59-9,287383599,Scriptide,"6-(1,3-Dioxo-1H-benzo(de)isoquinolin-2(3H)-yl)-N-hydroxyhexanamide","6(1,3Dioxo1Hbenzo(de)isoquinolin2(3H)yl)Nhydroxyhexanamide","GCK 1026",GNF-PF-2024,GNFP
F2024,Scriptide;GCK1026,"6-(1,3-dioxobenzo(de)isoquinolin-2-yl)-N-hydroxyhexanamide","6(1,3dioxobenzo(de)isoquinolin2yl)Nhydroxyhexanamide",EJQ8CD8BSV,UNII-EJQ8CD8BSV,UNIIEJQ8CD8BSV,6-(1,6(1,3-Dioxo-1
,3Dioxo1,T6980,S8043,Scriptaid,Scriptaid}

> <pdid>
PD010468

> <targets>
{HDAC,Apoptosis,Autophagy,Influenza Virus}

> <classes>
{DNA Damage,Anti-infection,Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{5186}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -6.4990   -0.7410    0.0000 C   0  0
   -7.8007   -1.4864    0.0000 C   0  0
   -9.0971   -0.7319    0.0000 C   0  0
   -9.0919    0.7681    0.0000 C   0  0
   -7.7903    1.5136    0.0000 C   0  0
   -6.4939    0.7591    0.0000 C   0  0
  -10.3884    1.5225    0.0000 O   0  0
    2.5981    1.5000    0.0000 O   0  0
    5.1937   -3.0093    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
  6 23  1  0
  2 24  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15870

> <plate>
PLATE 008

> <well>
B6

> <supplier_cmpd_name>
Isobacachalcone

> <ctcr_id>
11495

> <supplier_cmpd_id>
T3861

> <smiles>
CC(=CCc1c(ccc(c1O)C(=O)/C=C/c1ccc(cc1)O)O)C

> <pd_targets>
{PTPN1}

> <pathway_gtopdb>
{Enzyme,Phosphatase,"Protein Phosphatase","Tyrosine protein phosphatase"}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Anti-infective targets",Phosphatases,"Viral protein targets","Protein tyrosine phosphatases non-receptor type (PTPN)","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","SARS-CoV Infections","Generic Transcription Pathway","SARS-CoV-1 Infection","Transcriptional Regulati
on by MECP2","SARS-CoV-1 Genome Replication and Transcription","MECP2 regulates neuronal receptors and channels","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Isobavachalcone,20784-50-3,20784503,Corylifolinin,Isobacachalcone,4-Hydroxyisocordoin,4Hydroxyisocordoin,UNII-ZWO2SC993A,UNIIZWO2SC993A,"2',4',4-trihydroxy-3'-prenylchalcone","2',4',4trihydroxy3'pren
ylchalcone",ZWO2SC993A,"2',4,4'-Trihydroxy-3'-(3-methyl-2-butenyl)chalcone","2',4,4'Trihydroxy3'(3methyl2butenyl)chalcone",CHEBI:28106,54676-49-2,54676492,4-Hydroxyisocordoim,4Hydroxyisocordoim,T3861}

> <pdid>
PD039486

> <targets>
{Others}

> <classes>
{Immunology/Inflammation}

> <pubchem_cids>
{5281255}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 28  0  0  0  0            999 V2000
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4897   -5.2632    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3032    3.7490    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    7.7798  -10.5202    0.0000 C   0  0
    7.7746  -12.0202    0.0000 C   0  0
    6.4729  -12.7657    0.0000 C   0  0
    5.1765  -12.0112    0.0000 C   0  0
    5.1817  -10.5112    0.0000 C   0  0
    6.4678  -14.2657    0.0000 O   0  0
    9.0733  -12.7724    0.0000 O   0  0
   10.3738  -12.0251    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 13 16  1  0
 12 17  1  0
 17 18  1  0
  1 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 22 25  1  0
 21 26  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15871

> <plate>
PLATE 008

> <well>
B7

> <supplier_cmpd_name>
Tetrahydro Curcumin

> <ctcr_id>
11496

> <supplier_cmpd_id>
T3735

> <smiles>
C(CC(=O)CC(=O)CCc1cc(c(cc1)O)OC)c1cc(c(cc1)O)OC

> <pd_targets>
{ACHE,ALOX5,OR51E2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Hydrolase,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"Acetylcholine turnover","Eicosanoid turnover",Lipoxygenases}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Metabolism of lipids","Signaling by GPCR","Phospholipid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR downstream signalling","Glycero
phospholipid biosynthesis","Biosynthesis of DPA-derived SPMs","G alpha (s) signalling events","Synthesis of PC","Biosynthesis of DPAn-3 SPMs","Olfactory Signaling Pathway","Biosynthesis of DPAn-3-deri
ved 13-series resolvins"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Tetrahydrocurcumin,36062-04-1,36062041,"1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-dione","1,7bis(4hydroxy3methoxyphenyl)heptane3,5dione",Sabiwhite,Tetrahydrodiferuloylmethane,"1,7-Bis(4-hydroxy-3
-methoxyphenyl)-3,5-heptanedione","1,7Bis(4hydroxy3methoxyphenyl)3,5heptanedione","3,5-Heptanedione, 1,7-bis(4-hydroxy-3-methoxyphenyl)-","3,5Heptanedione, 1,7bis(4hydroxy3methoxyphenyl)",U,T3735,"Tet
rahydro Curcumin"}

> <pdid>
PD063728

> <targets>
{Autophagy,CYP2C9,CYP3A4,"Endogenous Metabolite"}

> <classes>
{Autophagy,"Metabolic Enzyme/Protease"}

> <pubchem_cids>
{124072}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    6.4870   -5.2597    0.0000 C   0  0
    6.4915   -3.7597    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981    3.0000    0.0000 O   0  0
    2.5981    1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19  9  1  0
 16 20  1  0
 14 21  1  0
 10 22  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15872

> <plate>
PLATE 008

> <well>
B8

> <supplier_cmpd_name>
kaempferide

> <ctcr_id>
11497

> <supplier_cmpd_id>
T3806

> <smiles>
COc1ccc(cc1)c1c(c(=O)c2c(cc(cc2o1)O)O)O

> <pd_targets>
{ABCB1A,CYP1B1,ABCB1,CYP1A1,CYP1A2,MAPK14,MAPK10,MAOA}

> <pathway_gtopdb>
{Transporter,Enzyme,"Primary active transporter","Cytochrome P450",Kinase,Oxidoreductase,"ATP-binding cassette","Cytochrome P450 family 1","Protein Kinase","ABCB subfamily","Cytochrome P450 family 1B"
,"Cytochrome P450 family 1A","CMGC protein kinase group","Cytochrome P450 1B1","Cytochrome P450 1A1","CMGC protein kinase MAPK family","CMGC protein kinase p38 subfamily","CMGC protein kinase JNK subf
amily"}

> <pathway_chembl>
{Transporters,Enzymes,"ATP-binding cassette transporter family","Cytochrome P450","Kinases (EC 2.7.x.x)","Catecholamine turnover","ABCB subfamily","CYP1 family","CMGC: Containing CDK",MAPK,GSK3,"CLK f
amilies","Mitogen-activated protein kinases (MAP kinases)","p38 subfamily","JNK subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System","Biological oxidations","Abacavir transport and metabolism","Innate Immune System","Phase I - Functionalization of compounds","Abacavir transmembrane transport","Toll-like 
Receptor Cascades","Cytochrome P450 - arranged by substrate type","Toll Like Receptor 5 (TLR5) Cascade","Amine Oxidase reactions","Endogenous sterols",Xenobiotics,"MyD88 cascade initiated on plasma me
mbrane","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP kinase activation","MAPK targets/ Nuclear eve
nts mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Kaempferide,491-54-3,491543,Kaempferid,4'-Methylkaempferol,4'Methylkaempferol,4'-O-Methylkaempferol,4'OMethylkaempferol,"Kaempferol 4'-methyl ether","Kaempferol 4'methyl ether",Campheride,"3,5,7-Trih
ydroxy-2-(4-methoxyphenyl)-4H-chromen-4-one","3,5,7Trihydroxy2(4methoxyphenyl)4Hchromen4one","Kaempferol 4'-O-methyl ether","Kaempferol 4'Omethyl ether",Kaemperide,Kampheride,Kempferide,5,7-Dihy,7Dihy
,T3806,kaempferide}

> <pdid>
PD012582

> <targets>
{ER,Autophagy,Bacterial,Estrogen Receptor/ERR,Influenza Virus}

> <classes>
{Endocrinology/Hormones,Anti-infection,Autophagy,Others}

> <pubchem_cids>
{5281666}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 33 33  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
    2.5981    1.5000    0.0000 N   0  0
    3.8971    0.7500    0.0000 C   0  0
    3.8971   -0.7500    0.0000 C   0  0
    2.5981   -1.5000    0.0000 C   0  0
    2.6012   -3.0008    0.0000 N   0  0
    3.9020   -3.7494    0.0000 C   0  0
    3.9051   -5.2502    0.0000 C   0  0
    5.2059   -5.9988    0.0000 N   0  0
    5.2090   -7.4996    0.0000 C   0  0
    6.5098   -8.2481    0.0000 C   0  0
    6.5129   -9.7489    0.0000 N   0  0
    7.8138  -10.4975    0.0000 C   0  0
    9.1103   -9.7430    0.0000 C   0  0
   10.4119  -10.4885    0.0000 C   0  0
   10.4171  -11.9885    0.0000 N   0  0
    9.1207  -12.7430    0.0000 C   0  0
    7.8190  -11.9975    0.0000 C   0  0
    6.5226  -12.7520    0.0000 C   0  0
    6.5278  -14.2520    0.0000 C   0  0
    7.8294  -14.9975    0.0000 C   0  0
    9.1259  -14.2430    0.0000 C   0  0
    7.8346  -16.4975    0.0000 Cl  0  0
    6.5036   -5.2465    0.0000 C   0  0
   17.9171   -7.4989    0.0000 Cl  0  0
   15.4171   -7.4989    0.0000 Cl  0  0
   12.9171   -7.4989    0.0000 Cl  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  2  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  1  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 27 29  1  0
 15 30  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15873

> <plate>
PLATE 008

> <well>
B9

> <supplier_cmpd_name>
Lys05

> <ctcr_id>
11498

> <supplier_cmpd_id>
T3437

> <smiles>
c12c(cc(cc1)Cl)nccc2NCCN(CCNc1ccnc2c1ccc(c2)Cl)C.Cl.Cl.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Lys05,1391426-24-6,1391426246,"Lys01 trihydrochloride","Lys05 trihydrochloride","Lys01 (trihydrochloride)","Lys01 3HCl","Lys 05",DTXSID901015548,BCP20708,HY-12855A,HY12855A,s8369,CCG-270001,CCG270001
,CS-6358,CS6358,BS-15329,BS15329,AK00783578,T3436,T3437,LYS01}

> <pdid>
PD065346

> <targets>
{"lysosomal autophagy(1205Lu)","lysosomal autophagy(c8161)","lysosomal autophagy(HT-29)","lysosomal autophagy(LN229)"}

> <classes>
{Autophagy}

> <pubchem_cids>
{70673566}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 25  0  0  0  0            999 V2000
   18.1995   -1.4701    0.0000 C   0  0
   16.8989   -0.7228    0.0000 C   0  0
   15.6002   -1.4751    0.0000 C   0  0
   14.2989   -0.7273    0.0000 C   0  0
   13.0002   -1.4796    0.0000 C   0  0
   11.6990   -0.7319    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
   10.4015   -2.9850    0.0000 C   0  0
    9.1028   -3.7372    0.0000 C   0  0
    9.1040   -5.2381    0.0000 C   0  0
    7.8053   -5.9903    0.0000 C   0  0
    7.8065   -7.4911    0.0000 C   0  0
    6.5078   -8.2434    0.0000 S   0  0
    6.5090   -9.7442    0.0000 C   0  0
    7.8102  -10.4905    0.0000 C   0  0
    7.8144  -11.9905    0.0000 C   0  0
    6.5175  -12.7442    0.0000 C   0  0
    5.2164  -11.9979    0.0000 C   0  0
    5.2121  -10.4979    0.0000 C   0  0
    3.9087   -9.7539    0.0000 C   0  0
    2.6128  -10.5095    0.0000 O   0  0
    3.9018   -8.2539    0.0000 O   0  0
   10.4038   -5.9866    0.0000 C   0  0
   11.6963    0.7681    0.0000 C   0  0
   16.8963    0.7772    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 10 23  1  0
  6 24  1  0
  2 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15874

> <plate>
PLATE 008

> <well>
B10

> <supplier_cmpd_name>
Salirasib

> <ctcr_id>
7609

> <supplier_cmpd_id>
T6163

> <smiles>
CC(=CCC\C(=C/CC\C(=C\CSc1ccccc1C(=O)O)\C)\C)C

> <pd_targets>
{NFKB1,ICMT,TSHR,NFO,CHRM1,PYK,MAPT,HIF1A,CYP3A4,POLB,TRPA1,GMNN,BLM,LMNA,RECQL,FTL,CYP2C9,HSD17B10,CYP1A2}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Membrane receptor","Transcription factor","Ion channel","Unclassified protein","Other nuclear protein",Transferase,"Family A G protein-coupled receptor",Hydrolase,"C
ytochrome P450","Voltage-gated ion channel",Oxidoreductase,"Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Transient receptor potential channel
","Cytochrome P450 family 2","Cytochrome P450 family 1","Glycohormone receptor","Monoamine receptor","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Acetylcholine 
receptor","Cytochrome P450 3A4","Cytochrome P450 2C9","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","G protein-coupled receptors","Cytochrome P450","Voltage-gated ion channels","Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","CYP3 family","Tr
ansient Receptor Potential channels","CYP2 family: drug metabolising subset","CYP1 family"}

> <pathway_reactome>
{"Immune System","Signal Transduction",Disease,"Neuronal System","Cellular responses to external stimuli",Metabolism,"DNA Repair","Transport of small molecules","Cell Cycle","Vesicle-mediated transpor
t","Cytokine Signaling in Immune system","MAPK family signaling cascades","Infectious disease","Signaling by GPCR","Transmission across Chemical Synapses","Cellular responses to stress","Metabolism of
 lipids","Base Excision Repair","Ion channel transport",Mitotic,"DNA Double-Strand Break Repair","Membrane Trafficking","Biological oxidations","Metabolism of amino acids and derivatives","Signaling b
y Interleukins","MAPK1/MAPK3 signaling","Leishmania infection","GPCR ligand binding","Neurotransmitter receptors and postsynaptic signal transmission","Cellular response to hypoxia","Biosynthesis of s
pecialized proresolving mediators (SPMs)","Resolution of Abasic Sites (AP sites)","Stimuli-sensing channels","Mitotic G1 phase and G1/S transition","Homology Directed Repair","M Phase","trans-Golgi Ne
twork Vesicle Budding","Phase I - Functionalization of compounds","Branched-chain amino acid catabolism","Interleukin-1 family signaling","RAF/MAP kinase cascade","Leishmania parasite growth and survi
val","Class A/1 (Rhodopsin-like receptors)","Activation of NMDA receptors and postsynaptic events","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-deriv
ed SPMs","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","TRP channels","G1/S Transition","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","
Mitotic Metaphase and Anaphase","Golgi Associated Vesicle Biogenesis","Cytochrome P450 - arranged by substrate type","Interleukin-1 signaling","RAS processing","Anti-inflammatory response favouring Le
ishmania parasite infection","Amine ligand-binding receptors","Post NMDA receptor activation events","Biosynthesis of maresins","PCNA-Dependent Long Patch Base Excision Repair","Activation of the pre-
replicative complex","HDR through Homologous Recombination (HRR)","Mitotic Anaphase",Xenobiotics,"MAP3K8 (TPL2)-dependent MAPK1/3 activation","ADORA2B mediated anti-inflammatory cytokines production",
"Muscarinic acetylcholine receptors","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","CYP2
E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{TRPA1}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{T6163,nan,Salirasib,"Farnesyl Thiosalicylic Acid"}

> <pdid>
PD012732

> <targets>
{Autophagy,Ras}

> <classes>
{Autophagy,GPCR/G Protein}

> <pubchem_cids>
{92355512}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 N   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -6.4995    3.7432    0.0000 N   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -9.0982    3.7435    0.0000 C   0  0
  -10.3985    2.9956    0.0000 C   0  0
  -11.6964    3.7476    0.0000 C   0  0
  -11.6941    5.2476    0.0000 C   0  0
  -10.3939    5.9956    0.0000 C   0  0
  -10.3884    7.4964    0.0000 C   0  0
   -9.0864    8.2430    0.0000 N   0  0
   -7.7911    7.4865    0.0000 N   0  0
   -6.4883    8.2300    0.0000 C   0  0
   -6.4808    9.7299    0.0000 C   0  0
   -7.7760   10.4864    0.0000 C   0  0
   -9.0788    9.7430    0.0000 C   0  0
  -10.3741   10.4995    0.0000 O   0  0
   -5.1924    7.4731    0.0000 C   0  0
   -5.1974    5.9730    0.0000 C   0  0
   -3.9010    5.2186    0.0000 C   0  0
   -2.5994    5.9641    0.0000 C   0  0
   -2.5942    7.4641    0.0000 C   0  0
   -3.8907    8.2186    0.0000 C   0  0
   -1.2919    8.2101    0.0000 C   0  0
    0.0097    8.9556    0.0000 N   0  0
   -9.0960    5.2436    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  2  3
 24 25  1  0
 25 20  1  0
 25 26  2  0
 22 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 31 33  1  0
 33 34  3  0
 18 35  2  0
 35 14  1  0
  5 36  1  0
 36 37  1  0
 37  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15875

> <plate>
PLATE 008

> <well>
B11

> <supplier_cmpd_name>
Tepotinib

> <ctcr_id>
5094

> <supplier_cmpd_id>
T6121

> <smiles>
CN1CCC(COc2cnc(nc2)c3cccc(CN4N=C(C=CC4=O)c5cccc(c5)C#N)c3)CC1

> <pd_targets>
{MET}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase Met family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","Semaphorin interactions","Sema4D in semaphorin signaling","Sema4D mediated inhibition of cell attachment and migration"}

> <broad_targets>
{MET}

> <broad_moa>
{"hepatocyte growth factor receptor inhibitor"}

> <synonyms>
{Tepotinib(EMD-1214063),Tepotinib(EMD1214063),CHEMBL3402762,Tepotinib,1100598-32-0,1100598320,EMD-1214063,EMD1214063,"EMD 1214063",UNII-1IJV77EI07,UNII1IJV77EI07,MSC2156119,"Tepotinib (EMD 1214063)",M
SC2156119J,1IJV77EI07,MSC-2156119J,MSC-2156119,C29H28N6O2,"Tepotinib (INN)",Tepmetko,Tepo,T6121,S7067}

> <pdid>
PD012734

> <targets>
{c-Met}

> <classes>
{}

> <pubchem_cids>
{25171648}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    6.5025    0.7576    0.0000 C   0  0
    5.2048    1.5099    0.0000 O   0  0
    7.8026    1.5057    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 N   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 C   0  0
   -1.2942   -8.2509    0.0000 O   0  0
    0.0036   -7.4988    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  2 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  3
 23 13  1  0
 23 17  1  0
 21 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 15 30  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15876

> <plate>
PLATE 008

> <well>
C2

> <supplier_cmpd_name>
AZD6482

> <ctcr_id>
1683

> <supplier_cmpd_id>
T6087

> <smiles>
CC(Nc1ccccc1C(O)=O)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C

> <pd_targets>
{PIK3CB,PIK3CG,PIK3CD,PIK3CA,PIK3R1,PIK3R2,PIK3R3,PIK3R5}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Immune System",Disease,"Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","Cytokine Signaling in Immune system","Diseases of signal transduction by grow
th factor receptors and second messengers","Signaling by Insulin receptor","Phospholipid metabolism","Signaling by Interleukins","Signaling by FGFR in disease","Insulin receptor signalling cascade","P
I Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Signaling by FGFR1 in disease","IRS-mediated signalling","Synthesis of PIPs at the plasma membrane","Interleukin receptor SHC signalin
g","FGFR1 mutant receptor activation","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
{PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{663620-70-0,663620700,"(Rac)-AZD 6482","(Rac)AZD 6482",(Rac)-KIN-193,(Rac)KIN193,AZD-6482,AZD6482,SCHEMBL825695,CHEMBL2133638,HMS3265K07,HMS3265K08,HMS3265L07,HMS3265L08,HMS3654B12,HMS3750G11,BCP0226
3,CS-M0111,CSM0111,AKOS032947289,4-dodecylbenzyltrimethylammoniumchloride,4dodecylbenzyltrimethylammoniumchloride,NCGC00389715-01,NCGC0038971501,CS-14179,CS14179,DA-,DA,T6087,S1462}

> <pdid>
PD003410

> <targets>
{PI3K}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{10364098}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -5.1992   -3.0009    0.0000 C   0  0
   -6.5000   -3.7494    0.0000 C   0  0
   -7.7978   -2.9972    0.0000 O   0  0
   -6.5031   -5.2494    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 12 17  2  0
 17  8  1  0
 17 18  1  0
 18 19  1  0
 19  5  1  0
 19 20  2  0
 20  2  1  0
 20 21  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15877

> <plate>
PLATE 008

> <well>
C3

> <supplier_cmpd_name>
DMXAA

> <ctcr_id>
2799

> <supplier_cmpd_id>
T6273

> <smiles>
Cc1ccc2C(=O)c3cccc(CC(O)=O)c3Oc2c1C

> <pd_targets>
{STING1,GLA}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,Hydrolase}

