TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25129

> <plate>
PLATE 001

> <well>
A2

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 41 46  0  0  0  0            999 V2000
    2.5795   -7.5040    0.0000 O   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
    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 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
   -2.6003   -1.4978    0.0000 C   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
   -6.4971   -0.7365    0.0000 C   0  0
   -7.7988   -1.4820    0.0000 C   0  0
   -7.8039   -2.9820    0.0000 C   0  0
   -6.5075   -3.7364    0.0000 C   0  0
   -5.2059   -2.9909    0.0000 C   0  0
   -5.2007   -1.4909    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000    3.0000    0.0000 N   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
   -1.2982    3.7531    0.0000 C   0  0
   -2.5986    3.0053    0.0000 O   0  0
   -1.2961    5.2539    0.0000 N   0  0
   -2.5943    6.0070    0.0000 C   0  0
   -2.5922    7.5078    0.0000 C   0  0
   -3.8886    8.2624    0.0000 C   0  0
   -3.8834    9.7624    0.0000 C   0  0
   -2.5818   10.5079    0.0000 C   0  0
   -1.2854    9.7534    0.0000 C   0  0
   -1.2905    8.2534    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    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  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 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 13  1  0
 22 17  1  0
 11 23  1  0
 23  7  1  0
 23 24  2  0
  9 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28  8  1  0
 28 29  2  0
 25 30  1  0
 30 31  2  0
 30 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
  5 40  1  0
 40 41  2  0
 41  2  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25130

> <plate>
PLATE 001

> <well>
A3

> <supplier_cmpd_name>
ICG001

> <ctcr_id>
7846

> <supplier_cmpd_id>
T2237

> <smiles>
Oc1ccc(CC2N3C(CN(Cc4cccc5ccccc45)C2=O)N(CCC3=O)C(=O)NCc6ccccc6)cc1

> <pd_targets>
{CREBBP}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Histone acetyltransferase","p300/CBP family"}

> <pathway_chembl>
{"Other protein targets","Bromodomain-containing proteins","Non-enzymatic BRD containing proteins"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","TP53 Regulates Transcription of Cell Death Genes","TP53 Regul
ates Transcription of Genes Involved in Cytochrome C Release"}

> <broad_targets>
{CTNNB1}

> <broad_moa>
{"beta-catenin inhibitor"}

> <synonyms>
{CGC003893730,NCGC00389373-02,NCGC0038937302,"PRI 724",CHEMBL2137823,SCHEMBL13744871,BDBM275766,HMS3740K21,BCP02465,AKOS026750389,"US10071086, Compound ICG-001","US10071086, Compound ICG001",FT-067026
7,FT0670267,FT-0774377,FT0774377,"PRI724; PRI 724; ICG001 isomer; ICG-001 isomer; ICG 001 isomer","PRI724; PRI 724; ICG001 isomer; ICG001 isomer; ICG 001 isomer",T2237,S2662,ICG001,ICG-001}

> <pdid>
PD003345

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{20741453}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 26 28  0  0  0  0            999 V2000
    5.1965   -1.5089    0.0000 O   0  0
    5.1943   -3.0089    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 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   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 N   0  0
    2.5930   -4.5047    0.0000 C   0  0
    6.4932   -3.7607    0.0000 C   0  0
    7.7947   -3.0149    0.0000 C   0  0
    9.0914   -3.7690    0.0000 C   0  0
    9.0867   -5.2689    0.0000 C   0  0
    7.7853   -6.0149    0.0000 C   0  0
    6.4886   -5.2608    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  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  3 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
  3 20  1  0
  2 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_L8000_Stem cell Differentiation Compound Library

> <id>
25131

> <plate>
PLATE 001

> <well>
A4

> <supplier_cmpd_name>
JAK2 Inhibitor V

> <ctcr_id>
11515

> <supplier_cmpd_id>
T3042

> <smiles>
O=C(C(CCc1ccccn1)(CCc1ccccn1)C)c1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{195371-52-9,195371529,"NSC 42834","JAK2 Inhibitor V, Z3","JAK2 Inhibitor V Z3",NSC42834,NSC-42834,2-methyl-1-phenyl-4-(pyridin-2-yl)-2-(2-(pyridin-2-yl)ethyl)butan-1-one,2methyl1phenyl4(pyridin2yl)2(
2(pyridin2yl)ethyl)butan1one,"JAK2 Inhibitor V;Z3",MLS002608474,2-methyl-1-phenyl-4-pyridin-2-yl-2-(2-pyri,2methyl1phenyl4pyridin2yl2(2pyri,T3042,"JAK2 Inhibitor V"}

> <pdid>
PD017736

> <targets>
{JAK2,"JAK2 (V617F)"}

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

> <pubchem_cids>
{238484}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 31 32  0  0  0  0            999 V2000
   -6.5359  -15.7399    0.0000 C   0  0
   -6.5355  -14.2399    0.0000 C   0  0
   -7.8347  -13.4901    0.0000 C   0  0
   -5.2361  -13.4889    0.0000 C   0  0
   -5.2358  -11.9881    0.0000 C   0  0
   -3.9364  -11.2372    0.0000 C   0  0
   -3.9361   -9.7363    0.0000 C   0  0
   -5.2352   -8.9865    0.0000 C   0  0
   -2.6366   -8.9854    0.0000 C   0  0
   -2.6363   -7.4845    0.0000 C   0  0
   -1.3369   -6.7336    0.0000 C   0  0
   -1.3366   -5.2327    0.0000 C   0  0
   -2.6357   -4.4829    0.0000 C   0  0
   -0.0372   -4.4818    0.0000 C   0  0
   -0.0368   -2.9810    0.0000 C   0  0
    1.2626   -2.2300    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.5793    0.0316    0.0000 C   0  0
    1.2990    0.7500    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
   -3.8971    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 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    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
  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  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
 17 19  1  0
 19 20  1  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 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  2  0
 30 21  1  0
 30 31  1  0
 31 17  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25132

> <plate>
PLATE 001

> <well>
A5

> <supplier_cmpd_name>
Vitamin E

> <ctcr_id>
1544

> <supplier_cmpd_id>
T1648

> <smiles>
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1

> <pd_targets>
{MAPT,TTPA,KMT2A,MEN1,GSTP1,LMNA,CAT}

> <pathway_gtopdb>
{"Other cytosolic protein","Unclassified protein","Epigenetic regulator",Enzyme,"Other nuclear protein",Reader,Transferase,Oxidoreductase,Bromodomain}

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

> <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,"Cell Cycle","Gene expression (Transcription)","Metabolism of vitamins and cofactors","Biological oxidations",Mitotic,"RNA Polym
erase II Transcription","Metabolism of fat-soluble vitamins","Phase II - Conjugation of compounds","M Phase","Generic Transcription Pathway","Vitamin E","Glutathione conjugation","Mitotic Metaphase an
d Anaphase","FOXO-mediated transcription","Mitotic Anaphase","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear 
Envelope (NE) Reformation"}

> <broad_targets>
{ALOX5,DGKA,NR1I2,PPP2CA,PPP2CB,PRKCA,PRKCB,SEC14L2,SEC14L3,SEC14L4}

> <broad_moa>
{"LDL oxidation inhibitor","PKC inhibitor"}

> <synonyms>
{LPHATOCHOPHERO,DL-ALPHA-TOCOPHEROL,DLALPHATOCOPHEROL,10191-41-0,10191410,"VITAMIN E",alpha-tochopherol,alphatochopherol,all-rac-alpha-Tocopherol,allracalphaTocopherol,(+-)-alpha-Tocopherol,(+)alphaTo
copherol,UNII-7QWA1RIO01,UNII7QWA1RIO01,"2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-ol","2,5,7,8tetramethyl2(4,8,12trimethyltridecyl)3,4dihydrochromen6ol",7QWA1RIO01,CHEMBL4
9563,.alpha.-Tocophe,.alpha.Tocophe,T1648,TMA2394,310039,"Vitamin E",DL-±-Tocopherol,alpha-TOCHOPHEROL}

> <pdid>
PD001954

> <targets>
{}

> <classes>
{"vitamin E"}

> <pubchem_cids>
{2116}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 26 28  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 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
    7.7928   -6.0048    0.0000 C   0  0
    7.7953   -7.5048    0.0000 O   0  0
    9.0907   -5.2530    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 C   0  0
   -1.2817   -2.2191    0.0000 C   0  0
   -3.9144   -2.2193    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
   -1.2817    2.2191    0.0000 C   0  0
   -3.9144    2.2193    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  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 10 12  2  0
  2 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  1  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24 16  1  0
 24 25  1  0
 24 26  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25133