> <pathway_chembl>
{"Other protein targets","Non-catalytic pattern recognition receptors","Other pattern recognition receptors"}

> <pathway_reactome>
{"Immune System",Metabolism,"Innate Immune System","Metabolism of lipids","Cytosolic sensors of pathogen-associated DNA","Sphingolipid metabolism","STING mediated induction of host immune responses","
Glycosphingolipid metabolism","IRF3-mediated induction of type I IFN"}

> <broad_targets>
{}

> <broad_moa>
{"angiogenesis inhibitor"}

> <synonyms>
{DMXAA,Vadimezan,117570-53-3,117570533,"5,6-Mexaa","5,6Mexaa","5,6-Dimethylxantheonone-4-acetic Acid","5,6Dimethylxantheonone4acetic Acid","2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid","2(5,6dim
ethyl9oxo9Hxanthen4yl)acetic acid","DMXAA (Vadimezan)","5,6-Dimethylxanthenone-4-acetic acid","5,6Dimethylxanthenone4acetic acid",AS-1404,AS1404,ASA-404,ASA404,"Dimethyloxoxanthene acetic acid",N,T627
3,S1537,"DMXAA (ASA404)"}

> <pdid>
PD010981

> <targets>
{VDA,IFNAR,Influenza Virus,STING}

> <classes>
{Angiogenesis,Anti-infection,Immunology/Inflammation}

> <pubchem_cids>
{123964}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -5.1953    1.5031    0.0000 N   0  0
   -5.1932    3.0039    0.0000 C   0  0
   -6.4896    3.7585    0.0000 N   0  0
   -6.4844    5.2585    0.0000 C   0  0
   -5.1828    6.0040    0.0000 C   0  0
   -3.8864    5.2495    0.0000 C   0  0
   -3.8916    3.7495    0.0000 N   0  0
   -2.5825    5.9927    0.0000 N   0  0
   -1.2864    5.2360    0.0000 C   0  0
    0.0174    5.9792    0.0000 C   0  0
    1.3135    5.2225    0.0000 C   0  0
    2.6174    5.9657    0.0000 N   0  0
    3.9135    5.2090    0.0000 C   0  0
    3.9057    3.7090    0.0000 O   0  0
    5.2173    5.9522    0.0000 C   0  0
    6.6200    5.5333    0.0000 C   0  0
    7.0132    6.9809    0.0000 C   0  0
    5.5657    7.3741    0.0000 C   0  0
   -5.1776    7.5047    0.0000 C   0  0
   -5.9215    8.7161    0.0000 C   0  0
   -4.4216    8.7086    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  5  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 26  1  0
 16 30  1  0
 30 31  1  0
 31 32  1  0
 32 30  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15878

> <plate>
PLATE 008

> <well>
C4

> <supplier_cmpd_name>
MRT68921

> <ctcr_id>
11499

> <supplier_cmpd_id>
T6899

> <smiles>
CN1CCc2c(C1)ccc(c2)Nc1ncc(c(n1)NCCCNC(=O)C1CCC1)C1CC1

> <pd_targets>
{ULK2,ULK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","Other protein kinase ULK family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","Other protein kinases","Unc-51-like kinase (ULK) family"}

> <pathway_reactome>
{Autophagy,Macroautophagy,"Selective autophagy",Mitophagy,"Receptor Mediated Mitophagy"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MRT68921,1190379-70-4,1190379704,CHEMBL4516990,Mrt68921(hcl),SCHEMBL13431972,BCP17106,BDBM50503137,"MRT 68921",MRT-68921,ZINC144077884,CS-6227,CS6227,DS-015862,DS015862,HY-100006,HY100006,HVH,T6899}

> <pdid>
PD053840

> <targets>
{ULK1,ULK2}

> <classes>
{Autophagy}

> <pubchem_cids>
{59225335}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 19  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0  2  0  0  0
   -3.9492    0.8772    0.0000 O   0  0
   -4.9546    1.9903    0.0000 C   0  0  2  0  0  0
   -6.4441    1.8282    0.0000 C   0  0
   -7.0500    0.4561    0.0000 O   0  0
   -4.2067    3.2905    0.0000 C   0  0  1  0  0  0
   -4.8190    4.6599    0.0000 O   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -1.3214    2.4906    0.0000 F   0  0
   -3.0655    4.4450    0.0000 F   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  8  2  1  0
  9  6  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  6
 12 13  1  0
 11 14  1  0
 14 15  1  1
 14 16  1  0
 16  9  1  0
 16 17  1  0
 16 18  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15879

> <plate>
PLATE 008

> <well>
C5

> <supplier_cmpd_name>
Gemcitabine HCl

> <ctcr_id>
2701

> <supplier_cmpd_id>
T6069

> <smiles>
NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H](O)C2(F)F

> <pd_targets>
{REP,POLA1,POLA2,POLD1,POLD2,POLD3,POLD4,POLE,POLE2,POLE3,PRIM1,PRIM2,RRM1,RRM2,RRM2B,TYMS,CMPK1}

> <pathway_gtopdb>
{Enzyme,Transferase,Oxidoreductase}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Anti-infective targets","1.17.4.1 Ribonucleoside-diphosphate reductases","2.1.1.- Methyltransferases","Viral protein targets","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{Disease,"Cell Cycle",Metabolism,"Infectious disease",Mitotic,"Metabolism of nucleotides","SARS-CoV Infections","Mitotic G1 phase and G1/S transition","Interconversion of nucleotide di- and triphospha
tes","SARS-CoV-1 Infection","G1/S Transition","SARS-CoV-1 Genome Replication and Transcription","G1/S-Specific Transcription","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
{CMPK1,RRM1,RRM2,TYMS}

> <broad_moa>
{"ribonucleotide reductase inhibitor"}

> <synonyms>
{gemcitabine,95058-81-4,95058814,"2'-Deoxy-2',2'-difluorocytidine","2'Deoxy2',2'difluorocytidine","2',2'-Difluorodeoxycytidine","2',2'Difluorodeoxycytidine","Gemcitabine HCl",dFdC,"GEMCITABINE HYDROCH
LORIDE","Cytidine, 2'-deoxy-2',2'-difluoro-","Cytidine, 2'deoxy2',2'difluoro","Gemcitabine free base",UNII-B76N6SBZ8R,UNIIB76N6SBZ8R,103882-84-4,103882844,LY188011,2',2'-,T0251,T6069,S1714,Prestw-1266
,Gemcitabine,Gemcitabine}

> <pdid>
PD003524

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{60750}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
   11.7034  -12.7474    0.0000 Br  0  0
   10.4028  -12.0001    0.0000 C   0  0
    9.1053  -12.7527    0.0000 C   0  0
    7.8048  -12.0054    0.0000 C   0  0
    7.8016  -10.5053    0.0000 C   0  0
    6.5019   -9.7549    0.0000 C   0  0
    6.5009   -8.2541    0.0000 C   0  0
    5.2012   -7.5037    0.0000 C   0  0
    5.2002   -6.0029    0.0000 N   0  0
    3.9005   -5.2525    0.0000 C   0  0
    3.8995   -3.7516    0.0000 C   0  0
    2.5997   -3.0012    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8976   -0.7500    0.0000 O   0  0
    3.8982   -2.2498    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    9.0992   -9.7527    0.0000 C   0  0
   10.3998  -10.5001    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  2  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 16  1  0
 25 20  1  0
  5 26  1  0
 26 27  2  0
 27  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15880

> <plate>
PLATE 008

> <well>
C6

> <supplier_cmpd_name>
H 89 2HCl

> <ctcr_id>
17

> <supplier_cmpd_id>
T6250

> <smiles>
Brc1ccc(C=CCNCCN[S](=O)(=O)c2cccc3cnccc23)cc1

> <pd_targets>
{MYLK,PRKACA,ROCK2,AKT1,PRKACB,PRKACG,GMNN,AKT2,PRKCA,PRKCB,PRKCD,PRKCE,PRKCG,PRKCH,PRKCI,PRKCQ,PRKCZ,PRKD1,PRKD3,PRKG1,CAMK2B,CAMKK2,ALDH1A1,AKT3,PRKAR2A,PRKAR2B,CSNK1A1,CSNK1D,CSNK1E,CSNK1G1,CSNK1G2
,MYLK3,RPS6KB1,FTL,PMP22,MAPT,LMNA,MAPK1,RPS6KA5,GSK3B,CHEK2,LIMK1,CHEK1,MARK2,KDR,DAPK3,RPS6KA3,MARK3,AURKA,CDK5,PRKAA1,AURKB,ROCK1,PRKD2,STK3,SGK2,CDK1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other cytosolic protein","Other nuclear protein",Kinase,Oxidoreductase,"Protein Kinase","CAMK protein kinase group","AGC protein kinase group","Other protein kinase gro
up","CK1 protein kinase group","CMGC protein kinase group","CAMK protein kinase MLCK family","AGC protein kinase PKA family","AGC protein kinase DMPK family","AGC protein kinase AKT family","AGC prote
in kinase PKC family","AGC protein kinase PKG family","CAMK protein kinase CAMK2 family","Other protein kinase CAMKK family","CK1 protein kinase CK1 family","AGC protein kinase RSK family","CMGC prote
in kinase MAPK family","CMGC protein kinase GSK family","AGC protein kinase ROCK subfamily","AGC protein kinase PKC alpha subfamily","Other protein kinase Meta subfamily","AGC protein kinase p70 subfa
mily","CMGC protein kinase ERK1","AGC protein kinase MSK subfamily","TKL protein kinase group","TK protein kinase group","STE protein kinase group","CAMK protein kinase RAD53 family","TKL protein kina
se LISK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase VEGFR family","CAMK protein kinase DAPK family","Other protein kinase AUR family","CMGC protein kinase CDK family","CAMK pro
tein kinase PKD family","STE protein kinase STE20 family","AGC protein kinase SGK family","TKL protein kinase LIMK subfamily","CAMK protein kinase CHK1 subfamily","CAMK protein kinase MARK subfamily",
"AGC protein kinase PKC iota subfamily","AGC protein kinase RSK subfamily","CMGC protein kinase CDK5 subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase PKC delta subfamily","STE prote
in kinase MST subfamily","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","AGC: Containing PKA",PKG,"PKC families","Receptor kinases","CK1: Casein kinase 1",
"CMGC: Containing CDK",MAPK,GSK3,"CLK families","Myosin Light Chain Kinase (MLCK) family","Protein kinase A (PKA) family","DMPK family","Akt (Protein kinase B","PKB) family","Protein kinase G (PKG) fa
mily","CAMK2 family","Other protein kinases","RSK family","Protein kinase C (PKC) family","Casein kinase 1 (CK1) family","Mitogen-activated protein kinases (MAP kinases)","Glycogen synthase kinase (GS
K) family","Rho kinase","CAMKK family","p70 subfamily","Delta subfamily","ERK subfamily","MSK subfamily","GSK subfamily","Meta subfamily","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 ki
nases","CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","Death-associated kinase (DAPK) family","Cyclin-dependent kinase (CDK) family","Protein kinase D (PKD) family","STE2
0 family","SGK family","CHK1 subfamily","LIM domain kinase (LISK) family","MARK subfamily","Iota subfamily","Receptor tyrosine kinases (RTKs)","Alpha subfamily","RSK subfamily","Aurora kinase (Aur) fa
mily","CDK5 subfamily","AMPK subfamily","MST subfamily","CDK1 subfamily","LIMK subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Cell Cycle","Developmental Biology","Gene expression (Transcription)",Hemostasis,"Neuronal System",Metabolism,"Vesicle-mediated transport",Disease,"Immune System","Signaling by
 Rho GTPases",Mitotic,"Nervous system development","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Platelet homeostasis","Transmission across Chemical Synapses","Biological
 oxidations","Intracellular signaling by second messengers","MTOR signalling","Membrane Trafficking","Signaling by GPCR","Diseases of signal transduction by growth factor receptors and second messenge
rs","Innate Immune System","Infectious disease","RHO GTPase Effectors","Mitotic G2-G2/M phases","Axon guidance","Generic Transcription Pathway","Mitotic G1 phase and G1/S transition","Signaling by Ins
ulin receptor","Nitric oxide stimulates guanylate cyclase","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","DAG and IP3 signaling","mTORC1-
mediated signalling","trans-Golgi Network Vesicle Budding","GPCR downstream signalling","Signaling by WNT in cancer","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Toll-li
ke Receptor Cascades","SARS-CoV Infections","RHO GTPases activate PAKs","G2/M Transition","Semaphorin interactions","Transcriptional Regulation by TP53","G1/S Transition","Insulin receptor signalling 
cascade","cGMP effects","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","CaM pathway","Golgi Associated Vesicle Biogenesis","G alpha (i) signalling events","Signaling by AME
R1 mutants","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","SARS-CoV-1 Infection","Centrosome maturation","Sema4D in semaphorin signaling","Regulation of TP53 Activity","Activa
tion of the pre-replicative complex","IRS-mediated signalling","Post NMDA receptor activation events","Calmodulin induced events","Visual phototransduction","Truncations of AMER1 destabilize the destr
uction complex","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","SARS-CoV-1 Genome Replication and Transcription","Loss of proteins required for interphase microtubule organization fro
m the centrosome","Sema4D induced cell migration and growth-cone collapse","Regulation of TP53 Expression and Degradation","PI3K Cascade","CREB1 phosphorylation through NMDA receptor-mediated activati
on of RAS signaling","Activation of AMPK downstream of NMDARs","PKA-mediated phosphorylation of CREB","The phototransduction cascade","Nuclear Envelope (NE) Reassembly","MAP kinase activation","Replic
ation of the SARS-CoV-1 genome","Loss of Nlp from mitotic centrosomes","Regulation of TP53 Degradation","PKB-mediated events","Ras activation upon Ca2+ influx through NMDA receptor","PKA activation",I
nactivation,"recovery and regulation of the phototransduction cascade","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","PDE3B signalling","ERK/
MAPK targets","CREB phosphorylation","ERKs are inactivated","DNA Repair","Programmed Cell Death","Transport of small molecules","DNA Double-Strand Break Repair","Signaling by Nuclear Receptors",Apopto
sis,"Metabolism of lipids","Signaling by Hippo","Ion channel transport","Homology Directed Repair","ESR-mediated signaling","Signaling by VEGF","Caspase activation via extrinsic apoptotic signalling p
athway","Oncogenic MAPK signaling","Sphingolipid metabolism","Stimuli-sensing channels","Regulation of mitotic cell cycle","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)"
,"Extra-nuclear estrogen signaling","VEGFA-VEGFR2 Pathway","Caspase activation via Dependence Receptors in the absence of ligand","Glutamate binding","activation of AMPA receptors and synaptic plastic
ity","Signaling by RAS mutants","Sphingolipid de novo biosynthesis","APC/C-mediated degradation of cell cycle proteins","HDR through Homologous Recombination (HRR)","Estrogen-stimulated signaling thro
ugh PRKCZ","VEGFR2 mediated cell proliferation","Trafficking of AMPA receptors","Signaling downstream of RAS mutants","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Ho
mologous DNA Pairing and Strand Exchange","Trafficking of GluR2-containing AMPA receptors","Regulation of TP53 Activity through Phosphorylation","Separation of Sister Chromatids","APC/C:Cdc20 mediated
 degradation of mitotic proteins","Presynaptic phase of homologous DNA pairing and strand exchange","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkp
oint","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{GSG2,PKIA,PRKACA}

> <broad_moa>
{"PKA inhibitor"}

> <synonyms>
{8,"Protein kinase inhibitor H-89","Protein kinase inhibitor H89",CHEBI:47495,N-(2-(4-bromocinnamylamino)ethyl)isoquinoline-5-sulfonamide,N(2(4bromocinnamylamino)ethyl)isoquinoline5sulfonamide,N-(2-(3
-(4-bromophenyl)prop-2-enylamino)ethyl)isoquinoline-5-sulfonamide,N(2(3(4bromophenyl)prop2enylamino)ethyl)isoquinoline5sulfonamide,Kinome_2783,Kinome2783,Kinome-2783,"Kinome 2783",CBiol_002015,CBiol00
2015,CBiol-002015,"CBiol 002015",KBioGR_000447,KBioGR000447,KBioGR-000447,"KBioGR 000447",KBioSS_000447,KBioSS000447,KBioSS-000447,"KBioSS 000447",CHEMBL1987756,KBio2_,KBio2,KBio2-,T6250,"H 89 2HCl",H
-89}

> <pdid>
PD005269

> <targets>
{PKA}

> <classes>
{}

> <pubchem_cids>
{3541}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.3408   -4.2142    0.0000 C   0  0
   -1.8408   -4.2089    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4939    0.7411    0.0000 N   0  0
   -6.4894   -0.7597    0.0000 C   0  0
   -7.7846   -1.5163    0.0000 C   0  0
   -7.7770   -3.0163    0.0000 C   0  0
   -6.4742   -3.7597    0.0000 N   0  0
   -5.1790   -3.0032    0.0000 C   0  0
   -5.1866   -1.5032    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  9  1  0
  5 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 16 24  2  0
 24 12  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15881

> <plate>
PLATE 008

> <well>
C7

> <supplier_cmpd_name>
PIK-III

> <ctcr_id>
11500

> <supplier_cmpd_id>
T6945

> <smiles>
Nc1ncc(c(n1)CC1CC1)c1ccnc(Nc2ccncc2)n1

> <pd_targets>
{PIK3C3,PIK3CG,PIK3CD}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases","Phosphatidylinositol 3-kinase family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Immune System","Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","Cytokine Signaling in Immune system","Signaling by Insulin receptor","Phospholipid me
tabolism","Signaling by Interleukins","Insulin receptor signalling cascade","PI Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","IRS-mediated signalling","Synthesis of PIPs at the plasm
a membrane","Interleukin receptor SHC signaling","PI3K Cascade"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{IKII,PIK-III,PIKIII,1383716-40-2,1383716402,Vps34-PIK-III,Vps34PIKIII,CHEMBL3781415,"4'-(Cyclopropylmethyl)-N~2~-(Pyridin-4-Yl)-4,5'-Bipyrimidine-2,2'-Diamine","4'(Cyclopropylmethyl)N~2~(Pyridin4Yl)4
,5'Bipyrimidine2,2'Diamine","4'-(CYCLOPROPYLMETHYL)-N2-(PYRIDIN-4-YL)-(4,5'-BIPYRIMIDINE)-2,2'-DIAMINE","4'(CYCLOPROPYLMETHYL)N2(PYRIDIN4YL)(4,5'BIPYRIMIDINE)2,2'DIAMINE",VPS34-IN2,VPS34IN2,4ph4,Vps34
-PIK-III?,Vps34PIKIII?,GTPL9379,SCHEMBL,T6945}

> <pdid>
PD071608

> <targets>
{Autophagy,PI3K,PI3K¦Á,PI3K¦Â,PI3K¦Ã,PI3K¦Ä,Vps34}

> <classes>
{PI3K/Akt/mTOR signaling,Autophagy,PI3K/Akt/mTOR}

> <pubchem_cids>
{67983123}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 28  0  0  0  0            999 V2000
    7.2951   -5.3602    0.0000 Na  0  3
    2.5490  -12.2198    0.0000 C   0  0
    1.7972  -10.9218    0.0000 O   0  0
    2.5450   -9.6205    0.0000 C   0  0
    4.0450   -9.6205    0.0000 C   0  0
    4.7951   -8.3215    0.0000 C   0  0
    4.0452   -7.0225    0.0000 N   0  0
    2.5451   -7.0223    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5497   -4.4224    0.0000 S   0  0
    4.0497   -4.4250    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  5
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.1996    1.4928    0.0000 F   0  0
   -3.8964   -0.7545    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.7951   -8.3214    0.0000 C   0  0
    0.2943   -8.3245    0.0000 O   0  0
   -0.4539   -9.6246    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 17 22  1  0
 22 23  2  0
 23 14  1  0
 23 24  1  0
 24 12  2  0
  8 25  2  0
 25  4  1  0
 25 26  1  0
 26 27  1  0
M  CHG  2   1   1  13  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15882

> <plate>
PLATE 008

> <well>
C8

> <supplier_cmpd_name>
Pantoprazole sodium

> <ctcr_id>
5093

> <supplier_cmpd_id>
T6929

> <smiles>
[Na+].COc1ccnc(C[S](=O)c2[n-]c3ccc(OC(F)F)cc3n2)c1OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Pantoprazole (sodium)",Pantoloc,Protonix,Pantecta,Zurcal,138786-67-1,138786671,"Protonix I.V.","BY1023 (sodium); SKF96022 (sodium)",Controloc,"Protonix DR","Protonix IV","PANTOPRAZOLE SODIUM SALT","
Pantoprazole sodium sesquihydrate","Protonix delayed-","Protonix delayed",T6929,T0161,SAM001246591,"Pantoprazole sodium","Pantoprazole Sodium Hydrate",CPD000469592}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{23713799,15008962}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 40 43  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.2948   -3.7517    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 N   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -5.1017   -6.1219    0.0000 N   0  0
   -4.6332   -7.5468    0.0000 N   0  0
   -3.1332   -7.5416    0.0000 C   0  0
   -2.6746   -6.1134    0.0000 S   0  0
   -2.2458   -8.7488    0.0000 C   0  0
   -0.7540   -8.5846    0.0000 C   0  0
    0.1349   -9.7939    0.0000 C   0  0
    1.6267   -9.6296    0.0000 C   0  0
    2.5156  -10.8389    0.0000 C   0  0
    4.0069  -10.6770    0.0000 N   0  0
    4.8928  -11.8874    0.0000 N   0  0
    4.2875  -13.2598    0.0000 C   0  0
    2.7963  -13.4219    0.0000 C   0  0
    1.9104  -12.2115    0.0000 C   0  0
    5.1715  -14.4727    0.0000 N   0  0
    4.5639  -15.8451    0.0000 C   0  0
    3.0724  -16.0045    0.0000 O   0  0
    5.4478  -17.0580    0.0000 C   0  0
    4.8403  -18.4303    0.0000 C   0  0
    5.7220  -19.6439    0.0000 C   0  0
    5.1120  -21.0142    0.0000 C   0  0
    3.6202  -21.1711    0.0000 C   0  0
    2.7384  -19.9577    0.0000 C   0  0
    3.3484  -18.5873    0.0000 C   0  0
    5.9917  -22.2302    0.0000 O   0  0
    5.3794  -23.6004    0.0000 C   0  0
    6.2586  -24.8157    0.0000 F   0  0
    3.8873  -23.7547    0.0000 F   0  0
    4.7668  -24.9696    0.0000 F   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 32 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15883

> <plate>
PLATE 008

> <well>
C9

> <supplier_cmpd_name>
CB-839

> <ctcr_id>
11501

> <supplier_cmpd_id>
T6797

> <smiles>
c1ccnc(c1)CC(=O)Nc1nnc(s1)CCCCc1nnc(cc1)NC(=O)Cc1cc(ccc1)OC(F)(F)F

> <pd_targets>
{GLS}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{Enzymes,"3.5.1.2 Glutaminases"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","TP53 Regulates Metabolic Genes"}

> <broad_targets>
{GLS}

> <broad_moa>
{"glutaminase inhibitor"}

> <synonyms>
{B83,CB-839,CB839,1439399-58-2,1439399582,Telaglenastat,UNII-U6CL98GLP4,UNIIU6CL98GLP4,U6CL98GLP4,63J,"CB 839","Telaglenastat (USAN)",CB-839(Telaglenastat),CB839(Telaglenastat),"Telaglenastat (USAN/IN
N)",GTPL9053,"CB-839 (WHO-DD)","CB839 (WHODD)",CHEMBL3639788,SCHEMBL14987180,BDBM109086,HMS3741E19,HMS3873G13,AMY168,T6797}

> <pdid>
PD012997

> <targets>
{GLUT,Autophagy,Glutaminase}

> <classes>
{Metabolism,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{71577426}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 39 45  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    5.0460   -2.3579    0.0000 C   0  0
    6.2823   -1.5084    0.0000 C   0  0
    7.6962   -2.0093    0.0000 O   0  0
    5.8565   -0.0701    0.0000 N   0  0
    4.3570   -0.0307    0.0000 C   0  0
    3.4982    1.1992    0.0000 O   0  0
    4.9973   -3.8578    0.0000 C   0  0
    6.2559   -4.6520    0.0000 C   0  0
    5.8646   -6.1001    0.0000 N   0  0
    6.8064   -7.2685    0.0000 C   0  0
    8.2966   -7.1489    0.0000 C   0  0
    9.1474   -8.3843    0.0000 C   0  0
    8.5029   -9.7388    0.0000 N   0  0
    7.0076   -9.8579    0.0000 C   0  0
    6.1569   -8.6225    0.0000 C   0  0
    9.3516  -10.9766    0.0000 C   0  0
    8.7048  -12.3309    0.0000 C   0  0
    9.5513  -13.5693    0.0000 C   0  0
    8.9021  -14.9216    0.0000 C   0  0
    7.4064  -15.0355    0.0000 C   0  0
    6.5599  -13.7972    0.0000 C   0  0
    7.2091  -12.4449    0.0000 N   0  0
    4.3672   -6.1750    0.0000 C   0  0
    3.4207   -7.3387    0.0000 C   0  0
    1.9397   -7.1008    0.0000 C   0  0
    1.4052   -5.6993    0.0000 C   0  0
    2.3517   -4.5356    0.0000 C   0  0
    3.8327   -4.7735    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  2  1  0
 10  5  1  0
  4 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
 12 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 24 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 20 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 18  1  0
 39 34  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15884

> <plate>
PLATE 008

> <well>
C10

> <supplier_cmpd_name>
Enzastaurin

> <ctcr_id>
3854

> <supplier_cmpd_id>
T6280

> <smiles>
Cn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4cn(C5CCN(CC5)Cc6ccccn6)c7ccccc47

> <pd_targets>
{PRKCA,DMPK,RPS6KA6,MET,RPS6KA4,MYLK4,MINK1,MAP4K1,CDK3,AXL,CDK7,PAK3,CLK1,CDK16,PRKG1,MELK,HIPK2,CLK4,PKN1,PRKCG,GRK7,PRKG2,AKT3,PRKCB,CAMK2D,PRKACA,CLK2,PIM1,RPS6KB1,CDKL2,STK17A,KIT,FLT3,PRKCH,TNK1
,RPS6KA5,PRKCE,PRKCZ,PRKCQ,STK26,MAP3K19,DYRK1B,PRKCD,PRKAA2,CDK14,PIP5K1C,FGFR1,PHKG1,JAK3,FLT4,TLK2,GSK3B,PRKACB,PIM3,CDK15,PDGFRB,RPS6KA1,RPS6KA3,CAMK2A,CAMK2B,CAMK2G,SLK,AAK1,STK33,MAPK15,STK3,DYR
K1A,HIPK4,NUAK2,CDK9,HIPK1,BMP2K,CAMKK2,STK16,CDK2,CILK1,GRK1,RPS6KA2,PIM2,TLK1}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","AGC protein kinase group","TK protein kinase group","CAMK protein kinase group","STE protein kinase group","CMGC protein kinase group","Other protein kinas
e group","AGC protein kinase PKC family","AGC protein kinase DMPK family","AGC protein kinase RSK family","Tyrosine protein kinase Met family","CAMK protein kinase MLCK family","STE protein kinase STE
20 family","CMGC protein kinase CDK family","Tyrosine protein kinase Axl family","CMGC protein kinase CLK family","AGC protein kinase PKG family","CAMK protein kinase CAMK1 family","CMGC protein kinas
e DYRK family","AGC protein kinase PKN family","AGC protein kinase GRK family","AGC protein kinase AKT family","CAMK protein kinase CAMK2 family","AGC protein kinase PKA family","CAMK protein kinase P
IM family","CMGC protein kinase CDKL family","CAMK protein kinase DAPK family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Ack family","STE protein kinase STE11 family","Tyrosine p
rotein kinase FGFR family","CAMK protein kinase PHk family","Tyrosine protein kinase JakA family","Tyrosine protein kinase VEGFR family","Other protein kinase TLK family","CMGC protein kinase GSK fami
ly","Other protein kinase NAK family","CAMK protein kinase unique family","CMGC protein kinase MAPK family","Other protein kinase CAMKK family","CMGC protein kinase RCK family","AGC protein kinase PKC
 alpha subfamily","AGC protein kinase GEK subfamily","AGC protein kinase RSK subfamily","AGC protein kinase MSK subfamily","STE protein kinase MSN subfamily","STE protein kinase KHS subfamily","CMGC p
rotein kinase CDC2 subfamily","CMGC protein kinase CDK7 subfamily","STE protein kinase PAKA subfamily","CMGC protein kinase TAIRE subfamily","CAMK protein kinase MELK subfamily","CMGC protein kinase H
IPK subfamily","AGC protein kinase GRK subfamily","AGC protein kinase p70 subfamily","AGC protein kinase PKC eta subfamily","AGC protein kinase PKC iota subfamily","AGC protein kinase PKC delta subfam
ily","STE protein kinase YSK subfamily","CMGC protein kinase Dyrk1 subfamily","CAMK protein kinase AMPK subfamily","CMGC protein kinase PFTAIRE","STE protein kinase SLK subfamily","STE protein kinase 
MST subfamily","CAMK protein kinase NuaK subfamily","CMGC protein kinase CDK9 subfamily","Other protein kinase Meta subfamily","CMGC protein kinase MAK"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","AGC: Containing PKA",PKG,"PKC families","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast
 Sterile 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid modifying kinases","Protein kinase C (PKC) family","DMPK family","RSK family","TK: Tyrosine kinase"
,"Myosin Light Chain Kinase (MLCK) family","STE20 family","Cyclin-dependent kinase (CDK) family","CLK family","Protein kinase G (PKG) family","CAMK-like (CAMKL) family","Dual-specificity tyrosine-(Y)-
phosphorylation regulated kinase (DYRK) family","Protein kinase N (PKN) family","G protein-coupled receptor kinases (GRKs)","Akt (Protein kinase B","PKB) family","CAMK2 family","Protein kinase A (PKA)
 family","PIM family","Cyclin-dependent kinase-like (CDKL) family","Death-associated kinase (DAPK) family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","Phosphorylase kina
se (PHK) family","Other protein kinases","Glycogen synthase kinase (GSK) family","CAMK-unique family","Mitogen-activated protein kinases (MAP kinases)","RCK family","Delta subfamily","GEK subfamily","
RSK subfamily","Receptor tyrosine kinases (RTKs)","MSK subfamily","MSN subfamily","KHS subfamily","CDK1 subfamily","CDK7 subfamily","PAKA subfamily","TAIRE subfamily","MELK subfamily","HIPK subfamily"
,"Alpha subfamily","Opsin/rhodopsin kinases","p70 subfamily","Eta subfamily","Non-receptor tyrosine kinases (nRTKs)","Iota subfamily","YSK subfamily","STE20 subfamily","Dyrk1 subfamily","AMPK subfamil
y","Tousled-like kinase (TLK) family","GSK subfamily","SLK subfamily","NAK family","Erk7 subfamily","MST subfamily","NuaK subfamily","CDK9 subfamily","Numb-associated kinase (NAK) family","CAMKK famil
y","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Ack family","Typ
e V RTKs: FGF (fibroblast growth factor) receptor family","Janus kinase (JakA) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Meta subfamily"}

> <pathway_reactome>
{"Signal Transduction","Muscle contraction","Neuronal System","Developmental Biology","Cellular responses to external stimuli",Disease,Hemostasis,"Gene expression (Transcription)","Cell Cycle","Immune
 System","Programmed Cell Death",Metabolism,"Vesicle-mediated transport","Signaling by GPCR","Cardiac conduction","Transmission across Chemical Synapses","Nervous system development","Cellular respons
es to stress","Signaling by Receptor Tyrosine Kinases","Infectious disease","Platelet homeostasis","RNA Polymerase II Transcription","Signaling by Rho GTPases","MAPK family signaling cascades",Mitotic
,"Diseases of signal transduction by growth factor receptors and second messengers","MTOR signalling","Innate Immune System","Signaling by Nuclear Receptors",Apoptosis,"Intracellular signaling by seco
nd messengers","Metabolism of carbohydrates","Cytokine Signaling in Immune system","Membrane Trafficking","Signaling by Hippo","GPCR downstream signalling","Ion homeostasis","Neurotransmitter receptor
s and postsynaptic signal transmission","Axon guidance","Cellular Senescence","Signaling by VEGF","HIV Infection","Nitric oxide stimulates guanylate cyclase","Generic Transcription Pathway","RHO GTPas
e Effectors","MAPK1/MAPK3 signaling","M Phase","Mitotic G2-G2/M phases","FLT3 signaling in disease","mTORC1-mediated signalling","Signaling by KIT in disease","Signaling by Insulin receptor","Toll-lik
e Receptor Cascades","Fcgamma receptor (FCGR) dependent phagocytosis","ESR-mediated signaling","Apoptotic execution phase","Signaling by FGFR in disease","DAG and IP3 signaling","Glycogen metabolism",
"Signaling by Interleukins","SARS-CoV Infections","PIP3 activates AKT signaling","Clathrin-mediated endocytosis","Mitotic G1 phase and G1/S transition","G alpha (i) signalling events","Activation of N
MDA receptors and postsynaptic events","Semaphorin interactions","L1CAM interactions","Oxidative Stress Induced Senescence","VEGFA-VEGFR2 Pathway","HIV Life Cycle","EPH-Ephrin signaling","cGMP effects
","Transcriptional Regulation by TP53","RHO GTPases activate PKNs","Glutamate binding","activation of AMPA receptors and synaptic plasticity","RAF/MAP kinase cascade","Mitotic Prophase","G2/M Transiti
on","Signaling by FLT3 ITD and TKD mutants","Drug resistance of KIT mutants","Insulin receptor signalling cascade","G alpha (z) signalling events","Toll Like Receptor 5 (TLR5) Cascade","Role of phosph
olipids in phagocytosis","Extra-nuclear estrogen signaling","Apoptotic cleavage of cellular proteins","Signaling by FGFR1 in disease","CaM pathway","Glycogen breakdown (glycogenolysis)","Interleukin-2
 family signaling","VEGF ligand-receptor interactions","SARS-CoV-1 Infection","Negative regulation of the PI3K/AKT network","Cargo recognition for clathrin-mediated endocytosis","G0 and Early G1","Vis
ual phototransduction","Post NMDA receptor activation events","Sema4D in semaphorin signaling","Recycling pathway of L1","Late Phase of HIV Life Cycle","Ephrin signaling","Regulation of TP53 Activity"
,"Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Trafficking of AMPA receptors","RAS processing","Nuclear Envelope Breakdown","Centrosome maturation"
,"STAT5 activation downstream of FLT3 ITD mutants","Dasatinib-resistant KIT mutants","IRS-mediated signalling","MyD88 cascade initiated on plasma membrane","Estrogen-stimulated signaling through PRKCZ
","SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion","FGFR1 mutant receptor activation","Calmodulin induced events","Interleukin-15 signaling","VEGF binds to VEGFR leading to receptor
 dimerization","SARS-CoV-1 Genome Replication and Transcription",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","The phototransduction cascade","CREB1 phosphorylation through NMDA receptor-mediated 
activation of RAS signaling","Sema4D mediated inhibition of cell attachment and migration","Transcription of the HIV genome","Regulation of TP53 Activity through Phosphorylation","Trafficking of GluR2
-containing AMPA receptors","Regulation of TP53 Expression and Degradation","Depolymerisation of the Nuclear Lamina","Loss of proteins required for interphase microtubule organization from the centros
ome","PI3K Cascade","MAP kinase activation","Signaling by activated point mutants of FGFR1","Replication of the SARS-CoV-1 genome","PKA-mediated phosphorylation of CREB","Activation of AMPK downstream
 of NMDARs",Inactivation,"recovery and regulation of the phototransduction cascade","RSK activation","HIV Transcription Elongation","Regulation of TP53 Degradation","Ras activation upon Ca2+ influx th
rough NMDA receptor","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","PKA activation","Tat-mediated elongation of the HIV-1 transcript","CREB phosphorylat
ion","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{AKT1,GSK3B,PRKCA,PRKCB,PRKCD,PRKCG}

> <broad_moa>
{"PKC inhibitor"}

> <synonyms>
{Enzastaurin,170364-57-5,170364575,"Enzastaurin (LY317615)",LY317615,LY-317615,UNII-UC96G28EQF,UNIIUC96G28EQF,"Enzastaurin free base",UC96G28EQF,"LY 317615",CHEMBL300138,"170364-57-5 (free base)","170
364575 (free base)",DSSTox_CID_24029,DSSToxCID24029,DSSTox-CID-24029,"DSSTox CID 24029",DSSTox_RID_80101,DSSToxRID80101,DSSTox-RID-80101,"DSSTox RID 80101",DSSTox_GSID_44029,DSSToxGSID44029,DSSTox-GSI
D-44029,"DSSTox GSID 44029",C32H29N5O2,CAS-170364,CAS170364,T6280,S1055,ENZASTAURIN}

> <pdid>
PD003282

> <targets>
{PKC,"PKC-beta Inhibitors",Apoptosis,Autophagy}

> <classes>
{Apoptosis,Autophagy,Epigenetics,TGF-beta/Smad}

> <pubchem_cids>
{176167}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 36 40  0  0  1  0            999 V2000
   15.4089   -1.4844    0.0000 N   0  0
   14.3320   -2.5285    0.0000 C   0  0
   14.6982   -3.9831    0.0000 O   0  0
   12.8886   -2.1173    0.0000 N   0  0
   12.5203   -0.6632    0.0000 C   0  0
   11.0769   -0.2551    0.0000 C   0  0
   10.0017   -1.3010    0.0000 C   0  0
   10.3700   -2.7551    0.0000 C   0  0
   11.8135   -3.1632    0.0000 C   0  0
    8.5566   -0.8956    0.0000 C   0  0
    7.4824   -1.9437    0.0000 C   0  0
    7.8532   -3.3972    0.0000 O   0  0
    6.0373   -1.5383    0.0000 N   0  0
    4.9622   -2.5843    0.0000 C   0  0
    3.5188   -2.1762    0.0000 C   0  0
    3.1484   -0.7186    0.0000 C   0  0
    4.2257    0.3239    0.0000 C   0  0
    5.6691   -0.0842    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0  1  0  0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 N   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
    1.0157    5.5663    0.0000 Br  0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
   -1.5000   -5.4558    0.0000 Cl  0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    3.0000   -2.8580    0.0000 Br  0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 19 16  1  6
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 20  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 33 34  1  0
 34 35  1  0
 34 36  2  0
 36 19  1  0
 36 29  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15885

> <plate>
PLATE 008

> <well>
C11

> <supplier_cmpd_name>
Lonafarnib

> <ctcr_id>
7529

> <supplier_cmpd_id>
T6302

> <smiles>
NC(=O)N1CCC(CC1)CC(=O)N2CCC(CC2)[C@H]3c4ncc(Br)cc4CCc5cc(Cl)cc(Br)c35

> <pd_targets>
{KRAS,HRAS,FNTA,FNTB,NRAS,ABCB1}

> <pathway_gtopdb>
{"Unclassified protein","Other cytosolic protein",Enzyme,Transporter,Transferase,"Primary active transporter","ATP-binding cassette","ABCB subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"3.6.5.2 Small monomeric GTPases","ATP-binding cassette transporter family","2.5.1.58 Protein farnesyltransferase","RAS subfamily","ABCB subfamily"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Signal Transduction","Transmission across Chemical Synapses","Abacavir transport and metabolism","Signaling by GPCR","Neurotransmitter receptors and postsynaptic signal 
transmission","Abacavir transmembrane transport","GPCR downstream signalling","Activation of NMDA receptors and postsynaptic events","G alpha (i) signalling events","Post NMDA receptor activation even
ts","Visual phototransduction","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","The phototransduction cascade","Ras activation upon Ca2+ influx through NMDA receptor
",Inactivation,"recovery and regulation of the phototransduction cascade"}

> <broad_targets>
{FNTA,HRAS,KRAS,NRAS}

> <broad_moa>
{"farnesyltransferase inhibitor"}

> <synonyms>
{cc-590,cc590,MLS006010423,MLS006011106,GTPL8024,"Lonafarnib, >=98 (HPLC)",BDBM14459,CHEBI:47097,DTXSID90172927,BCP07027,EX-A1630,EXA1630,ZINC3950115,NSC719467,s2797,AKOS005145760,CCG-270312,CCG270312
,CS-0792,CS0792,DB06448,NSC-719467,SB16694,NCGC00346707-01,NCGC0034670701,AC-32661,AC32661,AS-56182,AS56182,T6302,S2797,Lonafarnib}

> <pdid>
PD010566

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{148195}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    5.1852    3.0091    0.0000 Br  0  0
    5.1903    1.5091    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 N   0  0
    0.0049   -5.9994    0.0000 C   0  0
    1.3026   -5.2471    0.0000 O   0  0
    0.0080   -7.5002    0.0000 C   0  0
    1.3081   -8.2484    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 15 21  1  0
 21 22  2  0
 22  8  1  0
 22 12  1  0
  6 23  2  0
 23  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15886

> <plate>
PLATE 008

> <well>
D2

> <supplier_cmpd_name>
PD168393

> <ctcr_id>
3834

> <supplier_cmpd_id>
T6932

> <smiles>
Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1

> <pd_targets>
{EGFR,FYN,BTK,SRC,ERBB4,JAK3,BMX,ERBB2,BLK,ERBB3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Tyrosine protein kinase Tec family","Tyrosine protein kinase JakA 
family","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) recept
or family","Src family","Tec family","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Neuronal System","Immune System",Metabolism,"Developmental Biology","Gene expression (Transcription)","Signaling by GPCR","Infectious disease","Signaling by Receptor Ty
rosine Kinases","Transmission across Chemical Synapses","Cytokine Signaling in Immune system","Metabolism of lipids","Nervous system development","RNA Polymerase II Transcription","GPCR downstream sig
nalling","HIV Infection","Leishmania infection","Signaling by NTRKs","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by Interleukins","Phospholipid metabolism","Axon guida
nce","Generic Transcription Pathway","G alpha (q) signalling events","Host Interactions of HIV factors","Parasite infection","Signaling by NTRK1 (TRKA)","Activation of NMDA receptors and postsynaptic 
events","Interleukin-2 family signaling","PI Metabolism","Semaphorin interactions","Transcriptional regulation by RUNX1","Gastrin-CREB signalling pathway via PKC and MAPK","The role of Nef in HIV-1 re
plication and disease pathogenesis","Leishmania phagocytosis","Signalling to ERKs","Post NMDA receptor activation events","Interleukin-15 signaling","Synthesis of PIPs at the plasma membrane","Sema4D 
in semaphorin signaling","RUNX1 regulates transcription of genes involved in BCR signaling","EGFR Transactivation by Gastrin","Nef and signal transduction","FCGR3A-mediated phagocytosis","Signalling t
o RAS","Long-term potentiation","Sema4D induced cell migration and growth-cone collapse","p38MAPK events"}