> <plate>
PLATE 001

> <well>
A6

> <supplier_cmpd_name>
TTNPB

> <ctcr_id>
2221

> <supplier_cmpd_id>
T1288

> <smiles>
CC(=Cc1ccc(cc1)C(O)=O)c2ccc3c(c2)C(C)(C)CCC3(C)C

> <pd_targets>
{CYP26A1,RARA,RARB,RARG,NFO,CYP3A4,RORC,NPC1,THPO,TP53,CYP1A2,HSD17B10,KDM4E,NFKB1,NPSR1,CYP2D6,LMNA,ALDH1A1,LEF,BLM,ALD,USP2,POLB,RXRA,RAB9A,PMP22,RECQL,CHRM1,CYP2C19,GMNN,MTOR}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Transporter,"Unclassified protein","Epigenetic regulator","Other cytosolic protein","Membrane receptor","Other nuclear protein","Cytochrome P450","Nuclear receptor",Prot
ease,Hydrolase,Oxidoreductase,Eraser,"Family A G protein-coupled receptor",Kinase,"Cytochrome P450 family 26","Nuclear hormone receptor subfamily 1","Cysteine protease","Cytochrome P450 family 3","Cyt
ochrome P450 family 1","Lysine demethylase","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Metallo protease","Nuclear hormone receptor subfamily 2","Small molecule receptor (family A G
PCR)","Protein Kinase","Cytochrome P450 family 26A","Nuclear hormone receptor subfamily 1 group B","Cysteine protease CA clan","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F
","Cytochrome P450 family 1A","Jumonji domain-containing","Short peptide receptor (family A GPCR)","Cytochrome P450 family 2D","Metallo protease MAE clan","Nuclear hormone receptor subfamily 2 group B
","Monoamine receptor","Cytochrome P450 family 2C","Atypical protein kinase group","Cytochrome P450 26A1","Nuclear hormone receptor subfamily 1 group B member 1","Nuclear hormone receptor subfamily 1 
group B member 2","Nuclear hormone receptor subfamily 1 group B member 3","Cysteine protease C1A family","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 
1A1","Neuropeptide receptor","Cytochrome P450 2D6","Metallo protease M34 family","Cysteine protease C19 family","Nuclear hormone receptor subfamily 2 group B member 1","Acetylcholine receptor","Cytoch
rome P450 2C19","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Cytochrome P450","Nuclear hormone receptors","SLC superfamily of solute carriers","Chromatin modifying enzymes","G protein-coupled receptors","Peptidases and proteinas
es","Kinases (EC 2.7.x.x)",CYP24,"CYP26 and CYP27 families","1B. Retinoic acid receptors","CYP3 family","1F. Retinoic acid-related orphans","SLC65 NPC-type cholesterol transporters","CYP1 family","1.1
4.11.- Histone demethylases","Neuropeptide S receptor","CYP2 family: drug metabolising subset","CA: Cysteine (C) Peptidases","2B. Retinoid X receptors","Acetylcholine receptors (muscarinic)",Atypical,
"C19: Ubiquitin-specific protease","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,"Metabolism of proteins","Gene expression (Transcription)","Transport of small molecules",Hemostasis,"Cell Cycle","Immune System",Disease,"DNA Repair","Signal Transduction","Developmental 
Biology","Biological oxidations","Post-translational protein modification","RNA Polymerase II Transcription","Metabolism of lipids","Plasma lipoprotein assembly",remodeling,"and clearance","Platelet a
ctivation","signaling and aggregation","Cell Cycle Checkpoints","Metabolism of amino acids and derivatives","Cytokine Signaling in Immune system","Infectious disease",Mitotic,"DNA Double-Strand Break 
Repair","Base Excision Repair","Signaling by Rho GTPases","Nervous system development","Signaling by GPCR","Phase I - Functionalization of compounds",SUMOylation,"Generic Transcription Pathway","Biosy
nthesis of specialized proresolving mediators (SPMs)","Plasma lipoprotein clearance","Platelet Aggregation (Plug Formation)","G1/S DNA Damage Checkpoints","Branched-chain amino acid catabolism","Signa
ling by Interleukins","Leishmania infection","M Phase","Uptake and actions of bacterial toxins","Homology Directed Repair","Resolution of Abasic Sites (AP sites)","Metabolism of steroids","Rho GTPase 
cycle","EGR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR ligand binding","Mitotic G1 phase and G1/S transition","Cytochrome P450 - arranged by substrate type","SUMO E3 ligases SUM
Oylate target proteins","Nuclear Receptor transcription pathway","Biosynthesis of DHA-derived SPMs","Transcriptional regulation by RUNX3","LDL clearance","p53-Dependent G1/S DNA damage checkpoint","In
terleukin-1 family signaling","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Ethanol oxidation","Uptake and function of anthrax toxins","HDR through Homologous Recombinati
on (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by TP53","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Bile acid and bile salt metabolism","RHO
BTB GTPase Cycle","Class A/1 (Rhodopsin-like receptors)","G1/S Transition",Vitamins,"SUMOylation of intracellular receptors","Biosynthesis of maresins","RUNX3 Regulates Immune Response and Cell Migrat
ion","p53-Dependent G1 DNA Damage Response",Xenobiotics,"Interleukin-1 signaling","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","HDR through Homologous Recomb
ination (HRR)","Regulation of TP53 Activity","PCNA-Dependent Long Patch Base Excision Repair","Synthesis of bile acids and bile salts","RHOBTB3 ATPase cycle","Amine ligand-binding receptors","Activati
on of the pre-replicative complex","Biosynthesis of maresin-like SPMs","Stabilization of p53","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP3K8 (TPL2)-dependent MAPK1/3 activa
tion","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Expression and De
gradation","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Muscarinic acetylcholine receptors","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 Degradation"}

> <broad_targets>
{RARA,RARB,RARG}

> <broad_moa>
{"retinoid receptor agonist"}

> <synonyms>
{"Ro 13-7410;Arotinoid acid;AGN191183","Ro 137410;Arotinoid acid;AGN191183",CBiol_001852,CBiol001852,CBiol-001852,"CBiol 001852",KBioGR_000252,KBioGR000252,KBioGR-000252,"KBioGR 000252",KBioSS_000252,
KBioSS000252,KBioSS-000252,"KBioSS 000252",KBio2_000252,KBio2000252,KBio2-000252,"KBio2 000252",KBio2_002820,KBio2002820,KBio2-002820,"KBio2 002820",KBio2_005388,KBio2005388,KBio2-005388,"KBio2 005388
",KBio3_000503,KBio3000503,KBio3-000503,"KBio3 000503",KBio3_000504,KBio3000504,KBio3-000504,"KBio3 000504",Bio1_000138,Bio1000138,Bio1-000138,"Bio1 000138",Bio1_000627,Bio1000627,Bio1-000627,"Bio1 00
0627",Bio1_001116,Bio1001116,Bio1-001116,"Bio1 001116",Bio2_000252,Bio2000252,Bio2-000252,"Bio2 000252",Bio2_000732,Bio2000732,Bio2-000732,"Bio2 000732",HMS3266B12,HMS3370G02,HMS3652D12,BCP28362,AK1,T
1288,S4627,TTNPB,"TTNPB (Arotinoid Acid)"}

> <pdid>
PD002599

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{5602}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25134

> <plate>
PLATE 001

> <well>
A7

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25135

> <plate>
PLATE 001

> <well>
A8

> <supplier_cmpd_name>
Fluoxetine

> <ctcr_id>
5037

> <supplier_cmpd_id>
T0450

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 27 30  0  0  1  0            999 V2000
   -0.6010    4.3285    0.0000 C   0  0
    0.1500    3.0300    0.0000 C   0  0
    1.8400    3.0300    0.0000 C   0  0
    2.6900    1.5700    0.0000 C   0  0
    1.8400    0.1000    0.0000 C   0  0
    2.6900   -1.3600    0.0000 C   0  0
    4.1900   -1.3600    0.0000 C   0  0
    1.8400   -2.8200    0.0000 C   0  0
    2.5846   -4.1210    0.0000 O   0  0
    1.8301   -5.4184    0.0000 C   0  0
    0.3301   -5.4132    0.0000 O   0  0
    2.5756   -6.7210    0.0000 C   0  0
    1.8211   -8.0184    0.0000 C   0  0
    2.5666   -9.3209    0.0000 C   0  0
    1.8126  -10.6176    0.0000 O   0  0
    4.0666   -9.3261    0.0000 O   0  0
    0.1500   -2.8200    0.0000 O   0  0
   -0.6900   -1.3600    0.0000 C   0  0
   -1.9100   -1.3600    0.0000 O   0  0
   -2.7600   -0.5000    0.0000 C   0  0  1  0  0  0
   -1.3725    0.0700    0.0000 C   0  0
   -2.7600    0.7100    0.0000 C   0  0
   -1.9100    1.5700    0.0000 C   0  0
   -0.6900    1.5700    0.0000 C   0  0
    0.1500    0.1000    0.0000 C   0  0  1  0  0  0
   -1.1700    0.6900    0.0000 O   0  0
   -2.1000    0.1500    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
  6  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
 14 16  1  0
  8 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  6
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24  2  1  0
 24 25  1  0
 25  5  1  0
 25 18  1  0
 25 26  1  6
 26 27  1  0
 27 20  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25136

> <plate>
PLATE 001

> <well>
A9

> <supplier_cmpd_name>
Artesunate

> <ctcr_id>
7793

> <supplier_cmpd_id>
T0433

> <smiles>
CC1CCC2C(C)C(OC(=O)CCC(=O)O)OC3O[C@@]4(C)CCC1[C@@]23OO4

> <pd_targets>
{EXP-1,HTT}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by MECP2","Regulation of MECP2 expression and activity"}

> <broad_targets>
{}

> <broad_moa>
{"DNA synthesis inhibitor"}

> <synonyms>
{HMS3393I14,S2265,Artesunate}

> <pdid>
PD000729

> <targets>
{Ferroptosis,Parasite,STAT,Virus Protease}

> <classes>
{Anti-infection,Apoptosis,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{71296895}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 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 C   0  0
    1.2990    3.7500    0.0000 O   0  0
   -1.2991    3.7500    0.0000 O   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -3.8972    5.2500    0.0000 O   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
   -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 O   0  0
   -1.2990    0.7500    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
  5  7  1  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 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19  2  1  0
 19 20  1  0
 18 21  1  0
 21  4  2  0
 21 22  1  0
 22  8  1  0
 22 14  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25137