> <broad_targets>
{EGFR,ERBB2,SRC}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{194423-15-9,194423159,PD168393,PD-168393,"pd 168393",4-((3-Bromophenyl)amino)-6-acrylamidoquinazoline,4((3Bromophenyl)amino)6acrylamidoquinazoline,UNII-3R996Y9T0I,UNII3R996Y9T0I,n-(4-((3-bromophenyl)
amino)quinazolin-6-yl)prop-2-enamide,n(4((3bromophenyl)amino)quinazolin6yl)prop2enamide,N-(4-(3-bromoanilino)quinazolin-6-yl)prop-2-enamide,N(4(3bromoanilino)quinazolin6yl)prop2enamide,N-(4-((3-bromop
henyl)amino)quin,N(4((3bromophenyl)amino)quin,T6932,SY-PD168393,S7039}

> <pdid>
PD005576

> <targets>
{EGFR,PTK}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{4708}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 25  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -5.1969   -1.5004    0.0000 C   0  0
   -5.1964   -3.0004    0.0000 C   0  0
   -6.4971   -0.7509    0.0000 C   0  0
   -7.7968   -1.5013    0.0000 C   0  0
   -9.0964   -0.7521    0.0000 C   0  0
   -6.4955   -2.2511    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    2.5800    0.0305    0.0000 C   0  0
    1.2638   -2.2496    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10  1  1  0
  7 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 11 16  1  0
  3 17  1  6
 17 18  1  0
 18 19  2  3
 19 20  1  0
  2 20  1  1
 18 21  1  0
  1 22  1  0
  1 23  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15887

> <plate>
PLATE 008

> <well>
D3

> <supplier_cmpd_name>
JWH-133

> <ctcr_id>
11502

> <supplier_cmpd_id>
T3584

> <smiles>
C1([C@H]2[C@H](c3ccc(cc3O1)C(C)(CCC)C)CC(=CC2)C)(C)C

> <pd_targets>
{CNR2,CNR1}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Lipid-like ligand receptor (family A GPCR)","Cannabinoid receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Cannabinoid receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR downstream signalling","G alpha (i) signalling events"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{WH13,JWH-133,JWH133,259869-55-1,259869551,"JWH 133","JW 133",UNII-TDG8048RDA,UNIITDG8048RDA,TDG8048RDA,"1,1-dimethylbutyl-1-deoxy-Delta(9)-THC","1,1dimethylbutyl1deoxyDelta(9)THC",CHEMBL371214,JW-133
/JW133,JW133/JW133,GTPL747,cc-366,cc366,SCHEMBL1517632,DTXSID30426077,CHEBI:146243,BCP22587,EX-A1014,EXA1014,ZINC6273129,BDBM50180036,NSC792,T3584}

> <pdid>
PD016710

> <targets>
{CB2}

> <classes>
{"GPCR/G Protein"}

> <pubchem_cids>
{6918505}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8056   -3.8680    0.0000 S   0  0
   -3.3371   -5.2929    0.0000 C   0  0
   -1.8371   -5.2877    0.0000 C   0  0
   -1.3786   -3.8595    0.0000 N   0  0
   -0.9508   -6.4988    0.0000 C   0  0
   -1.4503   -7.9079    0.0000 C   0  0
   -0.4759   -9.0482    0.0000 C   0  0
    0.9989   -8.7745    0.0000 N   0  0
    1.4993   -7.3604    0.0000 C   0  0
    0.5248   -6.2201    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  8  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
  6 19  2  0
 19  2  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15888

> <plate>
PLATE 008

> <well>
D4

> <supplier_cmpd_name>
STF-62247

> <ctcr_id>
1441

> <supplier_cmpd_id>
T6683

> <smiles>
Cc1cccc(Nc2scc(n2)c3ccncc3)c1

> <pd_targets>
{MAPT,FTL,KMT2A,MEN1,RAB9A,HTT,MAPK1}

> <pathway_gtopdb>
{"Other cytosolic protein","Unclassified protein","Epigenetic regulator",Enzyme,Reader,Hydrolase,Kinase,Bromodomain,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase MAPK family","CMGC
 protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Neuronal System","Vesicle-mediated transport","Signal Transduction","Gene expression (Transcription)","Immune System","Transmission across Chemical Synapses","Membrane Trafficking","Signaling by Rho
 GTPases","RNA Polymerase II Transcription","Innate Immune System","Neurotransmitter receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Budding","Rho GTPase cycle","Generic T
ranscription Pathway","Toll-like Receptor Cascades","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis","RHOBTB GTPase Cycle","Transcriptional Regulation by ME
CP2","Toll Like Receptor 5 (TLR5) Cascade","Post NMDA receptor activation events","RHOBTB3 ATPase cycle","Regulation of MECP2 expression and activity","MyD88 cascade initiated on plasma membrane","Act
ivation of AMPK downstream of NMDARs","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"autophagy inducer"}

> <synonyms>
{TF6224,STF-62247,STF62247,315702-99-9,315702999,"Autophagy Inducer, STF-62247","Autophagy Inducer, STF62247",4-(pyridin-4-yl)-N-m-tolylthiazol-2-amine,4(pyridin4yl)Nmtolylthiazol2amine,"N-(3-methylph
enyl)-4-pyridin-4-yl-1,3-thiazol-2-amine","N(3methylphenyl)4pyridin4yl1,3thiazol2amine","N-(3-methylphenyl)-4-(pyridin-4-yl)-1,3-thiazol-2-amine","N(3methylphenyl)4(pyridin4yl)1,3thiazol2amine",N-(3-m
ethylphenyl)-4-pyridin-4-yl-2-,N(3methylphenyl)4pyridin4yl2,T6683,S1041}

> <pdid>
PD021244

> <targets>
{"Inducer of autophagy"}

> <classes>
{}

> <pubchem_cids>
{704473}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 26 30  0  0  0  0            999 V2000
    3.8919   -5.2525    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.0972   -0.1561    0.0000 N   0  0
   -5.7073   -1.5264    0.0000 C   0  0
   -4.8256   -2.7399    0.0000 C   0  0
   -3.3339   -2.5831    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  1  0
 10 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 24 25  1  0
 25 17  1  0
 25 26  2  0
 26  8  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15889

> <plate>
PLATE 008

> <well>
D5

> <supplier_cmpd_name>
PI-103

> <ctcr_id>
3343

> <supplier_cmpd_id>
T6143

> <smiles>
Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2

> <pd_targets>
{CLK4,CDK7,PIP4K2C,JAK1,MYLK,PIK3CA,BRAF,DAPK2,PIK3CD,PIK3R1,RIOK2,PIK3CG,MTOR,PIK3CB,PRKDC,FLT3,TYK2,DYRK1B,PIM3,MAP3K19,PIK3C2B,DAPK3,PIK3C2G,LIMK2,RAF1,CDC42BPA,DAPK1,HIPK2,CSNK2A2,CLK3,DYRK2,PIK3C
2A,CHUK,CLK1,CLK2,CSNK2A1,PI4KB,HIPK3,HIPK1,MLST8,RPTOR,MAPKAP1,RICTOR}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","CMGC protein kinase group","TK protein kinase group","CAMK protein kinase group","TKL protein kinase group","Atypical protein kinase group","STE protein ki
nase group","AGC protein kinase group","Other protein kinase group","CMGC protein kinase CLK family","CMGC protein kinase CDK family","Tyrosine protein kinase JakA family","CAMK protein kinase MLCK fa
mily","TKL protein kinase RAF family","CAMK protein kinase DAPK family","Atypical protein kinase RIO family","Atypical protein kinase PIKK family","Tyrosine protein kinase PDGFR family","CMGC protein 
kinase DYRK family","CAMK protein kinase PIM family","STE protein kinase STE11 family","TKL protein kinase LISK family","AGC protein kinase DMPK family","Other protein kinase CK2 family","Other protei
n kinase IKK family","CMGC protein kinase CDK7 subfamily","Atypical protein kinase RIO2 subfamily","Atypical protein kinase FRAP subfamily","CMGC protein kinase Dyrk1 subfamily","TKL protein kinase LI
MK subfamily","AGC protein kinase GEK subfamily","CMGC protein kinase HIPK subfamily","CMGC protein kinase Dyrk2 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid modifying kinases","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein
 kinases",Atypical,"STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CLK family","Cyclin-dependent kinase (CDK) family","Type II PIP kinase
s (1-phosphatidylinositol-5-phosphate 4-kinase family)","TK: Tyrosine kinase","Myosin Light Chain Kinase (MLCK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","TKL: Tyrosine kinase-li
ke","Death-associated kinase (DAPK) family","RIO family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family",
"PIM family","STE20 family","Phosphatidylinositol-4-phosphate 3-kinase family","DMPK family","Other protein kinases","1-phosphatidylinositol 4-kinase family","CDK7 subfamily","Non-receptor tyrosine ki
nases (nRTKs)","RAF family","RIO2 subfamily","FRAP subfamily","Other PIKK family kinases","Receptor tyrosine kinases (RTKs)","Dyrk1 subfamily","STE20 subfamily","LIM domain kinase (LISK) family","GEK 
subfamily","HIPK subfamily","Casein kinase 2 (CK2) family","Dyrk2 subfamily","IKK family","Janus kinase (JakA) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","LIMK subfamily"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Immune System","Signal Transduction","Programmed Cell Death","Metabolism of RNA",Metabolism,"Developmental Biology","Infectious disease","RNA Polymerase II 
Transcription","Cytokine Signaling in Immune system","Signaling by Rho GTPases","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinas
es",Apoptosis,"rRNA processing","Metabolism of lipids","Innate Immune System","Nervous system development","MAPK family signaling cascades","HIV Infection","Generic Transcription Pathway","Interferon 
Signaling","RHO GTPase Effectors","Signaling by FGFR in disease","Signaling by NTRKs","Caspase activation via extrinsic apoptotic signalling pathway","rRNA processing in the nucleus and cytosol","Phos
pholipid metabolism","Signaling by Interleukins","Signaling by Insulin receptor","Cytosolic sensors of pathogen-associated DNA","Axon guidance","MAPK1/MAPK3 signaling","Toll-like Receptor Cascades","H
IV Life Cycle","Transcriptional Regulation by TP53","Antiviral mechanism by IFN-stimulated genes","RHO GTPases activate PAKs","Signaling by FGFR1 in disease","Signaling by NTRK1 (TRKA)","Caspase activ
ation via Dependence Receptors in the absence of ligand","Major pathway of rRNA processing in the nucleolus and cytosol","PI Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Insulin rec
eptor signalling cascade","STING mediated induction of host immune responses","Interferon alpha/beta signaling","Semaphorin interactions","RAF/MAP kinase cascade","Toll Like Receptor 4 (TLR4) Cascade"
,"Late Phase of HIV Life Cycle","Regulation of TP53 Activity","ISG15 antiviral mechanism","FGFR1 mutant receptor activation","Signalling to ERKs","Synthesis of PIPs at the plasma membrane","Interleuki
n receptor SHC signaling","IRS-mediated signalling","IRF3-mediated induction of type I IFN","Regulation of IFNA signaling","Synthesis of PIPs at the Golgi membrane","Sema4D in semaphorin signaling","N
egative regulation of MAPK pathway","Synthesis of PIPs at the early endosome membrane","MyD88-independent TLR4 cascade","Transcription of the HIV genome","Regulation of TP53 Activity through Acetylati
on","Signaling by cytosolic FGFR1 fusion mutants","Prolonged ERK activation events","Regulation of TP53 Expression and Degradation","PI3K Cascade","Sema4D induced cell migration and growth-cone collap
se","Negative feedback regulation of MAPK pathway","Regulation of TP53 Activity through Phosphorylation","TRIF(TICAM1)-mediated TLR4 signaling","HIV Transcription Elongation","PI5P Regulates TP53 Acet
ylation","ARMS-mediated activation","Regulation of TP53 Degradation","IKK complex recruitment mediated by RIP1","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex
 containing HIV-1 Tat"}

> <broad_targets>
{MTOR,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PRKDC}

> <broad_moa>
{"mTOR inhibitor","PI3K inhibitor"}

> <synonyms>
{I10,PI-103,PI103,371935-74-9,371935749,"3-(4-morpholinopyrido(3',2':4,5)furo(3,2-d)pyrimidin-2-yl)phenol","3(4morpholinopyrido(3',2':4,5)furo(3,2d)pyrimidin2yl)phenol","PI 103",UNII-YQX02F616F,UNIIYQ
X02F616F,"Phenol, 3-(4-(4-morpholinyl)pyrido(3',2':4,5)furo(3,2-d)pyrimidin-2-yl)-","Phenol, 3(4(4morpholinyl)pyrido(3',2':4,5)furo(3,2d)pyrimidin2yl)",PIK-103,PIK103,YQX02F616F,CHEBI:90524,3-(4-(4-Mo
rpholinyl)pyri,3(4(4Morpholinyl)pyri,T6143,"EMD 528100","Se S1038",528100}

> <pdid>
PD003364

> <targets>
{PI3K,MTOR,"DNA PK","PI3K CLASS I"}

> <classes>
{}

> <pubchem_cids>
{9884685}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 20  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.2521   -4.3116    0.0000 C   0  0
   -6.7433   -4.1499    0.0000 N   0  0
   -7.0504   -2.6817    0.0000 C   0  0
   -5.7489   -1.9360    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 12  1  0
 10 17  1  0
 17  6  1  0
 17 18  2  0
 18  3  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15890

> <plate>
PLATE 008

> <well>
D6

> <supplier_cmpd_name>
SU9516

> <ctcr_id>
7769

> <supplier_cmpd_id>
T6167

> <smiles>
COc1ccc2NC(=O)\C(=C/c3c[nH]cn3)c2c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SU9516,377090-84-1,377090841,"377090 84 1","SU 9516",SU-9516,(Z)-3-((1H-imidazol-5-yl)methylene)-5-methoxyindolin-2-one,(Z)3((1Himidazol5yl)methylene)5methoxyindolin2one,"(Z) 3 ((1H imidazol 5 yl)met
hylene) 5 methoxyindolin 2 one",666837-93-0,666837930,66683,"EMD 572650",572650}

> <pdid>

> <targets>
{Apoptosis,Autophagy,CDK}

> <classes>
{Apoptosis,Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{5289419}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 43 48  0  0  1  0            999 V2000
    2.4192   -8.3243    0.0000 C   0  0
    1.2028   -7.4466    0.0000 C   0  0
    1.1979   -5.9466    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.0059   -1.5004    0.0000 C   0  0
   -1.3785   -0.8955    0.0000 O   0  0
    1.2903   -0.7456    0.0000 N   0  0
    2.4080   -1.7447    0.0000 C   0  0
    3.8992   -1.5823    0.0000 C   0  0
    4.7854   -2.7925    0.0000 C   0  0
    4.1805   -4.1651    0.0000 C   0  0
    2.6893   -4.3275    0.0000 C   0  0
    1.8030   -3.1173    0.0000 C   0  0
    5.0672   -5.3760    0.0000 S   0  0
    4.4618   -6.7484    0.0000 O   0  0
    5.9528   -6.5866    0.0000 O   0  0
    6.5593   -5.2145    0.0000 C   0  0
    7.4460   -6.4253    0.0000 C   0  0
    8.9376   -6.2660    0.0000 C   0  0
    9.5453   -4.8947    0.0000 Cl  0  0
    9.8213   -7.4780    0.0000 C   0  0
    9.2136   -8.8494    0.0000 C   0  0
    7.7221   -9.0088    0.0000 C   0  0
    6.8383   -7.7968    0.0000 C   0  0
    5.3468   -7.9562    0.0000 Cl  0  0
   -1.1079   -6.7042    0.0000 C   0  0
   -2.6079   -6.7003    0.0000 C   0  0
   -0.2222   -7.9149    0.0000 C   0  0
   -0.6776   -9.3422    0.0000 C   0  0
   -2.1432   -9.6615    0.0000 O   0  0
    0.3320  -10.4528    0.0000 N   0  0
    1.8079  -10.2697    0.0000 C   0  0
    2.4273  -11.6359    0.0000 C   0  0
    1.3194  -12.6471    0.0000 C   0  0
    0.0153  -11.9060    0.0000 C   0  0  2  0  0  0
   -1.3526  -12.5170    0.0000 C   0  0
   -1.5087  -14.0096    0.0000 N   0  0
   -2.8035  -14.7413    0.0000 C   0  0
   -2.4879  -16.2077    0.0000 C   0  0
   -0.9957  -16.3606    0.0000 C   0  0
   -0.3891  -14.9887    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  6  1  0
 15 10  1  0
 13 16  1  0
 16 17  2  0
 16 18  2  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 20  1  0
 26 27  1  0
  4 28  2  0
 28 29  1  0
 28 30  1  0
 30  2  2  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 33  1  0
 37 38  1  6
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 39  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15891

> <plate>
PLATE 008

> <well>
D7

> <supplier_cmpd_name>
PHA-665752

> <ctcr_id>
7744

> <supplier_cmpd_id>
T6128

> <smiles>
Cc1[nH]c(\C=C/2\C(=O)Nc3ccc(cc23)S(=O)(=O)Cc4c(Cl)cccc4Cl)c(C)c1C(=O)N5CCC[C@@H]5CN6CCCC6

> <pd_targets>
{CLK3,HIPK2,NUAK2,DCLK3,MAP2K5,MET,SRC,CLK1,NTRK3,CDK4,DDR1,PAK1,TYK2,CAMK1,CASK,PRPF4B,FLT3,MST1R,KDR,ABL1,KIT,STK10,CDK16,CAMKK2,CDK14,INSRR,BMP2K,PAK5,HIPK1,GAK,YES1,RPS6KA6,MYLK,CDK15,MAP4K4,EIF2A
K4,BMPR2,CDK7,PDGFRB,GRK1,MAP4K3,RIPK1,RPS6KA3,DCLK1,ROCK2,NTRK1,MAP4K1,PIP5K1A,CSNK2A2,JAK1,NEK2,PIP4K2B,FGFR1,FGFR3,INSR,AURKC,DDR2,STK3,MAP4K5,HUNK,SLK,RET,NIM1K,CAMK2G,MAK,PRKAA2,TBK1,NUAK1,TNIK,M
AP3K19,CAMKK1,MYLK2,CSNK1D,GRK7,HIPK4,MAP3K7,CAMK2A,PTK2B,CSNK1E,MAP3K3,CDK18,ULK1,STK17B,ABL2,PHKG2,MAPK7,MAP2K1,RIOK3,CDKL2,RPS6KA5,CSF1R,NTRK2,PHKG1,PLK2,CILK1,TAOK3,TAOK1,MAP2K2,AURKB,JAK3,TEK,CDK
9,AXL,BLK,PAK3,ROS1,ALK,EPHB6,STK17A,MAP3K4,PDGFRA,IRAK3,IKBKE,SRPK3,ULK2,IRAK4,EPHA8,RIOK1,TSSK1B,SRPK2,STK16,STK11,TYRO3,MAP3K2,PLK4,MARK2,FGFR2,STK33,PTK2,MINK1,DCLK2,IRAK1,FLT4,RPS6KB1,CLK2,MAP3K1
3,JAK2,FGR,SRPK1,MAP4K2,EGFR,MERTK,CAMK2D,PRKAA1,CDK17,LCK,TIE1,HIPK3,MAP3K12,AAK1,SIK2,TAOK2,STK26,CAMK1D,GRK4}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","CMGC protein kinase group","CAMK protein kinase group","STE protein kinase group","TK protein kinase group","Other protein kinase group","AGC pr
otein kinase group","TKL protein kinase group","CK1 protein kinase group","Atypical protein kinase group","CMGC protein kinase CLK family","CMGC protein kinase DYRK family","CAMK protein kinase CAMK1 
family","CAMK protein kinase DCAMK1 family","STE protein kinase STE7 family","Tyrosine protein kinase Met family","Tyrosine protein kinase Src family","Tyrosine protein kinase Trk family","Tyrosine pr
otein kinase DDR family","STE protein kinase STE20 family","Tyrosine protein kinase JakA family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase 
Abl family","CMGC protein kinase CDK family","Other protein kinase CAMKK family","Tyrosine protein kinase InsR family","Other protein kinase NAK family","AGC protein kinase RSK family","CAMK protein k
inase MLCK family","Other protein kinase PEK family","TKL protein kinase STKR family","AGC protein kinase GRK family","TKL protein kinase RIPK family","AGC protein kinase DMPK family","Other protein k
inase CK2 family","Other protein kinase NEK family","Tyrosine protein kinase FGFR family","Other protein kinase AUR family","Tyrosine protein kinase Ret family","CAMK protein kinase CAMK2 family","CMG
C protein kinase RCK family","Other protein kinase IKK family","STE protein kinase STE11 family","CK1 protein kinase CK1 family","TKL protein kinase MLK family","Tyrosine protein kinase Fak family","O
ther protein kinase ULK family","CAMK protein kinase DAPK family","CAMK protein kinase PHk family","CMGC protein kinase MAPK family","Atypical protein kinase RIO family","CMGC protein kinase CDKL fami
ly","Other protein kinase PLK family","Tyrosine protein kinase Tie family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Sev family","TKL protein kinase IRAK family","CMGC protein kina
se SRPK family","Tyrosine protein kinase Eph family","CAMK protein kinase TSSK family","CAMK protein kinase unique family","Tyrosine protein kinase EGFR family","CMGC protein kinase HIPK subfamily","C
AMK protein kinase NuaK subfamily","STE protein kinase PAKA subfamily","STE protein kinase SLK subfamily","CMGC protein kinase TAIRE subfamily","Other protein kinase Meta subfamily","CMGC protein kina
se PFTAIRE","STE protein kinase PAKB subfamily","AGC protein kinase RSK subfamily","STE protein kinase MSN subfamily","Other protein kinase GCN2 subfamily","TKL protein kinase STKR Type 2 subfamily","
CMGC protein kinase CDK7 subfamily","AGC protein kinase GRK subfamily","STE protein kinase KHS subfamily","AGC protein kinase ROCK subfamily","STE protein kinase MST subfamily","CAMK protein kinase NI
M1 subfamily","CMGC protein kinase MAK","CAMK protein kinase AMPK subfamily","TKL protein kinase TAK1 subfamily","STE protein kinase MEKK2","CMGC protein kinase PCTAIRE","CMGC protein kinase ERK5","At
ypical protein kinase RIO3 subfamily","AGC protein kinase MSK subfamily","Other protein kinase PLK2","STE protein kinase TAO subfamily","CMGC protein kinase CDK9 subfamily","TKL protein kinase STKR Ty
pe 1 subfamily","Atypical protein kinase RIO1 subfamily","CAMK protein kinase LKB subfamily","CAMK protein kinase MARK subfamily","AGC protein kinase p70 subfamily","TKL protein kinase LZK subfamily",
"CAMK protein kinase QIK subfamily","STE protein kinase YSK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7",
"Sterile 11","Sterile 20 kinases","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","Lipid modifying kinases","CK1: Casein kinase 1",Atypical,"CLK family","Dual-specificity tyrosine-(Y)-phos
phorylation regulated kinase (DYRK) family","CAMK-like (CAMKL) family","DCAMKL family","STE7 family","TK: Tyrosine kinase","Cyclin-dependent kinase (CDK) family","STE20 family","CAMK1 family","CASK fa
mily","Other protein kinases","RSK family","Myosin Light Chain Kinase (MLCK) family","TKL: Tyrosine kinase-like","G protein-coupled receptor kinases (GRKs)","DMPK family","Type I PIP kinases (1-phosph
atidylinositol-4-phosphate 5-kinase family)","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","CAMK2 family","RCK family","Casein kinase 1 (CK1) family","STE11 family","Death
-associated kinase (DAPK) family","Phosphorylase kinase (PHK) family","Mitogen-activated protein kinases (MAP kinases)","RIO family","Cyclin-dependent kinase-like (CDKL) family","SRPK family","Testis 
specific kinase (TSSK) family","CAMK-unique family","HIPK subfamily","NuaK subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","CDK4 subfamily","PAKA subfamily","PRP4
 subfamily","SLK subfamily","TAIRE subfamily","CAMKK family","Numb-associated kinase (NAK) family","PAKB subfamily","RSK subfamily","MSN subfamily","PEK family","Receptor serine/threonine kinase (RSTK
) family","CDK7 subfamily","Opsin/rhodopsin kinases","KHS subfamily","Receptor interacting protein kinase (RIPK) family","Rho kinase","Casein kinase 2 (CK2) family","NIMA (never in mitosis gene a)- re
lated kinase (NEK) family","Aurora kinase (Aur) family","MST subfamily","HUNK subfamily","NIM1 subfamily","AMPK subfamily","IKK family","STE20 subfamily","Mixed Lineage Kinase (MLK) family","Unc-51-li
ke kinase (ULK) family","ERK subfamily","RIO3 subfamily","MSK subfamily","Polo-like kinase (PLK) family","TAO subfamily","CDK9 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","RIO1
 subfamily","NAK family","LKB subfamily","MARK subfamily","p70 subfamily","QIK subfamily","YSK subfamily","GRK4 subfamily","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Src family","T
ype VII RTKs: Neurotrophin receptor/Trk family","Type XVI RTKs: DDR (collagen receptor) family","Janus kinase (JakA) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type IV RTKs: VEGF 
(vascular endothelial growth factor) receptor family","Abl family","Meta subfamily","Type II RTKs: Insulin receptor family","GCN2 subfamily","Type II receptor serine/threonine kinases","Type V RTKs: F
GF (fibroblast growth factor) receptor family","Type XIV RTKs: RET","TAK1 subfamily","Fak family","Type XII RTKs: TIE family of angiopoietin receptors","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) re
ceptor family","Type XVII RTKs: ROS receptors","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XIII RTKs: Ephrin receptor family","LZK subfamily","Type I RTKs: ErbB (epidermal g
rowth factor) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","Developmental Biology","Cell Cycle","Extracellular matrix organization","Immune System","Neuronal System",Disease,"Vesicle-mediated transport"
,"Cellular responses to external stimuli",Metabolism,Autophagy,"Metabolism of RNA",Hemostasis,"Programmed Cell Death","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Nervou
s system development",Mitotic,"Non-integrin membrane-ECM interactions","Cytokine Signaling in Immune system","Transmission across Chemical Synapses","Infectious disease","Diseases of signal transducti
on by growth factor receptors and second messengers","Innate Immune System","Membrane Trafficking","Signaling by Rho GTPases","Cellular responses to stress","Signaling by TGFB family members","Intrace
llular signaling by second messengers","Signaling by GPCR","Metabolism of lipids","Signaling by Hippo",Macroautophagy,"Metabolism of carbohydrates","rRNA processing","MAPK family signaling cascades","
MTOR signalling","Cell surface interactions at the vascular wall",Apoptosis,"Generic Transcription Pathway","Signaling by NTRKs","Axon guidance","Mitotic G1 phase and G1/S transition","Interferon Sign
aling","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by Insulin receptor","Signaling by MST1","Signaling by VEGF","Leishmania infection","Signaling by KIT in disease","N
eutrophil degranulation","trans-Golgi Network Vesicle Budding","RHO GTPase Effectors","Cellular Senescence","Response of EIF2AK4 (GCN2) to amino acid deficiency","Signaling by BMP","HIV Infection","PI
P3 activates AKT signaling","GPCR downstream signalling","Toll-like Receptor Cascades","Phospholipid metabolism","Regulation of mitotic cell cycle","Signaling by FGFR in disease","Mitotic G2-G2/M phas
es","Signaling by Interleukins","Selective autophagy","Glycogen metabolism","rRNA processing in the nucleus and cytosol","M Phase","MAPK1/MAPK3 signaling","Signaling by PDGFR in disease","mTORC1-media
ted signalling","Clathrin-mediated endocytosis","Apoptotic execution phase","Transcriptional Regulation by TP53","Signaling by NTRK1 (TRKA)","Semaphorin interactions","Signaling by NTRK3 (TRKC)","G1 P
hase","EPH-Ephrin signaling","Interferon alpha/beta signaling","Activation of NMDA receptors and postsynaptic events","Insulin receptor signalling cascade","VEGFA-VEGFR2 Pathway","Parasite infection",
"Drug resistance of KIT mutants","Signaling by ROBO receptors","Golgi Associated Vesicle Biogenesis","Leishmania parasite growth and survival","RHO GTPases activate PAKs","Oxidative Stress Induced Sen
escence","HIV Life Cycle","Negative regulation of the PI3K/AKT network","G alpha (i) signalling events","Toll Like Receptor 4 (TLR4) Cascade","Toll Like Receptor 5 (TLR5) Cascade","PI Metabolism","Ant
iviral mechanism by IFN-stimulated genes","APC/C-mediated degradation of cell cycle proteins","Signaling by FGFR1 in disease","Signaling by FGFR3 in disease","RET signaling","G2/M Transition","Interle
ukin-2 family signaling","Interleukin-1 family signaling",Mitophagy,"Glycogen breakdown (glycogenolysis)","Major pathway of rRNA processing in the nucleolus and cytosol","Transcriptional Regulation by
 VENTX","Mitotic Metaphase and Anaphase","RAF/MAP kinase cascade","Transcriptional regulation by RUNX1","Drug resistance of PDGFR mutants","Toll Like Receptor 2 (TLR2) Cascade","Signaling by FGFR2 in 
disease","VEGF ligand-receptor interactions","G alpha (q) signalling events","Host Interactions of HIV factors","Cargo recognition for clathrin-mediated endocytosis","Apoptotic cleavage of cellular pr
oteins","Regulation of TP53 Activity","Signalling to ERK5","Sema4D in semaphorin signaling","Signalling to ERKs","Activated NTRK3 signals through PI3K","Cyclin D associated events in G1","EPHB-mediate
d forward signaling","Regulation of IFNA signaling","Post NMDA receptor activation events","Assembly and cell surface presentation of NMDA receptors","IRS-mediated signalling","VEGFR2 mediated cell pr
oliferation","Leishmania phagocytosis","Dasatinib-resistant KIT mutants","Activation of RAC1","Anti-inflammatory response favouring Leishmania parasite infection","Late Phase of HIV Life Cycle",PI5P,"
PP2A and IER3 Regulate PI3K/AKT Signaling","Visual phototransduction","MyD88-independent TLR4 cascade","MyD88 cascade initiated on plasma membrane","Synthesis of PIPs at the plasma membrane","ISG15 an
tiviral mechanism","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","FGFR1 mutant receptor activation","Signaling by FGFR3 point mutants in cancer","Centrosome maturation
","Interleukin-2 signaling","Interleukin-1 signaling","Receptor Mediated Mitophagy","Role of ABL in ROBO-SLIT signaling","Activation of TRKA receptors","Mitotic Anaphase","Interleukin-15 signaling","R
UNX1 regulates transcription of genes involved in BCR signaling","Ephrin signaling","Imatinib-resistant PDGFR mutants","Toll Like Receptor TLR6:TLR2 Cascade","EPHA-mediated growth cone collapse","FGFR
2 mutant receptor activation","VEGF binds to VEGFR leading to receptor dimerization","Gastrin-CREB signalling pathway via PKC and MAPK","The role of Nef in HIV-1 replication and disease pathogenesis",
"Regulation of TP53 Activity through Phosphorylation","Sema4D mediated inhibition of cell attachment and migration","Signalling to RAS","Activation of RAC1 downstream of NMDARs","PI3K Cascade","FCGR3A
-mediated phagocytosis","Activation of AMPK downstream of NMDARs","FCGR3A-mediated IL10 synthesis","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Transcription of 
the HIV genome","The phototransduction cascade","TRIF(TICAM1)-mediated TLR4 signaling","MAP kinase activation","Sema4D induced cell migration and growth-cone collapse","Prolonged ERK activation events
","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity through Acetylation","Signaling by activated point mutants of FGFR1","FGFR3 mutant receptor activation","Loss of p
roteins required for interphase microtubule organization from the centrosome","NGF-independant TRKA activation","CD163 mediating an anti-inflammatory response","Separation of Sister Chromatids","MyD88
:MAL(TIRAP) cascade initiated on plasma membrane","Activated point mutants of FGFR2","EGFR Transactivation by Gastrin","Nef-mediates down modulation of cell surface receptors by recruiting them to cla
thrin adapters","p38MAPK events","RSK activation","HIV Transcription Elongation",Inactivation,"recovery and regulation of the phototransduction cascade","IKK complex recruitment mediated by RIP1","MAP
K targets/ Nuclear events mediated by MAP kinases","ARMS-mediated activation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","PI5P Regulates 
TP53 Acetylation","Signaling by activated point mutants of FGFR3","Ras activation upon Ca2+ influx through NMDA receptor","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Loss of Nlp from mitot
ic centrosomes","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Frs2-mediated activation","activated TAK1 mediates p38 MAPK activation","Nef Mediated CD4 Down-regulation","Tat-mediated
 elongation of the HIV-1 transcript","CREB phosphorylation","APC-Cdc20 mediated degradation of Nek2A","ERK/MAPK targets","Formation of HIV-1 elongation complex containing HIV-1 Tat","ERKs are inactiva
ted"}

> <broad_targets>
{MET}

> <broad_moa>
{"c-Met inhibitor"}

> <synonyms>
{SCHEMBL93657,CHEBI:91394,ZINC33359844,S1070,PHA-665752}

> <pdid>
PD013025

> <targets>
{c-Met}

> <classes>
{}

> <pubchem_cids>
{87065666}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -3.8976    0.7553    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8912    5.2578    0.0000 C   0  0
   -5.1876    6.0124    0.0000 C   0  0
   -5.1824    7.5124    0.0000 C   0  0
   -3.8808    8.2579    0.0000 C   0  0
   -3.8756    9.7579    0.0000 O   0  0
   -2.5844    7.5034    0.0000 C   0  0
   -1.2828    8.2489    0.0000 O   0  0
   -2.5896    6.0034    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 20 13  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15892

> <plate>
PLATE 008

> <well>
D8

> <supplier_cmpd_name>
Butein

> <ctcr_id>
7365

> <supplier_cmpd_id>
T6427

> <smiles>
Oc1ccc(c(O)c1)C(=O)\C=C\c2ccc(O)c(O)c2

> <pd_targets>
{FABI,EGFR,SRC,ACE,HSD17B2,XDH,POL,AKR1B1,CDK2,BACE1,ALOX5,PTGS1,PTGS2,NFKB1,NFKB2,RELA}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Kinase,Protease,Oxidoreductase,Hydrolase,"Protein Kinase","Metallo protease","Aspartic protease","TK protein kinase group","Metallo protease MAE clan","CMGC protein k
inase group","Aspartic protease AA clan","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Metallo protease M2 family","CMGC protein kinase CDK family","Aspartic protease A1A
 subfamily","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Peptidases and proteinases","1.-.-.- Oxidoreductases","Kinases (EC 2.7.x.x)","Eicosanoid turnover","Receptor kinases","MA: Metallo (M) Peptidases","CMGC: Cont
aining CDK",MAPK,GSK3,"CLK families","AA: Aspartic (A) Peptidases",Lipoxygenases,"TK: Tyrosine kinase","M2: Angiotensin-converting  (ACE and ACE2)","Cyclin-dependent kinase (CDK) family","A1: Pepsin",
"Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","CDK1 subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{"Signal Transduction","Metabolism of proteins",Metabolism,"Gene expression (Transcription)","Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","Peptide hormone metabolism","Metabolism of li
pids","Metabolism of nucleotides","RNA Polymerase II Transcription","Amyloid fiber formation","GPCR downstream signalling","Signaling by NTRKs","Metabolism of Angiotensinogen to Angiotensins","Metabol
ism of steroids","Nucleobase catabolism","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","G alpha (q) signalling events","Signaling by NTRK1 (TRKA)","Metabo
lism of steroid hormones","Purine catabolism","Transcriptional Regulation by TP53","Biosynthesis of DPA-derived SPMs","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","Estrogen 
biosynthesis","Pregnenolone biosynthesis","Regulation of TP53 Activity","Biosynthesis of DPAn-3 SPMs","EGFR Transactivation by Gastrin","Signalling to RAS","Regulation of TP53 Expression and Degradati
on","Biosynthesis of DPAn-3-derived 13-series resolvins","p38MAPK events","Regulation of TP53 Degradation"}

> <broad_targets>
{ACE}

> <broad_moa>
{"EGFR inhibitor","SRC inhibitor"}

> <synonyms>
{butein,487-52-5,487525,"2',3,4,4'-Tetrahydroxychalcone","2',3,4,4'Tetrahydroxychalcone","2',4',3,4-Tetrahydroxychalcone","2',4',3,4Tetrahydroxychalcone","3,4,2',4'-Tetrahydroxychalcone","3,4,2',4'Tet
rahydroxychalcone",UNII-4WVS5M0LGF,UNII4WVS5M0LGF,"(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one","(E)1(2,4dihydroxyphenyl)3(3,4dihydroxyphenyl)prop2en1one",4WVS5M0LGF,CHEBI:3237,
CHEMBL128000,(2E)-1-(2,(2E)1(2,4-d,4d,T6427,S8036,Butein}

> <pdid>
PD010472

> <targets>
{EGFR}

> <classes>
{}

> <pubchem_cids>
{5281222}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 37 40  0  0  1  0            999 V2000
   10.2994   -2.2704    0.0000 Cl  0  0
    5.1852    3.0091    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0  2  0  0  0
    3.8939    0.7546    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  0  0
    5.2007   -1.4909    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0  2  0  0  0
    7.7988   -1.4819    0.0000 N   0  0
    6.4920    0.7636    0.0000 C   0  0  2  0  0  0
    7.7884    1.5180    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    1.3170    2.2180    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 O   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -5.1961   -7.5000    0.0000 C   0  0
   -3.8971   -8.2500    0.0000 C   0  0
   -2.5980   -7.5000    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2999    2.2084    0.0000 C   0  0
   -2.5993    1.4590    0.0000 O   0  0
   -1.2998    3.7084    0.0000 C   0  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  1
  7  9  1  0
  9  3  1  0
  9 10  1  1
  5 11  1  6
 12 11  1  1
 12 13  1  0
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 20  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 12  1  0
 34 17  1  0
 14 35  1  0
 35 36  2  0
 35 37  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15893

> <plate>
PLATE 008

> <well>
D9

> <supplier_cmpd_name>
Idarubicin HCl

> <ctcr_id>
7823

> <supplier_cmpd_id>
T6010

> <smiles>
Cl.C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@@H]2C[C@@](O)(Cc3c(O)c4C(=O)c5ccccc5C(=O)c4c(O)c23)C(=O)C

> <pd_targets>
{PMP22,SKA,THRB,RECQL,KMT2A,MEN1,KDM4E,BLM,HSF1,ALDH1A1,LMNA,NFO,MAPT,USP2,APEX1,RORC,POLB,HTT,MAPK1,MTOR,TOP2A,CHRM1,HBB,DAF-12,GNAI1,RGS12,STAT6,BRCA1,CYP1A2,HIF1A,ALOX15,TP53,THPO,CYP3A4,NFKB1,TSHR
,NR1H2,S100A4,PAX8}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Transcription factor","Epigenetic regulator","Other cytosolic protein","Other nuclear protein",Kinase,"Nuclear receptor",Reader,Eraser,Oxidoreductase,Hydrolase,Protease
,Isomerase,"Nuclear hormone receptor subfamily 1",Bromodomain,"Lysine demethylase","Cysteine protease","Protein Kinase","Nuclear hormone receptor subfamily 1 group A","Jumonji domain-containing","Cyst
eine protease CA clan","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group A member 2","Cysteine prot
ease C19 family","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRA
P subfamily","Membrane receptor","Secreted protein","Family A G protein-coupled receptor","Cytochrome P450","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","Cytochrome P450 family
 3","Peptide receptor (family A GPCR)","Monoamine receptor","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group H","Acetylcholin
e receptor","Cytochrome P450 1A1","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group H member 3"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Chromatin modifying enzymes","Peptidases and proteinases","Kinases (EC 2.7.x.x)","DNA topoisomerases","1A. Thyroid hormone receptors","1.14.11.- Histone
 demethylases","CA: Cysteine (C) Peptidases","2.1.1.43 Histone methyltransferases (HMTs)","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Atypical,"C19: Ubiquitin-s
pecific protease","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily","Other protein targets","G protein-
coupled receptors","Transcription factors","Cytochrome P450","Eicosanoid turnover","Acetylcholine receptors (muscarinic)","STAT transcription factors","CYP1 family",Lipoxygenases,"CYP3 family","Glycop
rotein hormone receptors","1H. Liver X receptor-like receptors"}

> <pathway_reactome>
{"Developmental Biology","Metabolism of proteins","DNA Repair","Cellular responses to external stimuli",Metabolism,"Cell Cycle","Neuronal System","Gene expression (Transcription)","Immune System","Ner
vous system development","Post-translational protein modification","DNA Double-Strand Break Repair","Cellular responses to stress","Biological oxidations",Mitotic,"Transmission across Chemical Synapse
s","RNA Polymerase II Transcription","Base Excision Repair","Innate Immune System","EGR2 and SOX10-mediated initiation of Schwann cell myelination",SUMOylation,"Homology Directed Repair","Cellular res
ponse to heat stress","Phase I - Functionalization of compounds","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Resolution of Abasic Sites
 (AP sites)","Toll-like Receptor Cascades","Mitotic G1 phase and G1/S transition","SUMO E3 ligases SUMOylate target proteins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SS
A)","HSF1-dependent transactivation","Ethanol oxidation","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation by TP53","Transcriptional r
egulation by RUNX1","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Transcriptional regulation by RUNX3","Transcriptional Regulation by MECP2","Toll Like Receptor 5 (TL
R5) Cascade","G0 and Early G1","SUMOylation of intracellular receptors","HDR through Homologous Recombination (HRR)","Attenuation phase","Mitotic Anaphase","Post NMDA receptor activation events","Regu
lation of TP53 Activity","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","PCNA-Dependent Long Patch Base Excision Repair","RUNX3 Regulates Immune Response and C
ell Migration","Regulation of MECP2 expression and activity","MyD88 cascade initiated on plasma membrane","Transcription of E2F targets under negative control by DREAM complex","Homologous DNA Pairing
 and Strand Exchange","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression and Degradation","MAP kinase activation","Presynaptic phase of homolog
ous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs 
are inactivated","Signal Transduction",Hemostasis,Disease,"Signaling by GPCR","Metabolism of lipids","Cell Cycle Checkpoints","Platelet activation","signaling and aggregation","Cytokine Signaling in I
mmune system","Infectious disease","GPCR ligand binding","Neutrophil degranulation","Cytosolic sensors of pathogen-associated DNA","Cellular response to hypoxia","Biosynthesis of specialized proresolv
ing mediators (SPMs)","G1/S DNA Damage Checkpoints","Platelet Aggregation (Plug Formation)","Signaling by Interleukins","Leishmania infection","Class A/1 (Rhodopsin-like receptors)","STING mediated in
duction of host immune responses","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DPA-derived SPMs","p53-Depe
ndent G1/S DNA damage checkpoint","Biosynthesis of DHA-derived SPMs","Interleukin-1 family signaling","Leishmania parasite growth and survival","Amine ligand-binding receptors","STAT6-mediated inducti
on of chemokines",Xenobiotics,"Biosynthesis of DPAn-3 SPMs","p53-Dependent G1 DNA Damage Response","Biosynthesis of maresins","Interleukin-1 signaling","Anti-inflammatory response favouring Leishmania
 parasite infection","Muscarinic acetylcholine receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of DPAn-3-derived protectins and resolvins","Stabilization of
 p53","Biosynthesis of maresin-like SPMs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","ADORA2B mediated anti-inflammatory cytokines production","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{TOP2A}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{AKOS015895682,SW219421-1,SW2194211,T6010,S1228,"Idarubicin HCl"}