> <plate>
PLATE 001

> <well>
A10

> <supplier_cmpd_name>
Ellagic acid

> <ctcr_id>
1995

> <supplier_cmpd_id>
T0465

> <smiles>
Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c34

> <pd_targets>
{SYK,SQLE,CA7,CA14,LYN,POLH,ATG4B,HSPA1A,TEK,HSD17B10,APP,KDM4E,THRB,HPGD,IMPA1,BLM,GSTP1,CSNK2A1,CSNK2A2,CSNK2B,TDP1,MAPT,MAPK1,ALD,PRKACA,PRKACB,PRKACG,GSK3B,CA12,RECQL,EPHX2,FGR,CA2,CA3,CA4,CA6,CA9
,SRC,POLI,MAP3K8,ELAVL3,DUSP6,FFP,ATM,GSR,MAOA,GAPDH,APEX1,TPT1,CYP2C19,GAA,CYP2C9,GST,HBB,RORC,SMAD3,AMPC,POLB,AKR1B1,CA13,CA5B,DUSP3,HSPA8,CA1,AOX1,MIF,USP2,KMT2A,ALDOA,TP53,POL,LMNA,BACE1,MEN1,LEF,
TXNRD1,TXNRD2,TXNRD3,ALOX15,CARM1,CA5A,EIF4G1,MCL1,EPHB4,IGF1R,GALNT2,AKT1,NUAK1,BRAF,GPR35,SLC22A6,AURKB,CCND1,CDK4,EGFR,FLT4,CCNA1,CCNA2,CDK2,ERBB2,PLK1,AURKA,KDR,MET,PDGFRB,TSNAX,PTK2,INSR,PLK4,PRK
CA,PRKCB}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Membrane receptor","Epigenetic regulator","Transcription factor","Unclassified protein","Secreted protein","Other nuclear protein",Transporter,Kinase,Oxidoreductase,
Lyase,Protease,Transferase,Eraser,"Nuclear receptor",Hydrolase,Phosphatase,"Cytochrome P450",Isomerase,Reader,Writer,"Family A G protein-coupled receptor","Electrochemical transporter","Protein Kinase
","Cysteine protease","Lysine demethylase","Nuclear hormone receptor subfamily 1","Serine protease","Protein Phosphatase","Cytochrome P450 family 2",Bromodomain,"Aspartic protease","Metallo protease",
"Protein methyltransferase","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","TK protein kinase group","Cysteine protease CA clan","Jumonji domain-containing","Nuclear ho
rmone receptor subfamily 1 group A","Other protein kinase group","CMGC protein kinase group","AGC protein kinase group","Serine protease SC clan","STE protein kinase group","Serine/threonine/tyrosine 
protein phosphatase","Atypical protein kinase group","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group F","Aspartic protease AA clan","Metallo protease MAE clan","Protein arginin
e methyltransferase","CAMK protein kinase group","TKL protein kinase group","Carboxylic acid receptor","SLC22 family of organic cation and anion transporters","Tyrosine protein kinase Syk family","Cys
teine protease C1A family","Tyrosine protein kinase Src family","Tyrosine protein kinase Tie family","Nuclear hormone receptor subfamily 1 group A member 2","Other protein kinase CK2 family","CMGC pro
tein kinase MAPK family","AGC protein kinase PKA family","CMGC protein kinase GSK family","Serine protease S33 family","STE protein kinase STE11 family","Atypical protein kinase PIKK family","Cytochro
me P450 2C19","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group F member 3","Cysteine protease C19 family","Aspartic protease A1A subfamily","Metallo protease M34 family","Tyrosine pro
tein kinase Eph family","Tyrosine protein kinase InsR family","AGC protein kinase AKT family","CAMK protein kinase CAMK1 family","TKL protein kinase RAF family","Kynurenic acid receptor","Other protei
n kinase AUR family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase VEGFR family","CMGC protein kinase CDK family","Other protein kinase PLK family","Tyrosine protein kinase Met family
","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Fak family","AGC protein kinase PKC family","CMGC protein kinase ERK1","CAMK protein kinase NuaK subfamily","CMGC protein kinase CDC2 
subfamily","AGC protein kinase PKC alpha subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets",Transporters,"Catalytic receptors","Lanosterol biosynthesis pathway","Carbonic anhydrases","Peptidases and proteinases","Heat shock proteins","Chromatin modi
fying enzymes","Nuclear hormone receptors","Eicosanoid turnover","Inositol phosphate turnover","Kinases (EC 2.7.x.x)",Hydrolases,"1.-.-.- Oxidoreductases","Catecholamine turnover","Cytochrome P450","3
.2.1.- Glycosidases","L-Arginine turnover","B-cell lymphoma 2 (Bcl-2) protein family","G protein-coupled receptors","SLC superfamily of solute carriers","Receptor kinases","CA: Cysteine (C) Peptidases
","1.14.11.- Histone demethylases","1A. Thyroid hormone receptors","Prostaglandin synthases","Inositol monophosphatase","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 
7","Sterile 11","Sterile 20 kinases",Atypical,"CYP2 family: drug metabolising subset","1F. Retinoic acid-related orphans","2.1.1.43 Histone methyltransferases (HMTs)","AA: Aspartic (A) Peptidases",Lip
oxygenases,"2.1.1.- Protein arginine N-methyltransferases","AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","Orphan and other 7TM receptors","SLC22 family 
of organic cation and anion transporters","TK: Tyrosine kinase","C54: Aut2 peptidase","Mitogen-activated protein kinases (MAP kinases)","Glycogen synthase kinase (GSK) family","Other protein kinases",
"STE-unique family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","C19: Ubiquitin-specific protease","A1: Pepsin","Protein kinase A (PKA) family","Akt (Protein kinase B","PKB) family
","CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","Class A Orphans","Organic anion transporters (OATs)","Protein kinase C (PKC) family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosin
e kinases (RTKs)","ERK subfamily","GSK subfamily","Casein kinase 2 (CK2) family","Other PIKK family kinases","NuaK subfamily","RAF family","Aurora kinase (Aur) family","Polo-like kinase (PLK) family",
"Delta subfamily","Alpha subfamily","Syk family","Src family","Type XII RTKs: TIE family of angiopoietin receptors","Type XIII RTKs: Ephrin receptor family","Type II RTKs: Insulin receptor family","Ty
pe I RTKs: ErbB (epidermal growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type
 III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Fak family"}

> <pathway_reactome>
{Disease,Metabolism,"DNA Repair",Autophagy,"Cellular responses to external stimuli","Signal Transduction","Immune System","Metabolism of proteins","Neuronal System","Gene expression (Transcription)","
Transport of small molecules","Cell Cycle",Hemostasis,"Developmental Biology","Vesicle-mediated transport","Infectious disease","Metabolism of lipids","Reversible hydration of carbon dioxide","DNA Dou
ble-Strand Break Repair",Macroautophagy,"Cellular responses to stress","MAPK family signaling cascades","Metabolism of amino acids and derivatives","Innate Immune System","Post-translational protein m
odification","Inositol phosphate metabolism","Biological oxidations","Transmission across Chemical Synapses","RNA Polymerase II Transcription","O2/CO2 exchange in erythrocytes","Signaling by Receptor 
Tyrosine Kinases","DNA Damage Bypass","Cytokine Signaling in Immune system","Cell Cycle Checkpoints","Metabolism of carbohydrates","Base Excision Repair","Diseases of metabolism","Diseases of signal t
ransduction by growth factor receptors and second messengers","Metabolism of vitamins and cofactors","Platelet activation","signaling and aggregation",Mitotic,"Amyloid fiber formation",Translation,"Ne
rvous system development","Membrane Trafficking","Signaling by GPCR","SLC-mediated transmembrane transport","Intracellular signaling by second messengers","Gene Silencing by RNA","Leishmania infection
","Metabolism of steroids","Homology Directed Repair","Cellular response to heat stress","MAPK1/MAPK3 signaling","Branched-chain amino acid catabolism","Toll-like Receptor Cascades",SUMOylation,"Biosy
nthesis of specialized proresolving mediators (SPMs)","Synthesis of IP2",IP,"and Ins in the cytosol","Phase II - Conjugation of compounds","Nonhomologous End-Joining (NHEJ)","Neurotransmitter receptor
s and postsynaptic signal transmission","SARS-CoV Infections","Generic Transcription Pathway","Erythrocytes take up carbon dioxide and release oxygen","Cellular response to hypoxia","Signaling by NTRK
s","Translesion synthesis by Y family DNA polymerases bypasses lesions on DNA template","Signaling by Interleukins","G1/S DNA Damage Checkpoints","Phase I - Functionalization of compounds","Glucose me
tabolism","Resolution of Abasic Sites (AP sites)","Diseases of carbohydrate metabolism","Neutrophil degranulation","Signaling by TGF-beta Receptor Complex in Cancer","Metabolism of water-soluble vitam
ins and cofactors","Response to elevated platelet cytosolic Ca2+","M Phase","Uptake and actions of bacterial toxins","Eukaryotic Translation Initiation","Mitotic G2-G2/M phases","Axon guidance","Signa
ling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Intra-Golgi and retrograde Golgi-to-ER traffic","GPCR ligand binding","Transport of bile salts and organic acids","metal ions and amine c
ompounds","GPCR downstream signalling","Signaling by VEGF","PIP3 activates AKT signaling","Small interfering RNA (siRNA) biogenesis","Leishmania parasite growth and survival","Regulation of cholestero
l biosynthesis by SREBP (SREBF)","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","HSF1-dependent transactivation","RAF/MAP kinase cascade","Toll Like Receptor 5 (TLR5) Ca
scade","SUMO E3 ligases SUMOylate target proteins","Biosynthesis of DHA-derived SPMs","Glutathione conjugation","Activation of NMDA receptors and postsynaptic events","SARS-CoV-1 Infection","Transcrip
tional Regulation by TP53","Regulation of gene expression by Hypoxia-inducible Factor","Signaling by NTRK1 (TRKA)","Termination of translesion DNA synthesis","Interleukin-1 family signaling","p53-Depe
ndent G1/S DNA damage checkpoint","Amine Oxidase reactions",Gluconeogenesis,"Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Cytochrome P450 - arranged by substrate type
","Glycogen storage diseases","Transcriptional regulation by RUNX3","Loss of Function of SMAD2/3 in Cancer","Metabolism of steroid hormones","Interleukin-12 family signaling","Vitamins B6 activation t
o pyridoxal phosphate","Transcriptional regulation by RUNX1","Platelet degranulation","Mitotic Metaphase and Anaphase","Uptake and function of anthrax toxins","Biosynthesis of DPA-derived SPMs","Cap-d
ependent Translation Initiation","G2/M Transition","Interleukin-4 and Interleukin-13 signaling","EPH-Ephrin signaling","IGF1R signaling cascade","Golgi-to-ER retrograde transport","Class A/1 (Rhodopsi
n-like receptors)","Organic cation/anion/zwitterion transport","G alpha (q) signalling events","VEGF ligand-receptor interactions","Semaphorin interactions","VEGFA-VEGFR2 Pathway","Negative regulation
 of the PI3K/AKT network","Parasite infection","G alpha (i) signalling events","Mitotic Prophase","Anti-inflammatory response favouring Leishmania parasite infection","Activation of gene expression by
 SREBF (SREBP)","HDR through Homologous Recombination (HRR)","Attenuation phase","MyD88 cascade initiated on plasma membrane","SUMOylation of intracellular receptors","Biosynthesis of D-series resolvi
ns","Post NMDA receptor activation events","SARS-CoV-1 Genome Replication and Transcription","Biosynthesis of maresins","Regulation of TP53 Activity","Signalling to ERKs","Interleukin-1 signaling","p5
3-Dependent G1 DNA Damage Response","TP53 Regulates Metabolic Genes","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","PCNA-Dependent Long Patch Base Excision Repair",Xenobio
tics,"Glycogen storage disease type II (GAA)","RUNX3 Regulates Immune Response and Cell Migration","SMAD2/3 MH2 Domain Mutants in Cancer","Pregnenolone biosynthesis","Interleukin-12 signaling","RUNX1 
regulates genes involved in megakaryocyte differentiation and platelet function","Mitotic Anaphase","Biosynthesis of DPAn-3 SPMs","TP53 Regulates Transcription of Cell Cycle Genes","Activation of the 
mRNA upon binding of the cap-binding complex and eIFs","and subsequent binding to 43S","Centrosome maturation","EPHB-mediated forward signaling","IRS-related events triggered by IGF1R","COPI-independe
nt Golgi-to-ER retrograde traffic","Organic anion transport","Gastrin-CREB signalling pathway via PKC and MAPK","VEGF binds to VEGFR leading to receptor dimerization","Sema4D in semaphorin signaling",
"VEGFR2 mediated cell proliferation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Leishmania phagocytosis","Visual phototransduction","Nuclear Envelope Breakdown","FCGR3A-mediated IL10 synthesis"
,"TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Homologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","MAP kinase activation","Replication of 
the SARS-CoV-1 genome","Regulation of TP53 Activity through Phosphorylation","Signalling to RAS","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Stabilization of p53","CYP2E1 reactions","Gene and protei
n expression by JAK-STAT signaling after Interleukin-12 stimulation","Regulation of TP53 Expression and Degradation","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and r
esolvins","TP53 Regulates Transcription of Genes Involved in G2 Cell Cycle Arrest","Translation initiation complex formation","Loss of proteins required for interphase microtubule organization from th
e centrosome","Prolonged ERK activation events","Separation of Sister Chromatids","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","Sema4D mediated inhibition
 of cell attachment and migration","FCGR3A-mediated phagocytosis","The phototransduction cascade","Depolymerisation of the Nuclear Lamina","Presynaptic phase of homologous DNA pairing and strand excha
nge","MAPK targets/ Nuclear events mediated by MAP kinases","p38MAPK events","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","Initiation of Nuclear Envelope (NE) Ref
ormation","Loss of Nlp from mitotic centrosomes","ARMS-mediated activation",Inactivation,"recovery and regulation of the phototransduction cascade","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CA1,CA12,CA14,CA2,CA3,CA4,CA5A,CA5B,CA6,CA7,CA9,CSNK2A1,GSK3B,PRKACA,PRKCA,PRKCB,SQLE,SYK}