> <pdid>
PD002710

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{51066564}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 20  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
    1.3039   -3.7494    0.0000 C   0  0  1  0  0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6071   -5.9984    0.0000 O   0  0
    0.0093   -6.0025    0.0000 O   0  0
    2.6016   -2.9971    0.0000 N   0  0
    0.0000    3.0008    0.0000 N   0  3
    1.2993    3.7521    0.0000 C   0  0
    1.2992    5.2529    0.0000 C   0  0
    2.5978    6.0037    0.0000 Cl  0  0
   -1.2999    3.7508    0.0000 C   0  0
   -1.3014    5.2516    0.0000 C   0  0
   -2.6007    6.0012    0.0000 Cl  0  0
   -0.0007    4.5008    0.0000 O   0  5
    7.6078    0.0006    0.0000 Cl  0  0
    5.1078    0.0006    0.0000 Cl  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
  8 12  1  6
  3 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 13 17  1  0
 17 18  1  0
 18 19  1  0
 13 20  1  0
M  CHG  2  13   1  20  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15894

> <plate>
PLATE 008

> <well>
D10

> <supplier_cmpd_name>
PX-478 2HCl

> <ctcr_id>
11503

> <supplier_cmpd_id>
T6961

> <smiles>
c1cc(ccc1C[C@@H](C(=O)O)N)[N+](CCCl)(CCCl)[O-].Cl.Cl

> <pd_targets>
{HIF1A}

> <pathway_gtopdb>
{"Transcription factor"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cellular responses to external stimuli","Cellular responses to stress","Cellular response to hypoxia","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha"}

> <broad_targets>
{}

> <broad_moa>
{"hypoxia inducible factor inhibitor"}

> <synonyms>
{"X478 2HC",PX-478,PX478,685898-44-6,685898446,"PX-478 2HCl","PX478 2HCl",UNII-T23U22X160,UNIIT23U22X160,"PX 478","PX-478 HCl","PX478 HCl",CHEMBL4061538,T23U22X160,"685898-44-6 (HCl)","685898446 (HCl)
","L-Phenylalanine, 4-(bis(2-chloroethyl)oxidoaMino)-, (Hydrochloride) (1","LPhenylalanine, 4(bis(2chloroethyl)oxidoaMino), (Hydrochloride) (1","PX-478 dihydrochloride","PX478 dihydrochloride",4-(Bis(
2-chloroethyl),4(Bis(2chloroethyl),T6961}

> <pdid>
PD062187

> <targets>
{HIF-1¦Á,Autophagy,HIF/HIF Prolyl-Hydroxylase}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{11234794}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 N   0  0
    0.0049   -5.9994    0.0000 C   0  0
    0.0102   -7.4994    0.0000 C   0  0
    1.3118   -8.2449    0.0000 C   0  0
    2.6082   -7.4904    0.0000 C   0  0
    2.6030   -5.9904    0.0000 C   0  0
    1.3014   -5.2449    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 F   0  0
   -3.8971   -0.7500    0.0000 N   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2947    3.7531    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  1  1  0
 11  6  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
  8 19  1  0
  7 20  1  0
  3 21  1  0
 21 22  2  0
 21 23  1  0
  1 24  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15895

> <plate>
PLATE 008

> <well>
D11

> <supplier_cmpd_name>
AS1842856

> <ctcr_id>
11504

> <supplier_cmpd_id>
T6762

> <smiles>
n1(cc(c(=O)c2c(c(c(cc12)NC1CCCCC1)F)N)C(=O)O)CC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AS1842856,836620-48-5,836620485,"AS 1842856",AS-1842856,"FOXO1 inhibitor",SCHEMBL17387387,CHEBI:145800,BCP17382,EX-A2538,EXA2538,s8222,ZINC68248381,AKOS032945046,CCG-267998,CCG267998,CS-6192,CS6192,A
K685663,BS-17713,BS17713,HY-100596,HY100596,"AS-1842856;AS 1842856","AS1842856;AS 1842856",T6762}

> <pdid>
PD071517

> <targets>
{"Forkhead box protein O1 (FOXO1)"}

> <classes>
{Apoptosis}

> <pubchem_cids>
{72193864}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 26  0  0  0  0            999 V2000
   13.8406   -5.3559    0.0000 O   0  0
   11.3406   -5.3559    0.0000 O   0  0
    6.4897   -5.2632    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1929   -3.0062    0.0000 C   0  0
    5.1933   -1.5062    0.0000 O   0  0
    6.4919   -3.7562    0.0000 O   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 O   0  0
    6.4855   -8.2648    0.0000 N   0  0
    7.8369   -7.6438    0.0000 C   0  0
    8.8406   -8.7585    0.0000 C   0  0
    8.0906  -10.0575    0.0000 C   0  0
    6.6233   -9.7456    0.0000 C   0  0
    5.5044  -10.7419    0.0000 C   0  0
    5.8070  -12.2110    0.0000 O   0  0
    4.0806  -10.2699    0.0000 O   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  6 15  1  0
 15 16  2  0
 15 17  1  0
  4 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15896

> <plate>
PLATE 008

> <well>
E2

> <supplier_cmpd_name>
Enalaprilat Dihydrate

> <ctcr_id>
1964

> <supplier_cmpd_id>
T6340

> <smiles>
O.O.CC(NC(CCc1ccccc1)C(=O)O)C(=O)N2CCCC2C(=O)O

> <pd_targets>
{ACE,ACE2}

> <pathway_gtopdb>
{Enzyme,Protease,"Metallo protease","Metallo protease MAE clan","Metallo protease M2 family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","MA: Metallo (M) Peptidases","M2: Angiotensin-converting  (ACE and ACE2)"}

> <pathway_reactome>
{"Metabolism of proteins",Disease,"Peptide hormone metabolism","Infectious disease","Metabolism of Angiotensinogen to Angiotensins","SARS-CoV Infections","SARS-CoV-1 Infection","Attachment and Entry"}

> <broad_targets>
{ACE}

> <broad_moa>
{"angiotensin converting enzyme inhibitor"}

> <synonyms>
{HMS3651I15,AK671149,LS-14675,LS14675,T6340,S1657,"Enalaprilat Dihydrate"}

> <pdid>
PD003008

> <targets>
{RAAS}

> <classes>
{"Endocrinology & Hormones"}

> <pubchem_cids>
{21585234}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 42 46  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -9.0998    3.7409    0.0000 C   0  0
  -10.3985    2.9886    0.0000 N   0  0
  -11.7520    3.6049    0.0000 C   0  0
  -12.7518    2.4866    0.0000 C   0  0
  -11.9973    1.1902    0.0000 C   0  0  1  0  0  0
  -12.5990   -0.1819    0.0000 N   0  0
  -11.7114   -1.3910    0.0000 C   0  0
  -14.0900   -0.3465    0.0000 C   0  0
  -10.5312    1.5072    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -6.4995    5.2440    0.0000 C   0  0
   -7.7981    5.9948    0.0000 F   0  0
   -5.2003    5.9937    0.0000 F   0  0
   -6.4989    6.7440    0.0000 F   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 N   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -5.1991   -2.9856    0.0000 C   0  0
   -6.5020   -3.7290    0.0000 C   0  0
   -7.7973   -2.9724    0.0000 N   0  0
   -7.7897   -1.4725    0.0000 C   0  0
   -6.4869   -0.7290    0.0000 N   0  0
   -5.1917   -1.4855    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  6
 18 19  1  0
 18 20  1  0
 17 21  1  0
 21 14  1  0
 12 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 22 27  2  0
 27  9  1  0
  5 28  1  0
 28 29  2  0
 29  2  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 36  1  0
 35 42  2  0
 42 31  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15897

> <plate>
PLATE 008

> <well>
E3

> <supplier_cmpd_name>
Bafetinib

> <ctcr_id>
11505

> <supplier_cmpd_id>
T6311

> <smiles>
Cc1ccc(NC(=O)c2ccc(CN3CC[C@@H](N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(c2cncnc2)n1

> <pd_targets>
{LYN,ABL1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase Src family","Tyrosine protein kinase Abl family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Src family","Abl family"}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Parasite infection","Anti-inflammatory response favouring Leishmania parasite infection","Leishmania pha
gocytosis","FCGR3A-mediated IL10 synthesis","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{ABL1,BCR,LYN}

> <broad_moa>
{"Bcr-Abl kinase inhibitor","LYN tyrosine kinase inhibitor"}

> <synonyms>
{CHEMBL536073,SCHEMBL677506,CHEMBL206034,BDBM50208747,ZINC28571624,T6311,Bafetinib}

> <pdid>
PD015660

> <targets>
{Abl,Lyn}

> <classes>
{Angiogenesis,"Cytoskeletal Signaling"}

> <pubchem_cids>
{11215316}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    2.2703   -4.0022    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0
   -0.6870   -2.7320    0.0000 O   0  0
    0.7500   -4.3800    0.0000 C   0  0
   -0.2670   -5.4825    0.0000 O   0  0
    2.2141   -4.7101    0.0000 C   0  0
    2.6609   -6.1420    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14  8  1  0
 14 15  1  0
 14 16  1  0
 16  5  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20  4  1  0
 20 21  1  0
 20 22  1  0
 22  2  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15898

> <plate>
PLATE 008

> <well>
E4

> <supplier_cmpd_name>
Meprednisone

> <ctcr_id>
6775

> <supplier_cmpd_id>
T6580

> <smiles>
CC1CC2C3CCC4=CC(=O)C=CC4(C)C3C(=O)CC2(C)C1(O)C(=O)CO

> <pd_targets>
{NR3C1}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 3 group C member 1"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","FOXO-mediated transcription","FOXO-mediated transcription of oxidative stress","metabolic and neur
onal genes"}

> <broad_targets>
{NR3C1}

> <broad_moa>
{}

> <synonyms>
{Betapar,Betanisona,Bitanisone,Betalone,Lepicortin-beta,Lepicortinbeta,"Deltisona B","Deltacortene beta",Betapred,"Deltacortone Beta",NSC-527579,NSC527579,"Dexamethasone Impurity J",16.beta.-Methylpre
dnisone,16.beta.Methylprednisone,AKOS015895270,LS-14958,LS14958,FT-0659009,FT0659009,FT-0671646,FT0671646,Preg,T6580,S1689,Meprednisone}

> <pdid>
PD012156

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{4063}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0093    6.0025    0.0000 O   0  0
   -2.6078    5.9988    0.0000 N   0  0
   -3.9044    5.2443    0.0000 C   0  0
   -5.2060    5.9898    0.0000 C   0  0
   -5.2112    7.4898    0.0000 C   0  0
   -3.9148    8.2443    0.0000 C   0  0
   -2.6131    7.4988    0.0000 C   0  0
   -1.3167    8.2533    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 10  1  0
 15 16  2  0
  5 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  2  0
 21  3  1  0
 21 22  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15899

> <plate>
PLATE 008

> <well>
E5

> <supplier_cmpd_name>
Piperlongumine

> <ctcr_id>
2051

> <supplier_cmpd_id>
T6947

> <smiles>
COc1cc(\C=C\C(=O)N2CCC=CC2=O)cc(OC)c1OC

> <pd_targets>
{ALDH1A1,MAPT,RORC,MAPK1,TP53,STAT3,CYP3A4,AMPC,TXNRD1,MITF,PAX8}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Transcription factor","Unclassified protein",Oxidoreductase,"Nuclear receptor",Kinase,"Cytochrome P450",Hydrolase,"Nuclear hormone receptor subfamily 1","Protein Kin
ase","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F member 3","CMGC pro
tein kinase MAPK family","Cytochrome P450 3A4","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Transcription factors","Cytochrome P450","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,
GSK3,"CLK families","STAT transcription factors","CYP3 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Gene expression (Transcription)","Immune System","Cell Cycle",Disease,"Metabolism of proteins","Biological oxidations","Transmission across Chemical Synapses","RNA Polym
erase II Transcription","Innate Immune System","Cell Cycle Checkpoints","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","Post-translational pr
otein modification","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Toll-like Receptor Cascades","G1/S DNA
 Damage Checkpoints","Signaling by FGFR in disease","Biosynthesis of specialized proresolving mediators (SPMs)",SUMOylation,"Ethanol oxidation","Activation of NMDA receptors and postsynaptic events","
Transcriptional regulation by RUNX3","Toll Like Receptor 5 (TLR5) Cascade","p53-Dependent G1/S DNA damage checkpoint","Signaling by FGFR1 in disease","Biosynthesis of DHA-derived SPMs","Transcriptiona
l Regulation by TP53","SUMO E3 ligases SUMOylate target proteins","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","MyD88 cascade initiated on plasma membran
e","p53-Dependent G1 DNA Damage Response","FGFR1 mutant receptor activation","Biosynthesis of maresins","TP53 Regulates Metabolic Genes","SUMOylation of transcription factors","Activation of AMPK down
stream of NMDARs","MAP kinase activation","Stabilization of p53","Signaling by cytosolic FGFR1 fusion mutants","Biosynthesis of maresin-like SPMs","MAPK targets/ Nuclear events mediated by MAP kinases
","Autodegradation of the E3 ubiquitin ligase COP1","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Piplartine,20069-09-4,20069094,Piperlongumin,UNII-SGD66V4SVJ,UNIISGD66V4SVJ,"(E)-1-(3-(3,4,5-trimethoxyphenyl)acryloyl)-5,6-dihydropyridin-2(1H)-one","(E)1(3(3,4,5trimethoxyphenyl)acryloyl)5,6dihydro
pyridin2(1H)one",CHEBI:8241,SGD66V4SVJ,MFCD00075706,ST079382,BRD2293,Piplartin,BRD-2293,PPLGM,(E)-1-(3-(3,(E)1(3(3,4,5-Trimethox,5Trimethox,T6947,1505135,PIPLARTINE,Piperlongumine}

> <pdid>
PD000606

> <targets>
{Apoptosis,Autophagy,Bacterial,ERK,Ferroptosis,Reactive Oxygen Species}

> <classes>
{anti-asthma,antibronchitis,Anti-infection,Apoptosis,Autophagy,Immunology/Inflammation,MAPK/ERK Pathway,Metabolic Enzyme/Protease,NF-ºB,Stem Cell/Wnt}

> <pubchem_cids>
{637858}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 23 22  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 O   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6109    7.4996    0.0000 C   0  0
   -3.9118    8.2481    0.0000 C   0  0
   -3.9149    9.7490    0.0000 N   0  0
   -5.2157   10.4975    0.0000 C   0  0
   -5.2188   11.9975    0.0000 N   0  0
   -6.5134    9.7452    0.0000 N   0  0
    6.3990    4.4988    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
  5 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15900

> <plate>
PLATE 008

> <well>
E6

> <supplier_cmpd_name>
Leonurine hydrochloride

> <ctcr_id>
11506

> <supplier_cmpd_id>
T4080

> <smiles>
COc1cc(cc(c1O)OC)C(=O)OCCCCNC(=N)N.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"anti-inflammatory agent"}

> <synonyms>
{24735-18-0,24735180,"Leonurine hydrochloride","4-Guanidinobutyl 4-hydroxy-3,5-dimethoxybenzoate hydrochloride","4Guanidinobutyl 4hydroxy3,5dimethoxybenzoate hydrochloride","Leonurine (hydrochloride)"
,"SCM-198 hydrochloride","SCM198 hydrochloride","Leonurin monohydrochloride","Leonurine HCl",C14H22ClN3O5,HY-N0741A,HYN0741A,DTXSID3,T4080}

> <pdid>
PD063778

> <targets>
{TLR}

> <classes>
{Immunology/Inflammation}

> <pubchem_cids>
{46837042}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 S   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5923   -4.5039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 N   0  0
   -5.1253   -4.3743    0.0000 C   0  0
   -6.5925   -4.6865    0.0000 C   0  0
   -7.0558   -6.1132    0.0000 C   0  0
   -6.0519   -7.2277    0.0000 C   0  0
   -6.5125   -8.6561    0.0000 C   0  0
   -5.5065   -9.7699    0.0000 N   0  0
   -5.9647  -11.1982    0.0000 C   0  0
   -4.9570  -12.3093    0.0000 C   0  0
   -3.4909  -11.9921    0.0000 C   0  0
   -3.0326  -10.5638    0.0000 C   0  0
   -4.0403   -9.4527    0.0000 C   0  0
   -4.5847   -6.9156    0.0000 C   0  0
   -4.1214   -5.4890    0.0000 C   0  0
   -2.1880   -3.7544    0.0000 C   0  0
   -2.6517   -5.1810    0.0000 C   0  0
   -1.6482   -6.2959    0.0000 C   0  0
   -0.1809   -5.9844    0.0000 C   0  0
    0.2829   -4.5579    0.0000 C   0  0
   -0.7206   -3.4429    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 20 28  1  0
 28 29  2  0
 29 17  1  0
 15 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 14 36  1  0
 36 10  1  0
 36 37  2  0
 37  7  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15901

> <plate>
PLATE 008

> <well>
E7

> <supplier_cmpd_name>
Hesperadin

> <ctcr_id>
7147

> <supplier_cmpd_id>
T6532

> <smiles>
CC[S](=O)(=O)Nc1ccc2NC(=O)\C(=C(Nc3ccc(CN4CCCCC4)cc3)\c5ccccc5)c2c1

> <pd_targets>
{AURKB-A,PAK2,FES,SLC2A1,BRSK2,LMGT2,AURKB,RPS6KA4,AURKA,RPS6KA5,TYK2,HT1,PRKAA1,PTK2B,LTK,ROS1,PTK2,MELK}

> <pathway_gtopdb>
{Enzyme,Transporter,Kinase,"Electrochemical transporter","Protein Kinase","SLC superfamily of solute carriers","STE protein kinase group","TK protein kinase group","SLC02 family of hexose and sugar al
cohol transporters","CAMK protein kinase group","Other protein kinase group","AGC protein kinase group","STE protein kinase STE20 family","Tyrosine protein kinase Fer family","CAMK protein kinase CAMK
1 family","Other protein kinase AUR family","AGC protein kinase RSK family","Tyrosine protein kinase JakA family","Tyrosine protein kinase Fak family","Tyrosine protein kinase Alk family","Tyrosine pr
otein kinase Sev family","STE protein kinase PAKA subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinase MSK subfamily","CAMK protein kinase AMPK subfamily","CAMK protein kinase MELK subf
amily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Kinases (EC 2.7.x.x)","Catalytic receptors","SLC superfamily of solute carriers","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Receptor kinases
","SLC2 family of hexose and sugar alcohol transporters","CAMK: Calcium/calmodulin-dependent protein kinases","AGC: Containing PKA",PKG,"PKC families","STE20 family","TK: Tyrosine kinase","Class I tra
nsporters","CAMK-like (CAMKL) family","Other protein kinases","RSK family","PAKA subfamily","Non-receptor tyrosine kinases (nRTKs)","BRSK subfamily","Aurora kinase (Aur) family","MSK subfamily","AMPK 
subfamily","Receptor tyrosine kinases (RTKs)","MELK subfamily","Fer family","Janus kinase (JakA) family","Fak family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XVII RTKs: 
ROS receptors"}

> <pathway_reactome>
{Disease,"Developmental Biology","Cell Cycle","Gene expression (Transcription)","Immune System","Infectious disease","Nervous system development","Disorders of transmembrane transporters",Mitotic,"RNA
 Polymerase II Transcription","Innate Immune System","Cytokine Signaling in Immune system","HIV Infection","Axon guidance","SLC transporter disorders","M Phase","Generic Transcription Pathway","Toll-l
ike Receptor Cascades","Interferon Signaling","Signaling by Interleukins","Leishmania infection","Host Interactions of HIV factors","Semaphorin interactions","Defective SLC2A1 causes GLUT1 deficiency 
syndrome 1 (GLUT1DS1)","Mitotic Metaphase and Anaphase","L1CAM interactions","Transcriptional Regulation by TP53","Toll Like Receptor 5 (TLR5) Cascade","Interferon alpha/beta signaling","Interleukin-2
 family signaling","Parasite infection","The role of Nef in HIV-1 replication and disease pathogenesis","CRMPs in Sema3A signaling","Mitotic Anaphase","Recycling pathway of L1","Regulation of TP53 Act
ivity","MyD88 cascade initiated on plasma membrane","Regulation of IFNA signaling","Interleukin-2 signaling","Leishmania phagocytosis","Nef and signal transduction","Separation of Sister Chromatids","
Regulation of TP53 Activity through Phosphorylation","MAP kinase activation","FCGR3A-mediated phagocytosis","MAPK targets/ Nuclear events mediated by MAP kinases","CREB phosphorylation"}