> <broad_moa>
{"glutathione transferase inhibitor","non-nucleoside reverse transcriptase inhibitor"}

> <synonyms>
{"ellagic acid",476-66-4,476664,"Benzoaric acid",Elagostasine,Lagistase,"2,3,7,8-Tetrahydroxychromeno(5,4,3-cde)chromene-5,10-dione","2,3,7,8Tetrahydroxychromeno(5,4,3cde)chromene5,10dione","Eleagic a
cid","Alizarine Yellow",Gallogen,"Llagic acid","Acide ellagique","Acido elagico","Acidum ellagicum","C.I. 5500",T0465,NSC407286,1502245,"NSC 407286","Ellagic acid","ELLAGIC ACID"}

> <pdid>
PD001339

> <targets>
{Casein Kinase,Endogenous Metabolite,Reactive Oxygen Species}

> <classes>
{antineoplastic,hemostatic,antimutagenic,Cell Cycle/DNA Damage,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB,Stem Cell/Wnt}

> <pubchem_cids>
{5281855}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 27 26  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    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 O   0  0
   22.0998    0.7500    0.0000 P   0  0
   22.0998    2.2500    0.0000 O   0  5
   20.8009    1.5002    0.0000 O   0  0
   23.3998    0.0000    0.0000 O   0  0
   24.6998    0.7500    0.0000 C   0  0
   25.9998    0.0000    0.0000 C   0  0
   27.2998    0.7500    0.0000 N   0  3
   28.5991    0.0004    0.0000 C   0  0
   27.2998    2.2500    0.0000 C   0  0
   28.5987    1.5002    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 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  2  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
 24 27  1  0
M  CHG  2  19  -1  24   1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25138

> <plate>
PLATE 001

> <well>
A11

> <supplier_cmpd_name>
Miltefosine

> <ctcr_id>
4275

> <supplier_cmpd_id>
T0033

> <smiles>
CCCCCCCCCCCCCCCCO[P]([O-])(=O)OCC[N+](C)(C)C

> <pd_targets>
{FTL,LMNA,HEXB,CDC25A,AKT1}

> <pathway_gtopdb>
{"Unclassified protein","Other nuclear protein",Enzyme,Hydrolase,Phosphatase,Protease,Kinase,"Protein Phosphatase","Cysteine protease","Protein Kinase","Serine/threonine/tyrosine protein phosphatase",
"Cysteine protease CA clan","AGC protein kinase group","Cysteine protease C1A family","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>
{"Vesicle-mediated transport","Cell Cycle",Disease,"Gene expression (Transcription)","Membrane Trafficking",Mitotic,"Diseases of metabolism","Cell Cycle Checkpoints","RNA Polymerase II Transcription",
"trans-Golgi Network Vesicle Budding","M Phase","Diseases of glycosylation","G1/S DNA Damage Checkpoints","Generic Transcription Pathway","Golgi Associated Vesicle Biogenesis","Mitotic Metaphase and A
naphase","Diseases associated with glycosaminoglycan metabolism","p53-Independent G1/S DNA damage checkpoint","Transcriptional Regulation by TP53","Mitotic Anaphase","Defective HEXB causes GM2G2","p53
-Independent DNA Damage Response","Regulation of TP53 Activity","Nuclear Envelope (NE) Reassembly","Ubiquitin Mediated Degradation of Phosphorylated Cdc25A","Regulation of TP53 Expression and Degradat
ion","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Choline, inner salt",Miltefosine,58066-85-6,58066856,Hexadecylphosphocholine,Miltex,Impavido,Hexadecylphosphorylcholine,HDPC,n-Hexadecylphosphorylcholine,nHexadecylphosphorylcholine,Miltefosinum,Mil
tefosina,"hexadecyl 2-(trimethylammonio)ethyl phosphate","hexadecyl 2(trimethylammonio)ethyl phosphate",1-Hexadecylphosphorylch,1Hexadecylphosphorylch,T0033,NSC605583,1505329,"NSC 605583",MILTEFOSINE,
"Miltefosin C"}

> <pdid>
PD000933

> <targets>
{Akt,HIV}

> <classes>
{antineoplastic,Anti-infection,PI3K/Akt/mTOR}

> <pubchem_cids>
{3599}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 12 13  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
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -4.6581    2.9476    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  4  1  0
 10 11  1  0
 11 12  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25139

> <plate>
PLATE 001

> <well>
B2

> <supplier_cmpd_name>
1-Ethyl-2-benzimidazolinone

> <ctcr_id>
11882

> <supplier_cmpd_id>
T2604

> <smiles>
c1ccc2c(c1)[nH]c(=O)n2CC

> <pd_targets>
{CYP1A2,KMT2A,MEN1,KCNN4,LEF,KCNN3,KCNN2,KCNN1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Ion channel","Cytochrome P450",Reader,"Voltage-gated ion channel",Protease,"Cytochrome P450 family 1",Bromodomain,"Potassium channels","Metallo protease","Cytochrome P4
50 family 1A","Calcium-activated potassium channel","Metallo protease MAE clan","Cytochrome P450 1A1","Metallo protease M34 family"}

> <pathway_chembl>
{Enzymes,"Ion channels","Cytochrome P450","Voltage-gated ion channels","CYP1 family","Potassium channels","Calcium- and sodium-activated potassium channels"}

> <pathway_reactome>
{Metabolism,"Neuronal System",Disease,"Biological oxidations","Potassium Channels","Infectious disease","Phase I - Functionalization of compounds","Ca2+ activated K+ channels","Uptake and actions of b
acterial toxins","Cytochrome P450 - arranged by substrate type","Uptake and function of anthrax toxins",Xenobiotics,"Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{KCNN1,KCNN2,KCNN3,KCNN4}

> <broad_moa>
{"potassium channel activator"}

> <synonyms>
{ETHYL2BENZIMIDAZOLINON,10045-45-1,10045451,1-Ethyl-2-benzimidazolinone,1Ethyl2benzimidazolinone,1-EBIO,1EBIO,1-ethyl-1H-benzo(d)imidazol-2(3H)-one,1ethyl1Hbenzo(d)imidazol2(3H)one,1-Ethylbenzimidazol
inone,1Ethylbenzimidazolinone,3-ethyl-1H-benzimidazol-2-one,3ethyl1Hbenzimidazol2one,"1-ethyl-1,3-dihydro-2h-benzimidazol-2-one","1ethyl1,3dihydro2hbenzimidazol2one",1-Ethylbenzimidazolin-2-one,1Ethyl
benzimidazolin2one,2H-Benzimidazol,2HBenzimidazol,T2604}

> <pdid>
PD016751

> <targets>
{"Calcium Channel"}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{82320}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25140

> <plate>
PLATE 001

> <well>
B3

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25141

> <plate>
PLATE 001

> <well>
B4

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25142

> <plate>
PLATE 001

> <well>
B5

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 18 19  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 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    3.8926   -3.7566    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
   -2.5987    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
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  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  1  0
 10 12  2  0
 12  6  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
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25143

> <plate>
PLATE 001

> <well>
B6

> <supplier_cmpd_name>
Flurbiprofen

> <ctcr_id>
3366

> <supplier_cmpd_id>
T0291

> <smiles>
CC(C(O)=O)c1ccc(c(F)c1)c2ccccc2

> <pd_targets>
{PTGS1,PTGS2,FABP2,FABP1,KMT2A,MEN1,TSHR,AKR1C2,AKR1C3,SLC22A6,ASIC1,CYP2C19,MAPT,HPGD,CYP1A2,APH1A,APH1B,NCSTN,PSEN1,PSEN2,PSENEN,CYP2C9,HIF1A,LMNA,ALD}

> <pathway_gtopdb>
{Enzyme,"Auxiliary transport protein","Epigenetic regulator","Membrane receptor",Transporter,"Ion channel",Oxidoreductase,"Fatty acid binding protein family",Reader,"Family A G protein-coupled recepto
r","Electrochemical transporter","Ligand-gated ion channel",Bromodomain,"Peptide receptor (family A GPCR)","SLC superfamily of solute carriers","Acid-sensing ion channel","Glycohormone receptor","SLC2
2 family of organic cation and anion transporters","Other cytosolic protein","Transcription factor","Other nuclear protein","Cytochrome P450",Protease,"Cytochrome P450 family 2","Cytochrome P450 famil
y 1","Aspartic protease","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Aspartic protease AD clan","Cytochrome P450 2C19","Cytochrome P450 1A1","Aspartic protease A22A subfamily","Cytochrome
 P450 2C9","Aspartic protease A22A regulatory subfamily"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,Transporters,"Ion channels","Eicosanoid turnover","Fatty acid-binding proteins","G protein-coupled receptors","SLC superfamily of solute carriers","Ligand-ga
ted ion channels",Cyclooxygenase,"Glycoprotein hormone receptors","Prostaglandin synthases","SLC22 family of organic cation and anion transporters","Acid-sensing (proton-gated) ion channels (ASICs)","
Organic anion transporters (OATs)","Cytochrome P450","CYP2 family: drug metabolising subset","CYP1 family"}

> <pathway_reactome>
{Metabolism,Disease,"Transport of small molecules","Metabolism of lipids","Infectious disease","SLC-mediated transmembrane transport","Ion channel transport","Fatty acid metabolism","Biosynthesis of s
pecialized proresolving mediators (SPMs)","Triglyceride metabolism","Regulation of lipid metabolism by PPARalpha","Leishmania infection","Metabolism of steroids","Transport of bile salts and organic a
cids","metal ions and amine compounds","Stimuli-sensing channels","Arachidonic acid metabolism","Biosynthesis of DPA-derived SPMs","Triglyceride catabolism","PPARA activates gene expression","Leishman
ia parasite growth and survival","Bile acid and bile salt metabolism","Organic cation/anion/zwitterion transport","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of DPAn-3 SPMs"
,"Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of bile acids and bile salts","Organic anion transport","ADORA2B mediated anti-inflammatory cytokines production","Synt
hesis of bile acids and bile salts via 24-hydroxycholesterol","Neuronal System","Cellular responses to external stimuli","Cell Cycle","Biological oxidations","Transmission across Chemical Synapses","C
ellular responses to stress",Mitotic,"Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Cellular response to hypoxia","M Phase","Cytochrome P
450 - arranged by substrate type","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","
Mitotic Metaphase and Anaphase",Xenobiotics,"Post NMDA receptor activation events","Biosynthesis of D-series resolvins","Mitotic Anaphase","CYP2E1 reactions","Activation of AMPK downstream of NMDARs",
"Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{APH1B,BACE1,IKBKG,PSEN1,PSEN2,PTGS1,PTGS2}

> <broad_moa>
{"gamma secretase inhibitor"}

> <synonyms>
{5104-49-4,5104494,Ansaid,Froben,Antadys,"2-(2-fluorobiphenyl-4-yl)propanoic acid","2(2fluorobiphenyl4yl)propanoic acid",Cebutid,Flurofen,Anside,"3-Fluoro-4-phenylhydratropic acid","3Fluoro4phenylhydr
atropic acid",Ocufen,"2-(3-fluoro-4-phenylphenyl)propanoic acid","2(3fluoro4phenylphenyl)propanoic acid","Flurbiprofene (INN-French)","Flurbiprofene (INNFrench)",Flurbiprofenum,SAM002564209,SAM0012469
61,1500308,Prestw-917,S1679,CPD000042823,FLURBIPROFEN,Flurbiprofen}

> <pdid>
PD002326

> <targets>
{Others}

> <classes>
{analgesic,Others,antiinflammatory}

> <pubchem_cids>
{3394}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25144

> <plate>
PLATE 001

> <well>
B7

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 20 21  0  0  0  0            999 V2000
    5.9606   -1.2012    0.0000 Cl  0  5
    3.4598    0.0000    0.0000 C   0  0
    1.9598    0.0000    0.0000 N   0  3
    1.3858    1.3858    0.0000 C   0  0
    0.0000    1.9598    0.0000 C   0  0
   -1.3858    1.3858    0.0000 O   0  0
   -1.9598    0.0000    0.0000 C   0  0
   -3.4606    0.0000    0.0000 C   0  0
   -4.0948    1.3670    0.0000 C   0  0
   -5.5886    1.5028    0.0000 C   0  0
   -6.4532    0.2771    0.0000 C   0  0
   -5.8240   -1.0845    0.0000 C   0  0
   -4.3302   -1.2204    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
   -0.9951   -4.3623    0.0000 C   0  0
    0.1949   -3.4492    0.0000 C   0  0
    0.0000   -1.9598    0.0000 C   0  0
    1.3858   -1.3858    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  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  7 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  3  1  0
M  CHG  2   1  -1   3   1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25145

> <plate>
PLATE 001

> <well>
B8

> <supplier_cmpd_name>
Nefopam hydrochloride

> <ctcr_id>
1849

> <supplier_cmpd_id>
T0470

> <smiles>
[Cl-].C[NH+]1CCOC(c2ccccc2)c3ccccc3C1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Nefopam hydrochloride",23327-57-3,23327573,"Nefopam HCl","Fenazoxine hydrochloride",Acupan,"Nefopam (hydrochloride)","5-Methyl-1-phenyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine hydrochloride","5Methy
l1phenyl3,4,5,6tetrahydro1H2,5benzoxazocine hydrochloride","Nefopam hydrochloride (USAN)","23327-57-3 (HCl)","23327573 (HCl)",S4180,Prestw-229}

> <pdid>

> <targets>
{²-catenin}

> <classes>
{Stem Cell/Wnt}

> <pubchem_cids>
{155290,57516081,31872}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 17 19  0  0  0  0            999 V2000
    3.9015    0.7475    0.0000 O   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
    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 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 N   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
  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 11  1  0
 16 17  2  0
 17  8  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25146

> <plate>
PLATE 001

> <well>
B9

> <supplier_cmpd_name>
2-NP

> <ctcr_id>
11516

> <supplier_cmpd_id>
T2168

> <smiles>
Oc1ccccc1c1ccc2cccnc2n1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{N,"2-(1,8-Naphthyridin-2-yl)phenol","2(1,8Naphthyridin2yl)phenol",65182-56-1,65182561,"Phenol,2-(1,8-naphthyridin-2-yl)-","Phenol,2(1,8naphthyridin2yl)","(6Z)-6-(1H-1,8-naphthyridin-2-ylidene)cyclohe
xa-2,4-dien-1-one","(6Z)6(1H1,8naphthyridin2ylidene)cyclohexa2,4dien1one",Peakdale1_000318,Peakdale1000318,Peakdale1-000318,"Peakdale1 000318",4-CHLOROPHENYLSULFOXIDE,4CHLOROPHENYLSULFOXIDE,SCHEMBL197
7339,HMS518O10,DTXSID00425411,6-(1H-1,6(1H1,8-naphthyridin,8naphthyridin,T2168,2-NP}

> <pdid>
PD040650

> <targets>
{STAT1}

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

> <pubchem_cids>
{2761113}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 13 13  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
    0.0031    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
   -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
  8  9  1  0
  7 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  5  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25147

> <plate>
PLATE 001

> <well>
B10

> <supplier_cmpd_name>
Methyl Vanillate

> <ctcr_id>
11672

> <supplier_cmpd_id>
T2818

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Methyl vanillate","Methyl 4-hydroxy-3-methoxybenzoate","Methyl 4hydroxy3methoxybenzoate",3943-74-6,3943746,"Methyl 3-methoxy-4-hydroxybenzoate","Methyl 3methoxy4hydroxybenzoate","Vanillic acid, meth
yl ester","4-Hydroxy-3-methoxybenzoic acid methyl ester","4Hydroxy3methoxybenzoic acid methyl ester","BENZOIC ACID, 4-HYDROXY-3-METHOXY-, METHYL ESTER","BENZOIC ACID, 4HYDROXY3METHOXY, METHYL ESTER",M
ethy,T2818,"Methyl Vanillate"}

> <pdid>
PD004190

> <targets>
{Wnt}

> <classes>
{"Cytoskeletal Signaling","Stem Cells"}

> <pubchem_cids>
{19844}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25148

> <plate>
PLATE 001

> <well>
B11

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 17 18  0  0  0  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
    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
    4.2566    0.5871    0.0000 O   0  0
    4.9531   -1.9978    0.0000 C   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
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  3  1  0
  8  9  1  0
  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_L8000_Stem cell Differentiation Compound Library

> <id>
25149

> <plate>
PLATE 001

> <well>
C2

> <supplier_cmpd_name>
Cytidine

> <ctcr_id>
3126

> <supplier_cmpd_id>
T1591L

> <smiles>
OCC1OC(C(O)C1O)N2C=CC(=N)NC2=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Cytarabin,.beta.-Arabinosylcytosine,.beta.Arabinosylcytosine,".beta.-Cytosine arabinoside",".beta.Cytosine arabinoside",.beta.-D-Arabinosylcytosine,.beta.DArabinosylcytosine,Cytosine-.beta.-arabinosi
de,Cytosine.beta.arabinoside,Aracytidine,Cytarabinoside,Spongocytidine,1.beta.-D-Arabinosylcytosine,1.beta.DArabinosylcytosine,Alexan,MLS003389283,"Cytosine, .beta.-D-arabinoside","Cytosine, .beta.Dar
abinoside",S2053,Cytidine}

> <pdid>

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{596}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 19 21  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
   -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  2  0
 17 11  1  0
 17 18  1  0
 18  8  1  0
 18 19  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25150