> <broad_targets>
{AURKB}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{Hesperadin,S1529}

> <pdid>
PD010990

> <targets>
{Aurora,"Aurora Kinase"}

> <classes>
{}

> <pubchem_cids>
{10142586}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0031    0.0000 O   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -3.8974   -0.7525    0.0000 C   0  0
   -3.0315   -1.2526    0.0000 O   0  0
   -5.1971   -1.5031    0.0000 O   0  0
   -5.1979   -3.0031    0.0000 C   0  0
   -6.5018    3.7420    0.0000 O   0  0
   -7.7986    2.9880    0.0000 C   0  0
   -3.5923    5.2153    0.0000 O   0  0
   -2.1008    5.3745    0.0000 C   0  0
   -1.4885    4.0052    0.0000 O   0  0
    0.3114    2.9665    0.0000 O   0  0
    1.8032    3.1233    0.0000 C   0  0
    2.4133    1.7530    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 14 21  1  0
 21 22  1  0
 13 23  1  0
 23 24  1  0
 24 25  1  0
 25 12  1  0
  5 26  1  0
 26 27  1  0
 27 28  1  0
 28  4  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15902

> <plate>
PLATE 008

> <well>
E8

> <supplier_cmpd_name>
Bicyclol

> <ctcr_id>
11265

> <supplier_cmpd_id>
T4121

> <smiles>
COc1c2c(c(c(c1)CO)c1c3c(c(cc1C(=O)OC)OC)OCO3)OCO2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{HSPA1A,HSPB1}

> <broad_moa>
{"NFkB pathway inhibitor"}

> <synonyms>
{118159-48-1,118159481,"118159 48 1",UNII-9734122TH2,UNII9734122TH2,"UNII 9734122TH2",9734122TH2,"Bicyclol (WHO-DD)","Bicyclol (WHODD)","Bicyclol (WHO DD)","SY 801",CHEMBL482035,SCHEMBL9600725,"Bicycl
ol, >=98 (HPLC)",AOB5351,DTXSID30152026,BCP25554,HY-B0766,HYB0766,"HY B0766",ZINC2012988,2966AA,ANW-70752,ANW70752,"ANW 70752",s6453,AS-16866,AS16866,"AS 16866",J-003718,J003718,"J 003718",Q27271958,T
4121,Bicyclol}

> <pdid>
PD041447

> <targets>
{HBV}

> <classes>
{Microbiology&Virology}

> <pubchem_cids>
{9821754}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 18 18  0  0  1  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 S   0  0
    1.3000   -0.7500    0.0000 O   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.5993    0.0004    0.0000 O   0  0
    5.1005   -3.8709    0.0000 C   0  0
    6.1021   -2.7543    0.0000 C   0  0
    7.1043   -1.6371    0.0000 C   0  0
    6.6387   -0.2103    0.0000 N   0  0
    7.6392    0.9050    0.0000 C   0  0  2  0  0  0
    9.1310    0.7482    0.0000 C   0  0
    9.7411    2.1185    0.0000 C   0  0
    8.6268    3.1215    0.0000 C   0  0
    8.6267    4.6215    0.0000 C   0  0
    7.3277    5.3715    0.0000 C   0  0
    6.0287    4.6215    0.0000 C   0  0
    6.0287    3.1215    0.0000 C   0  0
    7.3277    2.3715    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  2  5  2  0
  6  7  3  0
  7  8  1  0
  8  9  1  0
 10  9  1  1
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 10  1  0
 18 13  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15903

> <plate>
PLATE 008

> <well>
E9

> <supplier_cmpd_name>
Rasagiline Mesylate

> <ctcr_id>
7169

> <supplier_cmpd_id>
T6962

> <smiles>
C[S](O)(=O)=O.C#CCN[C@@H]1CCc2ccccc12

> <pd_targets>
{MAOA,MAOB,ACHE,BCHE,BCL2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Oxidoreductase,Hydrolase,"Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Catecholamine turnover","Acetylcholine turnover","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{Metabolism,"Immune System","Biological oxidations","Metabolism of lipids","Innate Immune System","Phase I - Functionalization of compounds","Phospholipid metabolism","Nucleotide-binding domain","leuc
ine rich repeat containing receptor (NLR) signaling pathways","Amine Oxidase reactions","Glycerophospholipid biosynthesis",Inflammasomes,"Biogenic amines are oxidatively deaminated to aldehydes by MAO
A and MAOB","Synthesis of PC","The NLRP1 inflammasome"}

> <broad_targets>
{BCL2,MAOB}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{"Rasagiline mesylate",161735-79-1,161735791,Azilect,"Rasagiline mesilate",TVP-1012,TVP1012,"(R)-N-(Prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine methanesulfonate","(R)N(Prop2yn1yl)2,3dihydro1Hinden1am
ine methanesulfonate","Rasagiline (mesylate)","Rasagiline mesylate (USAN)",UNII-LH8C2JI290,UNIILH8C2JI290,MFCD08460604,LH8C2JI290,"TV 1012",NC,S2102,"Rasagiline Mesylate"}

> <pdid>
PD006676

> <targets>
{MAO}

> <classes>
{}

> <pubchem_cids>
{3052775}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    6.3982    3.5181    0.0000 Na  0  3
    3.8976   -0.7553    0.0000 O   0  5
    2.5973   -1.5031    0.0000 N   0  3
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 O   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 C   0  0
   -4.8211    4.6570    0.0000 C   0  0
   -6.3142    4.8094    0.0000 N   0  0
   -6.9296    6.1782    0.0000 N   0  0
   -6.1728    7.4585    0.0000 C   0  0
   -7.1783    8.5716    0.0000 C   0  0
   -6.8688   10.0393    0.0000 O   0  0
   -8.5476    7.9593    0.0000 N   0  5
   -8.3884    6.4677    0.0000 C   0  0
   -9.4955    5.4557    0.0000 O   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  2  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 18  1  0
 23 24  2  0
M  CHG  4   1   1   2  -1   3   1  22  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15904

> <plate>
PLATE 008

> <well>
E10

> <supplier_cmpd_name>
Dantrolene sodium hemiheptahydrate

> <ctcr_id>
2658

> <supplier_cmpd_id>
T4054

> <smiles>
[Na+].[O-][N+](=O)c1ccc(cc1)c2oc(cc2)\C=N\N3CC(=O)[N-]C3=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Dantrolene sodium salt","DANTROLENE SODIUM",Dantrium,"Dantrolene, Sodium Salt",14663-23-1,14663231,"Dantrolene (sodium)",UNII-28F0G1E0VF,UNII28F0G1E0VF,"Dantrolene Sodium (anhydrous)","Dantrolene so
dium anhydrous",1-((5-(p-Nitrophenyl)furfurylidene)amino)hy,1((5(pNitrophenyl)furfurylidene)amino)hy,T4054,T0077,1503209,Prestw-291,"Dantrolene sodium hemiheptahydrate"}

> <pdid>
PD001049

> <targets>
{}

> <classes>
{"muscle relaxant (skeletal)"}

> <pubchem_cids>
{6604100,13271066,73896913}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 40 46  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 N   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 N   0  0
   -6.4469    1.8311    0.0000 C   0  0
   -7.4153    2.9701    0.0000 C   0  0
   -8.8906    2.6991    0.0000 C   0  0
   -9.3937    1.2860    0.0000 C   0  0
   -8.4213    0.1438    0.0000 C   0  0
   -6.9460    0.4147    0.0000 C   0  0
   -4.8193    4.6606    0.0000 C   0  0
   -4.0353    5.9336    0.0000 C   0  0
   -4.7489    7.2530    0.0000 C   0  0
   -6.2483    7.2947    0.0000 C   0  0
   -7.0341    6.0170    0.0000 C   0  0
   -6.3205    4.6976    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    4.8092   -4.6676    0.0000 C   0  0
    6.2798   -4.9368    0.0000 C   0  0
    6.7829   -6.3499    0.0000 C   0  0
    5.8106   -7.4921    0.0000 C   0  0
    4.3352   -7.2212    0.0000 C   0  0
    3.8322   -5.8080    0.0000 C   0  0
    6.4458   -1.8433    0.0000 C   0  0
    7.1563   -0.5278    0.0000 C   0  0
    8.6557   -0.4861    0.0000 C   0  0
    9.4415   -1.7638    0.0000 C   0  0
    8.7279   -3.0832    0.0000 C   0  0
    7.2285   -3.1249    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
  9 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
  1 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 24  2  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 29  1  0
 26 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 35  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15905

> <plate>
PLATE 008

> <well>
E11

> <supplier_cmpd_name>
MSX-130

> <ctcr_id>
11507

> <supplier_cmpd_id>
T4033

> <smiles>
c1(ccc(cc1)c1nc(c([nH]1)c1ccccc1)c1ccccc1)c1[nH]c(c(n1)c1ccccc1)c1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SX13,MSX-130,MSX130,4051-59-6,4051596,"2-(4-(4,5-diphenyl-1H-imidazol-2-yl)phenyl)-4,5-diphenyl-1H-imidazole","2(4(4,5diphenyl1Himidazol2yl)phenyl)4,5diphenyl1Himidazole","2,2'-(1,4-Phenylene)bis(4,5
-diphenyl-1H-imidazole)","2,2'(1,4Phenylene)bis(4,5diphenyl1Himidazole)",CHEMBL235902,SCHEMBL5074753,BDBM194525,"MSX 130; MSX130",BCP30792,ZINC3132858,AKOS003598566,MCULE-291501,MCULE291501,T4033}

> <pdid>
PD064935

> <targets>
{CXCR4}

> <classes>
{Autophagy,"GPCR/G Protein",Immunology/Inflammation}

> <pubchem_cids>
{4547410}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 N   0  0
   -3.8916    3.7585    0.0000 C   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -2.5847    6.0040    0.0000 O   0  0
   -1.2883    5.2495    0.0000 C   0  0
   -1.2935    3.7495    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8915   -3.7585    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    2.5847   -6.0040    0.0000 O   0  0
    1.2883   -5.2495    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  4  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  9  1  0
  2 15  1  0
  1 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15906

> <plate>
PLATE 008

> <well>
F2

> <supplier_cmpd_name>
MSX-127

> <ctcr_id>
11508

> <supplier_cmpd_id>
T4032

> <smiles>
c1(c(cc(c(c1)O)CN1CCOCC1)O)CN1CCOCC1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SX12,MSX-127,MSX127,6616-56-4,6616564,"2,5-bis(morpholin-4-ylmethyl)benzene-1,4-diol","2,5bis(morpholin4ylmethyl)benzene1,4diol","Hydroquinone, 2,5-bis(morpholinomethyl)-","Hydroquinone, 2,5bis(morph
olinomethyl)",NSC-23026,NSC23026,"2,5-Bis(morpholinomethyl)hydroquinone","2,5Bis(morpholinomethyl)hydroquinone","2,5-bis-(morpholinomethyl)-hydroquinone","2,5bis(morpholinomethyl)hydroquinone","2,5-bi
s(morpholinomethyl)benzene-1,4-diol","2,5bis(morpholinomethyl)benzene1,4diol",2,T4032}

> <pdid>
PD064959

> <targets>
{CXCR4}

> <classes>
{Autophagy,"GPCR/G Protein",Immunology/Inflammation}

> <pubchem_cids>
{229366}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 16 16  0  0  0  0            999 V2000
    8.7524   -0.7504    0.0000 Cl  0  0
    2.6030   -2.9977    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.2526   -1.3618    0.0000 C   0  0
    6.2524   -0.2436    0.0000 N   0  0
    5.4979    1.0528    0.0000 C   0  0
    4.0317    0.7359    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  4  1  0
  3  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15  9  1  0
 15 16  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15907

> <plate>
PLATE 008

> <well>
F3

> <supplier_cmpd_name>
Dexmedetomidine HCl

> <ctcr_id>
1298

> <supplier_cmpd_id>
T6466

> <smiles>
Cl.CC(c1c[nH]cn1)c2cccc(C)c2C

> <pd_targets>
{ADRA2B,ADRA2A,ADRA1A,ADRA1D,ADRA2C,NISCH,SLC6A2,MAOB,ADRA1B,MAOA}

> <pathway_gtopdb>
{"Membrane receptor","Other cytosolic protein",Transporter,Enzyme,"Family A G protein-coupled receptor","Electrochemical transporter",Oxidoreductase,"Small molecule receptor (family A GPCR)","SLC supe
rfamily of solute carriers","Monoamine receptor","SLC06 neurotransmitter transporter family","Adrenergic receptor"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"G protein-coupled receptors","SLC superfamily of solute carriers","Catecholamine turnover",Adrenoceptors,"SLC6 neurotransmitter transporter family","Monoamine transpor
ter subfamily"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Signaling by GPCR","Disorders of transmembrane transporters","Biological oxidations","GPCR ligand binding","SLC transporter disorders","Phase I - Functionali
zation of compounds","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A2 causes orthostatic intolerance (OI)","Amine Oxidase reactions","Amine ligand-binding receptors","Biogenic amines are oxida
tively deaminated to aldehydes by MAOA and MAOB",Adrenoceptors}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Medetomidine hydrochloride","Medetomidine HCl",86347-15-1,86347151,"86347 15 1",Domitor,MPV785,"Medetomidine (hydrochloride)","MPV 785","4-(1-(2,3-Dimethylphenyl)ethyl)-1H-imidazole hydrochloride","
4(1(2,3Dimethylphenyl)ethyl)1Himidazole hydrochloride","4 (1 (2,3 Dimethylphenyl)ethyl) 1H imidazole hydrochloride",106807-72-1,106807721,"106807 72 1",CHEBI:48556,MPV-785,4-(1-(2,4(1(2,"4 (1 (2",3-di
methylphenyl,3dimethylphenyl,"3 dimethylphenyl",S3060,S2090,"Dexmedetomidine HCl"}

> <pdid>
PD013841

> <targets>
{"Adrenergic Receptor"}

> <classes>
{"","Neuronal Signaling"}

> <pubchem_cids>
{57515975,68601}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    2.5617   -2.9798    0.0000 O   0  0
    1.2626   -2.2300    0.0000 C   0  0
   -0.0361   -2.9805    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -7.7988    1.4819    0.0000 Cl  0  0
   -5.2007    1.4909    0.0000 C   0  0
   -5.2060    2.9909    0.0000 F   0  0
    2.5629    0.0216    0.0000 C   0  0
    3.8632   -0.7278    0.0000 C   0  0
    5.1516    0.0428    0.0000 C   0  0
    6.4623   -0.6867    0.0000 C   0  0
    6.4859   -2.1865    0.0000 C   0  0
    5.1988   -2.9568    0.0000 C   0  0
    5.2193   -4.4575    0.0000 N   0  0
    3.9304   -5.2265    0.0000 C   0  0
    3.8107   -6.7089    0.0000 S   0  0
    2.3474   -7.0387    0.0000 C   0  0
    1.5816   -5.7490    0.0000 C   0  0
    2.5715   -4.6220    0.0000 N   0  0
    3.8881   -2.2274    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 11  1  0
 17 18  1  0
  4 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 26  2  0
 24 31  2  0
 31 20  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15908

> <plate>
PLATE 008

> <well>
F4

> <supplier_cmpd_name>
MK-5108

> <ctcr_id>
1373

> <supplier_cmpd_id>
T6068

> <smiles>
OC(=O)C1(CCC(CC1)Oc2cccc(Cl)c2F)Cc3cccc(Nc4sccn4)n3

> <pd_targets>
{AURKA,AURKC,AURKB,INCENP}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","Other protein kinase AUR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","Other protein kinases","Aurora kinase (Aur) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","RNA Polymerase II Transcription",Mitotic,"Generic Transcription Pathway","M Phase","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase
","Regulation of TP53 Activity","Mitotic Anaphase","Regulation of TP53 Activity through Phosphorylation","Separation of Sister Chromatids"}

> <broad_targets>
{AURKA,AURKB,AURKC}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{"K5108 (VX689",MK-5108,MK5108,1010085-13-8,1010085138,VX-689,VX689,"MK 5108","MK-5108 (VX-689)","MK5108 (VX689)",UNII-H8J407531S,UNIIH8J407531S,CHEMBL3600873,H8J407531S,"VX 689",MK-5198,MK5198,C22H21
ClFN3O3S,cc-619,cc619,MLS006011047,GTPL8061,SCHEMBL1501371,SCHEMBL1501374,CHEMBL3182444,EX-A093,EXA093,CHEBI:125340,T6068,S2770}

> <pdid>
PD003211

> <targets>
{"Aurora Kinase"}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{24748204}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 34 33  0  0  0  0            999 V2000
   11.3933    0.3689    0.0000 H   0  3
    8.8933    0.3689    0.0000 O   0  0
    6.3933    0.3689    0.0000 Cl  0  5
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    1.2925   -3.7494    0.0000 C   0  0
   -0.0041   -2.9953    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1984    1.4977    0.0000 C   0  0
   -6.4971    0.7454    0.0000 O   0  0
   -7.7984    1.4932    0.0000 C   0  0
   -7.8010    2.9932    0.0000 O   0  0
   -9.0971    0.7409    0.0000 N   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -11.6975    0.7386    0.0000 C   0  0
  -12.9965    1.4886    0.0000 C   0  0
  -12.9966    2.9886    0.0000 C   0  0
  -11.6976    3.7386    0.0000 C   0  0
  -10.3985    2.9887    0.0000 C   0  0
  -14.2948    3.7417    0.0000 C   0  0
  -15.5951    2.9939    0.0000 O   0  0
  -14.2927    5.2425    0.0000 N   0  0
  -15.5902    5.9951    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 24 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 15 31  1  0
 31 32  2  0
 32 33  1  0
 33 13  1  0
 33 34  2  0
 34 10  1  0
M  CHG  2   1   1   3  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15909

> <plate>
PLATE 008

> <well>
F5

> <supplier_cmpd_name>
Givinostat hydrochloride monohydrate

> <ctcr_id>
6543

> <supplier_cmpd_id>
T6279

> <smiles>
[H+].O.[Cl-].CCN(CC)Cc1ccc2cc(COC(=O)Nc3ccc(cc3)C(=O)NO)ccc2c1

> <pd_targets>
{HDAC9,HDAC6,HDAC2,HDAC5,HDAC4,HDAC3,HDAC7,HDAC8,HDAC1,HD1B}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class IIa","HDAC class IIb","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Disorders of Developmental
 Biology",Mitotic,"Signaling by NOTCH1 in Cancer","Generic Transcription Pathway","Disorders of Nervous System Development","M Phase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Transcript
ional regulation by RUNX2","Transcriptional Regulation by TP53","Pervasive developmental disorders","Mitotic Metaphase and Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","RUNX2 re
gulates bone development","Regulation of TP53 Activity","Loss of function of MECP2 in Rett syndrome","Mitotic Anaphase","RUNX2 regulates osteoblast differentiation","Regulation of TP53 Activity throug
h Acetylation","RUNX2 regulates chondrocyte maturation","Loss of MECP2 binding ability to the NCoR/SMRT complex","Separation of Sister Chromatids","Loss of MECP2 binding ability to 5mC-DNA"}

> <broad_targets>
{HDAC1,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{732302-99-7,732302997,"Givinostat Hydrochloride Hydrate","ITF2357 (Givinostat)","Givinostat hydrochloride monohydrate","Givinostat HCl hydrate","Givinostat (ITF2357)","732302-99-7 (HCl hydrate)","732
302997 (HCl hydrate)","Givinostat (hydrochloride monohydrate)",C15H14,T6279,S2170}

> <pdid>
PD046520

> <targets>
{HDAC}

> <classes>
{Cytoskeletal Signaling,Cell Cycle/DNA Damage,Epigenetics}

> <pubchem_cids>
{9804991,52914048}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    2.6531  -10.0886    0.0000 C   0  0
    1.1844   -9.7837    0.0000 O   0  0
    0.7130   -8.3588    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.1996    1.4928    0.0000 O   0  0
    1.2449   -5.8157    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16  8  1  0
 16 11  1  0
 14 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
  6 21  1  0
 21 22  2  0
 22  3  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15910

> <plate>
PLATE 008

> <well>
F6

> <supplier_cmpd_name>
PCI-34051

> <ctcr_id>
909

> <supplier_cmpd_id>
T6325

> <smiles>
COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1

> <pd_targets>
{HDAC7,HDAC10,HDAC1,HDAC6,HDAC8,HDAC2,HDAC3,NCOR2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class IIa","HDAC class IIb","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle","Diseases of signal transduction by growth factor receptors and second messengers","Disorders of Developmental Biology","RNA Polymerase II Trans
cription",Mitotic,"Signaling by NOTCH1 in Cancer","Disorders of Nervous System Development","Generic Transcription Pathway","M Phase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Pervasive 
developmental disorders","Transcriptional regulation by RUNX2","Mitotic Metaphase and Anaphase","Transcriptional Regulation by TP53","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Loss of 
function of MECP2 in Rett syndrome","RUNX2 regulates bone development","Mitotic Anaphase","Regulation of TP53 Activity","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates osteoblast different
iation","Separation of Sister Chromatids","Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
{HDAC1,HDAC10,HDAC6,HDAC8}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{CI3405,PCI-34051,PCI34051,950762-95-5,950762955,"PCI 34051",N-hydroxy-1-(4-methoxybenzyl)-1H-indole-6-carboxamide,Nhydroxy1(4methoxybenzyl)1Hindole6carboxamide,UNII-PUI52VXV61,UNIIPUI52VXV61,N-hydrox
y-1-((4-methoxyphenyl)methyl)indole-6-carboxamide,Nhydroxy1((4methoxyphenyl)methyl)indole6carboxamide,PUI52VXV61,CHEMBL2170177,N-Hydroxy-1-((4-methoxyphenyl)methyl)-1H-indole-6,NHydroxy1((4methoxyphen
yl)methyl)1Hindole6,T6325,S2012}