> <plate>
PLATE 001

> <well>
C3

> <supplier_cmpd_name>
Daidzein

> <ctcr_id>
2933

> <supplier_cmpd_id>
T1238

> <smiles>
Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O

> <pd_targets>
{MAOA,MAOB,ESR1,ESR2,KDM4E,SMN1,FABZ,ALDH1A1,HPGD,TP53,CA4,MAPT,NPC1,CYP3A4,NA,HSD17B10,PMP22,THPO,CYP1A2,CA12,CA7,CYP2C19,BLM,CYP2D6,CYP2C9,PYK,ALDH2,LMNA,NFKB1,PKM,RAB9A,AKR1B10,CYP19A1,UGT1A1,CACNA
1C,TRPC5,ESRRG,ESRRB,ESRRA}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Other cytosolic protein",Transporter,"Unclassified protein","Other nuclear protein","Ion channel",Oxidoreductase,"Nuclear receptor",Eraser,Reader
,Lyase,"Cytochrome P450",Hydrolase,Transferase,"Voltage-gated ion channel","Nuclear hormone receptor subfamily 3","Lysine demethylase","Methyl-lysine/arginine binding protein","Cytochrome P450 family 
3","Cytochrome P450 family 1","Cytochrome P450 family 2","Cytochrome P450 family 19","Voltage-gated calcium channel","Transient receptor potential channel","Nuclear hormone receptor subfamily 3 group 
A","Jumonji domain-containing","Tudor domain","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Cytochrome P450 family 19A","Nuclear horm
one receptor subfamily 3 group B","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamily 3 group A member 2","Cytochrome P450 3A4","Cytochrome P450 1A1","Cytochrom
e P450 2C19","Cytochrome P450 2D6","Cytochrome P450 2C9","Cytochrome P450 19A1","Nuclear hormone receptor subfamily 3 group B member 3","Nuclear hormone receptor subfamily 3 group B member 2","Nuclear
 hormone receptor subfamily 3 group B member 1"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Ion channels","Nuclear hormone receptors","Chromatin modifying enzymes","Eicosanoid turnover","Carbonic anhydrases","SLC superfamily of solute carriers","Cytochrome P4
50","1.-.-.- Oxidoreductases","2.7.1.40 Pyruvate kinases","UDP glucuronosyltransferases (UGT)","Voltage-gated ion channels","Steroid hormone receptors","1.14.11.- Histone demethylases","Prostaglandin 
synthases","SLC65 NPC-type cholesterol transporters","CYP3 family","CYP1 family","CYP2 family: drug metabolising subset",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","Voltage-gated calcium channels","
Transient Receptor Potential channels","3B. Estrogen-related receptors","3A. Estrogen receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","Metabolism of RNA",Metabolism,"Cell Cycle","Transport of small molecules","Neuronal System","Developmental Biology",Hemostasis,"DNA Repair","I
mmune System",Disease,"RNA Polymerase II Transcription","Intracellular signaling by second messengers","Metabolism of non-coding RNA","Biological oxidations","Metabolism of lipids","Cell Cycle Checkpo
ints","O2/CO2 exchange in erythrocytes","Transmission across Chemical Synapses","Plasma lipoprotein assembly",remodeling,"and clearance","Metabolism of amino acids and derivatives","Nervous system dev
elopment","Platelet activation","signaling and aggregation","Reversible hydration of carbon dioxide","DNA Double-Strand Break Repair",Mitotic,"Cytokine Signaling in Immune system","Metabolism of carbo
hydrates","Infectious disease","Signaling by Rho GTPases","Metabolism of vitamins and cofactors","Diseases of metabolism","Generic Transcription Pathway","PIP3 activates AKT signaling","snRNP Assembly
","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","G1/S DNA Damage Checkpoints","Erythrocytes take up carbon dioxide and release oxygen","Neurotr
ansmitter receptors and postsynaptic signal transmission","Plasma lipoprotein clearance","Branched-chain amino acid catabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Platel
et Aggregation (Plug Formation)","Homology Directed Repair","Neurotransmitter clearance","M Phase","Signaling by Interleukins","Glucose metabolism","Influenza Infection","Rho GTPase cycle","Metabolism
 of fat-soluble vitamins","Metabolic disorders of biological oxidation enzymes","Axon guidance","Transcriptional regulation by RUNX1","Negative regulation of the PI3K/AKT network","Ethanol oxidation",
"Biosynthesis of DHA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Activation of NMDA receptors and postsynaptic events","LDL clearance","Cytochrome P450 - arranged by substrate type","HDR
 through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Serotonin clearance from the synaptic cleft","Mitotic Metaphase and Anaphase","Interleukin-1 family signaling",Glycolysis,"Vi
rus Assembly and Release","RHOBTB GTPase Cycle","Retinoid metabolism and transport","Defective UGT1A1 causes hyperbilirubinemia","NCAM signaling for neurite out-growth","Netrin-1 signaling","Nuclear R
eceptor transcription pathway","Transcriptional regulation by RUNX2","RUNX1 regulates estrogen receptor mediated transcription",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Biosynthesis of D-seri
es resolvins","p53-Dependent G1 DNA Damage Response","Post NMDA receptor activation events","Biosynthesis of maresins",Xenobiotics,"HDR through Homologous Recombination (HRR)","Metabolism of serotonin
","Mitotic Anaphase","Interleukin-1 signaling","Assembly of Viral Components at the Budding Site","RHOBTB3 ATPase cycle","Endogenous sterols","NCAM1 interactions","Role of second messengers in netrin-
1 signaling","Regulation of RUNX2 expression and activity","Stabilization of p53","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated o
r N-dealkylated by CYP1A2","CYP2E1 reactions","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Transport of HA trimer","NA 
tetramer and M2 tetramer from the endoplasmic reticulum to the Golgi Apparatus","Autodegradation of the E3 ubiquitin ligase COP1","Presynaptic phase of homologous DNA pairing and strand exchange","Ini
tiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{ESRRA,ESRRB,ESRRG,TRPC5}

> <broad_moa>
{"estrogen receptor agonist"}

> <synonyms>
{daidzein,486-66-8,486668,"4',7-Dihydroxyisoflavone","4',7Dihydroxyisoflavone",Daidzeol,"7,4'-Dihydroxyisoflavone","7,4'Dihydroxyisoflavone",7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one,7hydroxy3(4h
ydroxyphenyl)4Hchromen4one,7-hydroxy-3-(4-hydroxyphenyl)chromen-4-one,7hydroxy3(4hydroxyphenyl)chromen4one,7-Hydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one,7Hydroxy3(4hydroxyphenyl)4H1benzopyran4on
e,4H-1-Benzopyran-4-one,4H1Benzopyran4one,T1238,ST-110,200789,Daidzein,DAIDZEIN}

> <pdid>
PD002203

> <targets>
{"Negative control for Genistein."}

> <classes>
{phytoestrogen}

> <pubchem_cids>
{5281708}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 36 37  0  0  0  0            999 V2000
   15.4198   -7.8739    0.0000 Cl  0  5
   12.9198   -7.8739    0.0000 Cl  0  5
    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 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  3
    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
    2.6078   -5.9988    0.0000 C   0  0
    2.6109   -7.4996    0.0000 C   0  0
    3.9117   -8.2481    0.0000 C   0  0
    3.9148   -9.7490    0.0000 C   0  0
    5.2157  -10.4975    0.0000 C   0  0
    5.2188  -11.9983    0.0000 C   0  0
    6.5196  -12.7469    0.0000 C   0  0
    6.5227  -14.2477    0.0000 N   0  3
    5.2236  -14.9979    0.0000 C   0  0
    3.9245  -14.2479    0.0000 C   0  0
    5.2237  -16.4979    0.0000 C   0  0
    6.5227  -17.2478    0.0000 C   0  0
    6.5228  -18.7478    0.0000 N   0  0
    7.8217  -16.4978    0.0000 C   0  0
    9.1208  -17.2477    0.0000 C   0  0
   10.4198  -16.4977    0.0000 C   0  0
   10.4198  -14.9977    0.0000 C   0  0
    9.1207  -14.2477    0.0000 C   0  0
    7.8217  -14.9978    0.0000 C   0  0
  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  2  0
 12 13  1  0
 13  8  1  0
 13 14  2  0
 14  4  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
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  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  2  0
 36 25  1  0
 36 31  1  0
M  CHG  4   1  -1   2  -1  14   1  25   1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25151

> <plate>
PLATE 001

> <well>
C4

> <supplier_cmpd_name>
Dequalinium chloride

> <ctcr_id>
744

> <supplier_cmpd_id>
T0979

> <smiles>
[Cl-].[Cl-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34

> <pd_targets>
{POLB,LMNA,KDM4E,PMP22,NPSR1,RORC,KCNN1,KCNN2,KCNN3,APEX1,CYP3A4,NFO,KMT2A,MEN1,HSD17B10,MAPT,GMNN,CNGA1,HIF1A,ALOX15,THPO,CYP2D6,CYP1A2,RECQL,CHRM1,CNGA2,FFP,HTT,TSHR,ALDH1A1,MTOR,XIAP,KCNMA1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Epigenetic regulator","Unclassified protein","Membrane receptor","Transcription factor","Ion channel","Other cytosolic protein",Eraser,"Family A G protein-coupled rece
ptor","Nuclear receptor","Voltage-gated ion channel","Cytochrome P450",Hydrolase,Reader,Oxidoreductase,Protease,Transferase,Kinase,"Lysine demethylase","Peptide receptor (family A GPCR)","Nuclear horm
one receptor subfamily 1","Potassium channels","Cytochrome P450 family 3",Bromodomain,"Cysteine protease","Cyclic nucleotide-regulated channel","Cytochrome P450 family 2","Cytochrome P450 family 1","S
mall molecule receptor (family A GPCR)","Protein Kinase","Jumonji domain-containing","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Calcium-activated potassiu
m channel","Cytochrome P450 family 3A","Cysteine protease CA clan","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Monoamine receptor","Glycohormone receptor","Atypical protein kinase group",
"Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cysteine protease C1A family","Cytochrome P450 2D6","Cytochrome P450 1A1","Acetylcholine receptor
","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Other protein targets","Chromatin modifying enzymes","G protein-coupled receptors","Nuclear hormone receptors","Cytochrome P450","Voltage-gated ion channels","Eicosa
noid turnover","Kinases (EC 2.7.x.x)","Inhibitors of apoptosis (IAP) protein family","1.14.11.- Histone demethylases","Neuropeptide S receptor","1F. Retinoic acid-related orphans","CYP3 family","Potas
sium channels","Cyclic nucleotide-regulated channels",Lipoxygenases,"CYP2 family: drug metabolising subset","CYP1 family","Acetylcholine receptors (muscarinic)","Glycoprotein hormone receptors",Atypic
al,"Calcium- and sodium-activated potassium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"DNA Repair","Cell Cycle","Developmental Biology",Disease,"Gene expression (Transcription)",Metabolism,"Neuronal System","Signal Transduction","Cellular responses to external stimuli",Hemostasis,"Org
anelle biogenesis and maintenance","Programmed Cell Death","Base Excision Repair",Mitotic,"Nervous system development","Infectious disease","RNA Polymerase II Transcription","Metabolism of lipids","Me
tabolism of amino acids and derivatives","Transmission across Chemical Synapses","Potassium Channels","Signaling by GPCR","Cellular responses to stress","Platelet activation","signaling and aggregatio
n","Biological oxidations","Cilium Assembly",Apoptosis,"Platelet homeostasis","Resolution of Abasic Sites (AP sites)","M Phase","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Leishm
ania infection","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Neurotransmitter receptors and postsynaptic signal t
ransmission","Mitotic G1 phase and G1/S transition","Ca2+ activated K+ channels","GPCR downstream signalling","Cellular response to hypoxia","Platelet Aggregation (Plug Formation)","Phase I - Function
alization of compounds","GPCR ligand binding","Cargo trafficking to the periciliary membrane","Intrinsic Pathway for Apoptosis","Nitric oxide stimulates guanylate cyclase","Resolution of AP sites via 
the multiple-nucleotide patch replacement pathway","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","
Activation of NMDA receptors and postsynaptic events","G1/S Transition","G alpha (i) signalling events","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DPA-
derived SPMs","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","VxPx cargo-targeting to cilium","Transcriptional Regulation by MECP2","Ethanol oxidation","Transcri
ptional Regulation by TP53","Apoptotic factor-mediated response","cGMP effects","PCNA-Dependent Long Patch Base Excision Repair","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania par
asite infection","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Post NMDA receptor activation events","Activation of the pre-replicative complex","Visual phototransdu
ction","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Amine ligand-binding receptors","Regulation of MECP2 expression and activity","Regulation of TP53 Activity","Cytochrome c-mediated apoptotic response"
,"Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","The phototransduction casca
de","Biosynthesis of DPAn-3-derived protectins and resolvins","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Muscarinic acetylcholine receptors","Regulation of 
TP53 Expression and Degradation","Formation of apoptosome","Initiation of Nuclear Envelope (NE) Reformation","Activation of the phototransduction cascade","Regulation of TP53 Degradation","Regulation 
of the apoptosome activity"}

> <broad_targets>
{KCNN1,KCNN3}

> <broad_moa>
{"PKC inhibitor"}

> <synonyms>
{522-51-0,522510,"522 51 0","dequalinium chloride","Dequalinium Dichloride","Dequalinium (Chloride)",Dequadin,Labosept,Evazol,Sorot,"Dequalinii chloridum",Dekadin,Dekamin,Dequavagyn,Dequavet,Erosept,G
rocreme,Oralgol,Polycidine,Rumi,Prestw-388,"Dequalinium dichloride"}

> <pdid>
PD006879

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{10649}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 11 11  0  0  1  0            999 V2000
    7.8083   -0.6274    0.0000 Cl  0  0
    5.3077   -0.6882    0.0000 N   0  0
    4.0197   -1.4569    0.0000 C   0  0  2  0  0  0
    3.2676   -2.7548    0.0000 C   0  0
    2.5987   -1.5004    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
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  3  1  0
  5  6  1  1
  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_L8000_Stem cell Differentiation Compound Library

> <id>
25152

> <plate>
PLATE 001

> <well>
C5

> <supplier_cmpd_name>
Tranylcypromine (2-PCPA) hydrochloride

> <ctcr_id>
10998

> <supplier_cmpd_id>
T1025

> <smiles>
Cl.N[C@@H]1C[C@H]1c1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{KDM1A,MAOA,MAOB}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{98647,1986-47-6,1986476,"trans-2-Phenylcyclopropanamine hydrochloride","trans2Phenylcyclopropanamine hydrochloride","Tranylcypromine hydrochloride","trans-2-Phenylcyclopropylamine hydrochloride","tra
ns2Phenylcyclopropylamine hydrochloride","(1R,2S)-2-phenyl-cyclopropylamine hydrochloride","(1R,2S)2phenylcyclopropylamine hydrochloride",37388-05-9,37388059,"2-PCPA Hydrochloride","2PCPA Hydrochlorid
e",(1R,2S)-2-Phenylcyclopro,2S)2Phenylcyclopro,T1025,"Tranylcypromine (2-PCPA) hydrochloride"}

> <pdid>
PD013254

> <targets>
{MAO}

> <classes>
{Metabolism}

> <pubchem_cids>
{2723716}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 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
    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
   11.6978   -0.7689    0.0000 C   0  0
   10.3979   -1.5174    0.0000 O   0  0
   12.9957   -1.5207    0.0000 O   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  1  0
 14 16  2  0
  3 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22  2  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25153

> <plate>
PLATE 001

> <well>
C6

> <supplier_cmpd_name>
Tretinoin

> <ctcr_id>
4718

> <supplier_cmpd_id>
T1051

> <smiles>
CC1=C(\C=C\C(C)=C\C=C\C(C)=C/C(O)=O)C(C)(C)CCC1

> <pd_targets>
{RARB,RARG,PPARD,NR2E1,RARA,RXRA,RXRB,FFP,RXRG,ALDH1A1,TGR,RORC,CYP3A4,CRABP1,RORB,PIN1,S1PR1,CRABP2,GROES,GROL,HIF1A,KDM4E,FTL,MAPT,MAPK1,RORA,TST,DUSP1,GMNN,NR2C2,KMT2A,MEN1,HSPD1,HSPE1,BLM,RECQL,AD
ORA3,HTR2B,IDO2,RARRES1,THRB,ABCB11,MAPK14,PMP22,ADRA2B,MTOR,OR51E2,NR1H2,NR1H3,NR4A1,VKORC1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Auxiliary transport protein","Membrane receptor","Unclassified protein","Epigenetic regulator","Other cytosolic protein","Nuclear receptor",Transferase,Oxidoreductase,"
Cytochrome P450","Fatty acid binding protein family",Isomerase,"Family A G protein-coupled receptor",Eraser,Protease,Kinase,Phosphatase,Reader,"Nuclear hormone receptor subfamily 1","Nuclear hormone r
eceptor subfamily 2","Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Lysine demethylase","Cysteine protease","Protein Kinase","Protein Phosphatase",Bromodomain,"Nuclear hormone r
eceptor subfamily 1 group B","Nuclear hormone receptor subfamily 1 group C","Nuclear hormone receptor subfamily 2 group E","Nuclear hormone receptor subfamily 2 group B","Nuclear hormone receptor subf
amily 1 group F","Cytochrome P450 family 3A","Lipid-like ligand receptor (family A GPCR)","Jumonji domain-containing","Cysteine protease CA clan","CMGC protein kinase group","Serine/threonine/tyrosine
 protein phosphatase","Nuclear hormone receptor subfamily 2 group C","Nucleotide-like receptor (family A GPCR)","Monoamine receptor","Nuclear hormone receptor subfamily 1 group B member 2","Nuclear ho
rmone receptor subfamily 1 group B member 3","Nuclear hormone receptor subfamily 1 group C member 2","Nuclear hormone receptor subfamily 2 group E member 1","Nuclear hormone receptor subfamily 1 group
 B member 1","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 re
ceptor subfamily 1 group F member 3","Cytochrome P450 3A4","EDG receptor","Cysteine protease C1A family","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 1","Nucl
ear hormone receptor subfamily 2 group C member 2","Adenosine receptor","Serotonin receptor","CMGC protein kinase ERK1",Transporter,"Primary active transporter","ATP-binding cassette","Nuclear hormone
 receptor subfamily 1 group A","ABCB subfamily","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group A member 2","Adrenergic receptor","Atypical protein kinase PIKK family","CMG
C protein kinase p38 subfamily","Atypical protein kinase FRAP subfamily","Nuclear hormone receptor subfamily 4","Nuclear hormone receptor subfamily 1 group H","Nuclear hormone receptor subfamily 4 gro
up A","Nuclear hormone receptor subfamily 1 group H member 3","Nuclear hormone receptor subfamily 4 group A member 1"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Nuclear hormone receptors","Cytochrome P450","Fatty acid-binding proteins","Peptidyl-prolyl cis/trans isomerases","G protein-coupled receptors","Chromatin m
odifying enzymes","Kinases (EC 2.7.x.x)","1.13.11.- Dioxygenases","1B. Retinoic acid receptors","1C. Peroxisome proliferator-activated receptors","2E. Tailless-like receptors","2B. Retinoid X receptor
s","1F. Retinoic acid-related orphans","CYP3 family","Lysophospholipid (S1P) receptors","1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","2C. Testicular receptors","Ade
nosine receptors","5-Hydroxytryptamine receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily",Transporters,"ATP-binding cassette transporter family","1A. Thyroid hormone receptor
s","ABCB subfamily",Adrenoceptors,Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","p38 subfamily","FRAP subfamily","1.-.-.- Oxidoreductases","1H. Liver X receptor-like recepto
rs","4A. Nerve growth factor IB-like receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Signal Transduction","Metabolism of proteins","Cellular responses to external stimuli","Vesicle-mediated transport","Neuronal System","Immune System","Ce
ll Cycle","DNA Repair","RNA Polymerase II Transcription","The citric acid (TCA) cycle and respiratory electron transport","Intracellular signaling by second messengers","Post-translational protein mod
ification","Metabolism of lipids","Biological oxidations","Signaling by Nuclear Receptors","Signaling by GPCR","Cellular responses to stress","Membrane Trafficking","Transmission across Chemical Synap
ses","Innate Immune System","Metabolism of amino acids and derivatives","MAPK family signaling cascades",Mitotic,"DNA Double-Strand Break Repair","Generic Transcription Pathway","Pyruvate metabolism a
nd Citric Acid (TCA) cycle","PIP3 activates AKT signaling",SUMOylation,"Metabolism of steroids","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","
Signaling by Retinoic Acid","GPCR ligand binding","Cellular response to hypoxia","trans-Golgi Network Vesicle Budding","Neurotransmitter receptors and postsynaptic signal transmission","Toll-like Rece
ptor Cascades","Sulfur amino acid metabolism","MAPK1/MAPK3 signaling","Mitotic G1 phase and G1/S transition","Homology Directed Repair","Tryptophan catabolism","Nuclear Receptor transcription pathway"
,"Pyruvate metabolism","PTEN Regulation","SUMO E3 ligases SUMOylate target proteins","Bile acid and bile salt metabolism","Ethanol oxidation","Transcriptional regulation by RUNX3","Biosynthesis of DHA
-derived SPMs","RA biosynthesis pathway","Transcriptional Regulation by TP53","Class A/1 (Rhodopsin-like receptors)","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Golgi A
ssociated Vesicle Biogenesis","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR5) Cascade","Degradation of cysteine and homocysteine","RAF/MAP kinase cascade","G1/S Tra
nsition","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Regulation of pyruvate dehydrogenase (PDH) complex","Regulation of PTEN gene transcription","SUMOylation of intr
acellular receptors","Synthesis of bile acids and bile salts","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Regulation of TP53 Activity","Lysosphingolipid and LPA re
ceptors","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","Sulfide oxidation to sulfate","Negative regulation of MAPK pathway","Activation of the pre-replicative com
plex","HDR through Homologous Recombination (HRR)","Nucleotide-like (purinergic) receptors","Amine ligand-binding receptors","Synthesis of bile acids and bile salts via 27-hydroxycholesterol","Biosynt
hesis of maresin-like SPMs","Regulation of TP53 Activity through Acetylation","Activation of AMPK downstream of NMDARs","MAP kinase activation","Homologous DNA Pairing and Strand Exchange","Adenosine 
P1 receptors","Serotonin receptors","PI5P Regulates TP53 Acetylation","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","ERK/MAPK
 targets","ERKs are inactivated","Developmental Biology","Nervous system development","EGR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR downstream signalling","G alpha (s) signall
ing events","Olfactory Signaling Pathway","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol",Adrenoceptors,"Regulation of TP53 Expression and Degradation","Regulation of TP53 Degra
dation","Activation of the AP-1 family of transcription factors",Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of vitamins and cofactors","PI3K
/AKT Signaling in Cancer","Metabolism of fat-soluble vitamins","Constitutive Signaling by AKT1 E17K in Cancer","Metabolism of vitamin K"}