> <pdid>
PD003631

> <targets>
{HDAC,Apoptosis}

> <classes>
{Epigenetics,Apoptosis,Cell Cycle/DNA Damage}

> <pubchem_cids>
{24753719}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 47 51  0  0  0  0            999 V2000
    7.7938   -3.0152    0.0000 C   0  0
    6.4915   -3.7597    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.0114   -1.7530    0.0000 N   0  0
   -6.4786   -1.4410    0.0000 C   0  0
   -4.4013   -3.1233    0.0000 C   0  0
   -5.1513   -4.4224    0.0000 O   0  0
   -2.9095   -2.9665    0.0000 N   0  0
   -1.9052   -4.0817    0.0000 C   0  0
   -0.4237   -3.8808    0.0000 C   0  0
    0.4933   -5.0678    0.0000 C   0  0
   -0.0761   -6.4555    0.0000 C   0  0
    0.8414   -7.6431    0.0000 N   0  0
    2.3283   -7.4449    0.0000 C   0  0
    3.2434   -8.6334    0.0000 C   0  0
    2.6718  -10.0201    0.0000 N   0  0
    1.1850  -10.2185    0.0000 C   0  0
    0.2698   -9.0300    0.0000 C   0  0
   -1.5627   -6.6562    0.0000 C   0  0
   -2.4797   -5.4692    0.0000 C   0  0
   -2.1324   -8.0446    0.0000 C   0  0
   -1.2161   -9.2322    0.0000 F   0  0
   -3.1235   -8.1781    0.0000 F   0  0
   -2.5125   -8.9696    0.0000 F   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   10.2915   -2.2136    0.0000 O   0  0
   10.2915   -3.7136    0.0000 C   0  0
    8.9923   -4.4632    0.0000 O   0  0
   11.5915   -4.4636    0.0000 C   0  0
   12.8915   -3.7136    0.0000 C   0  0
   14.1915   -4.4636    0.0000 C   0  0
   15.4908   -3.7140    0.0000 O   0  0
   14.1915   -5.9636    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
 24 31  1  0
 31 32  2  0
 32 21  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
 20 37  1  0
 37 15  2  0
 37 38  1  0
 38 12  1  0
 38 39  2  0
 39  9  1  0
 40 41  1  0
 41 42  2  0
 41 43  1  0
 43 44  2  3
 44 45  1  0
 45 46  2  0
 45 47  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15911

> <plate>
PLATE 008

> <well>
F7

> <supplier_cmpd_name>
BGT226

> <ctcr_id>
3387

> <supplier_cmpd_id>
T6072

> <smiles>
COc1ccc(cn1)c2ccc3ncc4N(C)C(=O)N(c5ccc(N6CCNCC6)c(c5)C(F)(F)F)c4c3c2.OC(=O)C=CC(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{VPBGT22,BGT226,"NVP-BGT226 (BGT226","NVPBGT226 (BGT226",HMS3656L21,HMS3672I05,BCP03599,AK175526,T6072,S2749,NVP-BGT226,"BGT226 (NVP-BGT226)"}

> <pdid>

> <targets>
{PI3K,mTOR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{66870970}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    4.2146   -6.5095    0.0000 C   0  0
    3.3372   -5.2929    0.0000 C   0  0
    3.8056   -3.8679    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.3786   -3.8595    0.0000 N   0  0
    1.8372   -5.2877    0.0000 N   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
   -2.5764   -7.5048    0.0000 N   0  3
   -1.2737   -8.2485    0.0000 O   0  0
   -3.8715   -8.2616    0.0000 O   0  5
    0.0000    3.0000    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 10 24  1  0
M  CHG  2  21   1  23  -1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15912

> <plate>
PLATE 008

> <well>
F8

> <supplier_cmpd_name>
Autophinib

> <ctcr_id>
11509

> <supplier_cmpd_id>
T4219

> <smiles>
Cc1cc(n[nH]1)Nc1cc(nc(n1)Oc1ccc(cc1)[N+](=O)[O-])Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Autophinib,1644443-47-9,1644443479,6-chloro-N-(5-methyl-1H-pyrazol-3-yl)-2-(4-nitrophenoxy)pyrimidin-4-amine,6chloroN(5methyl1Hpyrazol3yl)2(4nitrophenoxy)pyrimidin4amine,6-Chloro-N-(5-methyl-1H-pyraz
ol-3-yl)-2-(4-nitrophenoxy)-pyrimidinamine,6ChloroN(5methyl1Hpyrazol3yl)2(4nitrophenoxy)pyrimidinamine,BCP25844,EX-A1537,EXA1537,s8596,ZB1499,CCG-267994,CCG267994,CS-7665,CS7665,BS-16113,BS16113,HY-10
1920,HY101920,AK007,T4219}

> <pdid>
PD063771

> <targets>
{Autophagy,PI3K,"rapamycin-induced autophagy","starvation-induced autophagy",VPS34}

> <classes>
{Autophagy,PI3K/Akt/mTOR signaling,PI3K/Akt/mTOR}

> <pubchem_cids>
{129626605}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 12 12  0  0  0  0            999 V2000
    1.2636   -2.2496    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.5801    0.0303    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -1.2636   -2.2496    0.0000 C   0  0
   -2.5801    0.0303    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000   -3.0000    0.0000 O   0  0  0  0  0  1
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11  2  1  0
 11 12  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15913

> <plate>
PLATE 008

> <well>
F9

> <supplier_cmpd_name>
Tempol

> <ctcr_id>
4187

> <supplier_cmpd_id>
T6699

> <smiles>
CC1(C)CC(O)CC(C)(C)N1[O]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"4-hydroxy-2,2,6,6-tetramethyl-piperidinooxy","4hydroxy2,2,6,6tetramethylpiperidinooxy","4-hydroxy-2,2,6,6-tetramethyl piperidinyloxy","4hydroxy2,2,6,6tetramethyl piperidinyloxy","4-Hydroxy-2,2,6,6-t
etramethylpiperidine-1-oxyl","4Hydroxy2,2,6,6tetramethylpiperidine1oxyl","4-Hydroxy-2,2,6,6-tetramethylpiperidine 1-oxyl","4Hydroxy2,2,6,6tetramethylpiperidine 1oxyl","4-Hydroxy-TEMPO, free radical","
4HydroxyTEMPO, free radical",UNII-U78ZX2F65X,UNIIU78ZX2F65X,U78ZX2F65X,T6699,S2910,Tempol}

> <pdid>
PD010519

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{137994}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 19 19  0  0  1  0            999 V2000
    2.5909   -6.0056    0.0000 C   0  0
    3.8912   -5.2578    0.0000 S   0  0
    5.1887   -6.0105    0.0000 O   0  0
    3.8883   -6.7578    0.0000 O   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0  1  0  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.1996    1.4928    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8976   -0.7553    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 12 17  1  0
 17 18  2  0
 18  9  1  0
  8 19  1  1
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15914

> <plate>
PLATE 008

> <well>
F10

> <supplier_cmpd_name>
Repertaxin

> <ctcr_id>
11510

> <supplier_cmpd_id>
T4163

> <smiles>
CS(=O)(=O)NC(=O)[C@@H](c1ccc(CC(C)C)cc1)C

> <pd_targets>
{CXCR2,CXCR1,FFP}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Family A G protein-coupled receptor",Transferase,"Peptide receptor (family A GPCR)","Chemokine receptor","CXC chemokine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Chemokine receptors"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Peptide ligand-binding receptors","Chemokine receptors bind chemokines"}

> <broad_targets>
{CXCR1,CXCR2}

> <broad_moa>
{"CC chemokine receptor antagonist"}

> <synonyms>
{reparixin,repertaxin,266359-83-5,266359835,"DF 1681Y",UNII-U604E1NB3K,UNIIU604E1NB3K,(R)-2-(4-isobutylphenyl)-N-(methylsulfonyl)propanamide,(R)2(4isobutylphenyl)N(methylsulfonyl)propanamide,CHEMBL191
413,U604E1NB3K,"266359-83-5 (free base)","266359835 (free base)",(2R)-2-(4-(2-methylpropyl)phenyl)-N-methylsulfonylpropanamide,(2R)2(4(2methylpropyl)phenyl)Nmethylsulfonylpropanamide,"Reparixin (Reper
",T4163,Repertaxin}

> <pdid>
PD012612

> <targets>
{CXCR1,CXCR2,CXCR}

> <classes>
{Autophagy,GPCR/G Protein,Immunology/Inflammation}

> <pubchem_cids>
{9838712}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 28 29  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 O   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 N   0  0
  -11.7517    0.8631    0.0000 C   0  0
  -12.7554    1.9778    0.0000 C   0  0
  -12.0054    3.2768    0.0000 N   0  0
  -10.5381    2.9650    0.0000 C   0  0
   -7.8029    2.9894    0.0000 C   0  0
   -9.1023    3.7390    0.0000 C   0  0
   -9.1028    5.2390    0.0000 C   0  0
   -7.8041    5.9895    0.0000 C   0  0
   -6.5048    5.2400    0.0000 C   0  0
   -6.5042    3.7400    0.0000 C   0  0
   -7.8016    7.4904    0.0000 O   0  0
   -6.5017    8.2390    0.0000 C   0  0
    5.0973    2.6178    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 15  1  0
 13 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15915

> <plate>
PLATE 008

> <well>
F11

> <supplier_cmpd_name>
SKF-96365 hydrochloride

> <ctcr_id>
11511

> <supplier_cmpd_id>
T2170

> <smiles>
COc1ccc(cc1)CCCOC(Cn1ccnc1)c1ccc(cc1)OC.Cl

> <pd_targets>
{ALDH1A1,TRPC6,CYP3A4,CYP2C9,FTL,MAPT,TRPC7,PKD2,TRPC5,TRPC1,TRPV2,TRPC4,TRPC3,KMT2A,MEN1,RORC,MAPK1,TP53,CYP1A2,TSHR,HSD17B10,LEF}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Unclassified protein","Other cytosolic protein",Oxidoreductase,"Voltage-gated ion channel","Cytochrome P450","Transient receptor potential channel","Cytochrome P450 family 3","C
ytochrome P450 family 2","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Cytochrome P450 3A4","Cytochrome P450 2C9","Epigenetic regulator","Transcription factor","Membrane receptor",Reader,"N
uclear receptor",Kinase,"Family A G protein-coupled receptor",Protease,Bromodomain,"Nuclear hormone receptor subfamily 1","Protein Kinase","Cytochrome P450 family 1","Peptide receptor (family A GPCR)"
,"Metallo protease","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Cytochrome P450 family 1A","Glycohormone receptor","Metallo protease MAE clan","Nuclear hormone receptor
 subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cytochrome P450 1A1","Metallo protease M34 family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Voltage-gated ion channels","Cytochrome P450","Transient Receptor Potential channels","CYP3 family","CYP2 family: drug metabolising subset",Receptors,"Nuclear hormone receptor
s","Kinases (EC 2.7.x.x)","G protein-coupled receptors","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP1 family","Glycoprotein hormone receptors","Mitogen-acti
vated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Developmental Biology","Vesicle-mediated transport","Neuronal System","Organelle biogenesis and maintenance","Transport of small molecules","Biological oxidations","Nervous system develop
ment","Metabolism of lipids","Membrane Trafficking","Transmission across Chemical Synapses","Cilium Assembly","Ion channel transport","Phase I - Functionalization of compounds","Axon guidance","Biosyn
thesis of specialized proresolving mediators (SPMs)","trans-Golgi Network Vesicle Budding","Neurotransmitter receptors and postsynaptic signal transmission","Cargo trafficking to the periciliary membr
ane","Stimuli-sensing channels","Ethanol oxidation","Netrin-1 signaling","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Golgi Associated Vesicle Biogenesis","Activa
tion of NMDA receptors and postsynaptic events","VxPx cargo-targeting to cilium","TRP channels","Role of second messengers in netrin-1 signaling","Biosynthesis of maresins",Xenobiotics,"Post NMDA rece
ptor activation events","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Activation of AMPK downstream of NMDARs","Gene expression (Transcription)","Immune System","Cell Cycle",Disease,"RNA Pol
ymerase II Transcription","Innate Immune System","Cell Cycle Checkpoints","Infectious disease","Metabolism of amino acids and derivatives","Generic Transcription Pathway","Toll-like Receptor Cascades"
,"G1/S DNA Damage Checkpoints","Leishmania infection","Branched-chain amino acid catabolism","Uptake and actions of bacterial toxins","Transcriptional regulation by RUNX3","Toll Like Receptor 5 (TLR5)
 Cascade","p53-Dependent G1/S DNA damage checkpoint","Leishmania parasite growth and survival","Uptake and function of anthrax toxins","RUNX3 Regulates Immune Response and Cell Migration","MyD88 casca
de initiated on plasma membrane","p53-Dependent G1 DNA Damage Response","Anti-inflammatory response favouring Leishmania parasite infection","MAP kinase activation","Stabilization of p53","Aromatic am
ines can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated anti-inflammatory cytokines production","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiqu
itin ligase COP1","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CYP3A4,PKD2,TRPC1,TRPC3,TRPC4,TRPC5,TRPV2}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{"KF96365 HYDROCHLORID",130495-35-1,130495351,"SKF-96365 hydrochloride","SKF96365 hydrochloride",SKF-96365,SKF96365,"SKF 96365 HYDROCHLORIDE","SK&F 96365","SKF-96365 (hydrochloride)","SKF96365 (hydroc
hloride)","SKF-96365 HCl","SKF96365 HCl",MFCD00236407,"130495-35-1 (HCl)","130495351 (HCl)",SK&F-96365,SK&F96365,SR-01000597888,SR01000597888,SKF96365.HCl,S,T2170}

> <pdid>
PD047051

> <targets>
{TRP,Apoptosis,Autophagy,CRAC Channel,Potassium Channel,TRP Channel}

> <classes>
{Membrane transporter/Ion channel,Apoptosis,Autophagy,Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{104955}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 42 43  0  0  0  0            999 V2000
   15.5868   -7.4980    0.0000 C   0  0
   14.2888   -8.2498    0.0000 C   0  0
   14.2914   -9.7498    0.0000 C   0  0
   12.9875   -7.5020    0.0000 C   0  0
   11.6888   -8.2543    0.0000 N   0  0
   10.3875   -7.5065    0.0000 C   0  0
    9.0888   -8.2588    0.0000 C   0  0
    9.0905   -9.2588    0.0000 O   0  0
    7.7875   -7.5110    0.0000 N   0  0
    6.4885   -8.2610    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1943   -3.0089    0.0000 C   0  0
    6.4911   -3.7628    0.0000 C   0  0
    7.7925   -3.0169    0.0000 C   0  0
    7.7971   -1.5169    0.0000 C   0  0
    9.0985   -0.7709    0.0000 Cl  0  0
    6.5004   -0.7628    0.0000 C   0  0
    5.1991   -1.5088    0.0000 C   0  0
    3.9024   -0.7547    0.0000 Cl  0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4885   -5.2610    0.0000 C   0  0
    7.7876   -6.0110    0.0000 C   0  0
   11.6883   -9.7551    0.0000 C   0  0
   10.3888  -10.5059    0.0000 C   0  0
   10.3883  -12.0059    0.0000 C   0  0
    9.5228  -10.0059    0.0000 C   0  0
   20.5875   -5.2534    0.0000 Cl  0  0
   18.0875   -5.2534    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
 21 22  1  0
 14 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 28  1  0
 33 34  2  0
 34 25  1  0
 12 35  1  0
 35 36  1  0
 36  9  1  0
  5 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15916

> <plate>
PLATE 008

> <well>
G2

> <supplier_cmpd_name>
LYN-1604

> <ctcr_id>
11512

> <supplier_cmpd_id>
T4123

> <smiles>
CC(C)CN(CC(=O)N1CCN(CC(c2ccc(Cl)cc2Cl)OCc2ccc3ccccc3c2)CC1)CC(C)C.Cl.Cl

> <pd_targets>
{ULK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","Other protein kinase ULK family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","Other protein kinases","Unc-51-like kinase (ULK) family"}

> <pathway_reactome>
{Autophagy,Macroautophagy,"Selective autophagy",Mitophagy,"Receptor Mediated Mitophagy"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{YN160,"LYN-1604 (dihydrochloride)","LYN1604 (dihydrochloride)","LYN-1604 2HCl","LYN1604 2HCl","2088939-99-3(free base)","2088939993(free base)",s8597,CCG-270336,CCG270336,HY-101923B,HY101923B,CS-0120
326,CS0120326,2310109-38-5,2310109385,T4123,LYN-1604}

> <pdid>
PD078896

> <targets>
{ULK1,Apoptosis,Autophagy,ULK}

> <classes>
{Autophagy,Apoptosis}

> <pubchem_cids>
{131954512}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 31 35  0  0  0  0            999 V2000
    5.8570   -1.2946    0.0000 O   0  0
    5.1047    0.0031    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    5.8532    1.3040    0.0000 N   0  0
    7.3541    1.3071    0.0000 C   0  0
    8.1026    2.6079    0.0000 C   0  0
    9.6034    2.6111    0.0000 N   0  0
   10.3534    3.9101    0.0000 C   0  0
   11.8534    3.9102    0.0000 C   0  0
   12.6035    2.6112    0.0000 C   0  0
   14.1042    2.6113    0.0000 N   0  0
   14.9624    1.3966    0.0000 C   0  0
   14.4885   -0.0266    0.0000 O   0  0
   16.3897    1.8581    0.0000 N   0  0
   16.3915    3.3573    0.0000 C   0  0
   14.9655    3.8228    0.0000 C   0  0
   14.6557    5.2905    0.0000 C   0  0
   15.7718    6.2926    0.0000 C   0  0
   17.1977    5.8271    0.0000 C   0  0
   17.5076    4.3595    0.0000 C   0  0
   11.8536    1.3121    0.0000 C   0  0
   10.3536    1.3120    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11  5  1  0
  6 12  1  0
 12  3  1  0
  2 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 19 30  1  0
 30 31  1  0
 31 16  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15917

> <plate>
PLATE 008

> <well>
G3

> <supplier_cmpd_name>
FIPI

> <ctcr_id>
11513

> <supplier_cmpd_id>
T3580

> <smiles>
O=C(c1cc2c(ccc(F)c2)[nH]1)NCCN1CCC(n2c(=O)[nH]c3c2cccc3)CC1

> <pd_targets>
{PLD1,PLD2}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{Enzymes,"Glycerophospholipid turnover","Phosphatidylcholine-specific phospholipase D"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Phospholipid metabolism","Glycerophospholipid biosynthesis","Synthesis of PA"}

> <broad_targets>
{PLD1,PLD2}

> <broad_moa>
{"phospholipase inhibitor"}

> <synonyms>
{FIPI,939055-18-2,939055182,"FIPI free base","5-Fluoro-2-indolyl deschlorohalopemide","5Fluoro2indolyl deschlorohalopemide","compound 14 (PMID: 19136975)",CHEMBL398567,"939055-18-2 (free base)","93905
5182 (free base)","5-Fluoro-2-Indolyl des-Chlorohalopemide","5Fluoro2Indolyl desChlorohalopemide",C23H25ClFN5O2,GTPL8781,SCHEMBL10311363,DTXSID60587488,EX-A780,EXA780,S,T3580}

> <pdid>
PD012809

> <targets>
{PLD1,PLD2,Autophagy,Phospholipase}

> <classes>
{Metabolism,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{16739265}

$$$$
TargetMol_L3200_Autophagy Compound Library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1882    2.6401    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1882   -2.6402    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13  7  1  0
 13 14  2  0
 14  2  1  0
 14 15  1  0
M  END
> <name>
TargetMol_L3200_Autophagy Compound Library

> <id>
15918

> <plate>
PLATE 008

> <well>
G4

> <supplier_cmpd_name>
TCID

> <ctcr_id>
1501

> <supplier_cmpd_id>
T6697

> <smiles>
Clc1c(Cl)c(Cl)c2C(=O)CC(=O)c2c1Cl

> <pd_targets>
{UCHL3,UCHL1}

> <pathway_gtopdb>
{Enzyme,Protease,"Cysteine protease","Cysteine protease CA clan","Cysteine protease C12 family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","CA: Cysteine (C) Peptidases","C12: Ubiquitin C-terminal hydrolase"}

> <pathway_reactome>
{"Metabolism of proteins","Post-translational protein modification",Deubiquitination,"UCH proteinases"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{TCID,30675-13-9,30675139,"4,5,6,7-Tetrachloro-1H-indene-1,3(2H)-dione","4,5,6,7Tetrachloro1Hindene1,3(2H)dione","4,5,6,7-Tetrachloroindan-1,3-dione","4,5,6,7Tetrachloroindan1,3dione","UCH-L3 Inhibito
r","UCHL3 Inhibitor","4,5,6,7-tetrachloroindene-1,3-dione","4,5,6,7tetrachloroindene1,3dione","4,5,6,7-Tetrachloroindane-1,3-dione","4,5,6,7Tetrachloroindane1,3dione","compound 6 (PMID: 17948018)",1H-
Indene-1,1HIndene1,3(2H)-dione,3(2H)dione,T6697,S7140}

> <pdid>
PD010601

> <targets>
{DUB,Deubiquitinase}

> <classes>
{Ubiquitin,Cell Cycle/DNA Damage}

> <pubchem_cids>
{2729042}

$$$$