> <broad_targets>
{ALDH1A1,ALDH1A2,GPRC5A,NR0B1,NR2C2,PPARD,RARA,RARB,RARG,RARRES1,RORB,RORC,RXRB,RXRG}

> <broad_moa>
{"retinoid receptor agonist","retinoid receptor ligand"}

> <synonyms>
{Isotretinoin,"13-cis-Retinoic acid","13cisRetinoic acid",4759-48-2,4759482,Accutane,Roaccutane,"Neovitamin A acid","13-cis-Vitamin A acid","13cisVitamin A acid","13-cis retinoic acid","13cis retinoic
 acid",Claravis,Amnesteem,Isotrex,Teriosal,Sotret,ISOTRETINON,isotretinoino,Isotretinoine,Isotretinoinum,Roaccutan,1,T1611,T1051,SAM002548955,1502013,Prestw-256,Tretinoin,CPD000471891}

> <pdid>
PD001430

> <targets>
{}

> <classes>
{antineoplastic,antiacne}

> <pubchem_cids>
{5282379}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25154

> <plate>
PLATE 001

> <well>
C7

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25155

> <plate>
PLATE 001

> <well>
C8

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 24  0  0  0  0            999 V2000
    5.1937   -3.0093    0.0000 C   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 S   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
    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
    2.5844   -7.5034    0.0000 C   0  0
    1.2827   -8.2489    0.0000 C   0  0
    2.5895   -6.0034    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
  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  9  1  0
 14 15  2  0
 15  6  1  0
  2 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
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25156

> <plate>
PLATE 001

> <well>
C9

> <supplier_cmpd_name>
Tolnaftate

> <ctcr_id>
1680

> <supplier_cmpd_id>
T1094

> <smiles>
CN(C(=S)Oc1ccc2ccccc2c1)c3cccc(C)c3

> <pd_targets>
{CYP2C9,MAPT,CYP2C19,CYP3A4,LMNA,TDP1,LEF,CYP1A2,HTR2B,CYP51A1,ERG1}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Other nuclear protein","Membrane receptor","Cytochrome P450",Hydrolase,Protease,"Family A G protein-coupled receptor","Cytochrome P450 family 2","Cytochrome P450 fam
ily 3","Metallo protease","Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Cytochrome P450 family 51","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Metallo protease MAE
 clan","Cytochrome P450 family 1A","Monoamine receptor","Cytochrome P450 family 51A","Cytochrome P450 2C9","Cytochrome P450 2C19","Cytochrome P450 3A4","Metallo protease M34 family","Cytochrome P450 1
A1","Serotonin receptor","Cytochrome P450 51A1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","CYP2 family: drug metabolising subset","CYP3 family","CYP1 family","5-Hydroxytryptamine receptors",CYP39,"CYP46 and CYP51 families"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Cell Cycle","DNA Repair",Disease,"Signal Transduction","Biological oxidations","Transmission across Chemical Synapses","Metabolism of lipids",Mitotic,"DNA Double-Strand 
Break Repair","Infectious disease","Signaling by GPCR","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proreso
lving mediators (SPMs)","M Phase","Nonhomologous End-Joining (NHEJ)","Uptake and actions of bacterial toxins","GPCR ligand binding","Cytochrome P450 - arranged by substrate type","Activation of NMDA r
eceptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","Uptake and function of anthrax toxins","Class A/1 (Rhodopsin-like receptors)",Xenobiotics,"Post N
MDA receptor activation events","Biosynthesis of maresins","Mitotic Anaphase","Amine ligand-binding receptors","Endogenous sterols","CYP2E1 reactions","Activation of AMPK downstream of NMDARs","Biosyn
thesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Serotonin receptors","Initiation of Nuclear Envelope (NE) Reformatio
n"}

> <broad_targets>
{}

> <broad_moa>
{"fungal squalene epoxidase inhibitor"}

> <synonyms>
{tolnaftate,2398-96-1,2398961,Tinactin,Tolnaphthate,Tonoftal,Sporiline,Tinaderm,Tolsanil,Aftate,Chinofungin,Dermoxin,Focusan,Tinavet,Pitrex,"Naphthiomate T",Phytoderm,Timoped,Tritin,HI-Alazin,HIAlazin
,Fungistop,Tolnaftato,Tolnaftatum,Sorgoa,Dungistop,Tniaderm,Se,T1094,1500583,Prestw-70,Tolnaftate,TOLNAFTATE}

> <pdid>
PD001724

> <targets>
{}

> <classes>
{antifungal}

> <pubchem_cids>
{5510}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25157

> <plate>
PLATE 001

> <well>
C10

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 33 36  0  0  0  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
    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
    6.4971    0.7567    0.0000 O   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
    5.1932   -3.0130    0.0000 O   0  0
    3.8864   -5.2585    0.0000 C   0  0
    5.1828   -6.0130    0.0000 O   0  0
    2.5847   -6.0040    0.0000 C   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  0
  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  1  0
 21 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  2  0
 27 19  1  0
  4 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  1  0
 32  2  1  0
 32 33  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25158

> <plate>
PLATE 001

> <well>
C11

> <supplier_cmpd_name>
Myricetrin

> <ctcr_id>
4234

> <supplier_cmpd_id>
T2757

> <smiles>
CC1OC(OC2=C(Oc3cc(O)cc(O)c3C2=O)c4cc(O)c(O)c(O)c4)C(O)C(O)C1O

> <pd_targets>
{GAA,MPI,FFP,POS-1,AURKB,MAPT,ALD,POLB,RECQL,KDM4E,TDP1,ALDH1A1,MEX-5,P4HB,L3MBTL1,REP}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other cytosolic protein","Epigenetic regulator",Hydrolase,Isomerase,Transferase,Kinase,Eraser,Oxidoreductase,Reader,"Protein Kinase","Lysine demethylase","Methyl-lysine
/arginine binding protein","Other protein kinase group","Jumonji domain-containing","MBT domain","Other protein kinase AUR family"}

> <pathway_chembl>
{Enzymes,Receptors,"3.2.1.- Glycosidases","Catalytic receptors","Chromatin modifying enzymes","Receptor kinases","1.14.11.- Histone demethylases","Other protein kinases","Aurora kinase (Aur) family","
Other protein targets","Anti-infective targets","Viral protein targets","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{Disease,"Metabolism of proteins","Cell Cycle","Neuronal System","DNA Repair",Metabolism,"Immune System","Gene expression (Transcription)","Diseases of metabolism","Post-translational protein modifica
tion",Mitotic,"Transmission across Chemical Synapses","Base Excision Repair","DNA Double-Strand Break Repair","Biological oxidations","Cytokine Signaling in Immune system","RNA Polymerase II Transcrip
tion","Diseases of carbohydrate metabolism","Asparagine N-linked glycosylation","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Resolution of Abasic Sites (AP sites)","Non
homologous End-Joining (NHEJ)","Phase I - Functionalization of compounds","Signaling by Interleukins","Generic Transcription Pathway","Glycogen storage diseases","Biosynthesis of the N-glycan precurso
r (dolichol lipid-linked oligosaccharide","LLO) and transfer to a nascent protein","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Resolution of AP sites via t
he multiple-nucleotide patch replacement pathway","Ethanol oxidation","Interleukin-12 family signaling","Transcriptional Regulation by TP53","Glycogen storage disease type II (GAA)","Synthesis of subs
trates in N-glycan biosythesis","Mitotic Anaphase","Post NMDA receptor activation events","PCNA-Dependent Long Patch Base Excision Repair","Interleukin-12 signaling","Regulation of TP53 Activity","Syn
thesis of GDP-mannose","Separation of Sister Chromatids","Activation of AMPK downstream of NMDARs","Regulation of TP53 Activity through Methylation","Infectious disease","SARS-CoV Infections","SARS-Co
V-2 Infection","SARS-CoV-2 Genome Replication and Transcription","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
{NOS1,PRKCA}

> <broad_moa>
{"PKC inhibitor"}

> <synonyms>
{"Myricetin 3-rhamnoside","Myricetin 3rhamnoside",MLS000737865,"Rhamnoside,myricetin-3","Rhamnoside,myricetin3","Myricetin 3-O-L-rhamnoside","Myricetin 3OLrhamnoside",SMR000528196,"Myricitrin (8CI)",N
SC-19803,NSC19803,"Flavone,3,3',4',5,5',7-hexahydroxy-,3-rhamnoside","Flavone,3,3',4',5,5',7hexahydroxy,3rhamnoside",CHEMBL1599224,SCHEMBL13240936,SCHEMBL22788153,cid_5352000,cid5352000,cid-5352000,"c
id 5352000",Myr,T2757,S2327,"NSC 19803",Myricetrin,Myricitrin,MYRICITRIN}

> <pdid>
PD021617

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{5352000}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25159

> <plate>
PLATE 001

> <well>
D2

> <supplier_cmpd_name>
Sinomenine

> <ctcr_id>
3742

> <supplier_cmpd_id>
T2726

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 14 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
    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
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  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  3  1  0
 13 14  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25160

> <plate>
PLATE 001

> <well>
D3

> <supplier_cmpd_name>
2-Methoxynaphthoquinone

> <ctcr_id>
11883

> <supplier_cmpd_id>
T3008

> <smiles>
COC1=CC(=O)c2ccccc2C1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{METHOXYNAPHTHOQUINON,"2-Methoxy-1,4-naphthoquinone","2Methoxy1,4naphthoquinone",2348-82-5,2348825,2-Methoxynaphthoquinone,2Methoxynaphthoquinone,"2-methoxynaphthalene-1,4-dione","2methoxynaphthalene1
,4dione","1,4-Naphthalenedione, 2-methoxy-","1,4Naphthalenedione, 2methoxy",2-Methoxy-p-naphthoquinone,2Methoxypnaphthoquinone,"lawsone methyl ether","1,4-NAPHTHOQUINONE, 2-METHOXY-","1,4NAPHTHOQUINON
E, 2METHOXY",UNII-39020BUT1D,UNII39020BUT1D,T3008}

> <pdid>
PD000869

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{16871}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25161

> <plate>
PLATE 001

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 24  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
   -5.1961   -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  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
 18 20  1  0
 20 21  2  0
 21 14  1  0
 21 22  1  0
 22 10  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25162

> <plate>
PLATE 001

> <well>
D5

> <supplier_cmpd_name>
Hesperetin

> <ctcr_id>
2860

> <supplier_cmpd_id>
T2565

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

> <pd_targets>
{CYP2C19,HIF1A,CYP2C9,DPP4,KDM1A,CYP3A4,CA4,CA12,ALDH1A1,CYP1A2,MAPK1,HSD17B10,GSK3B,CA7,CYP2D6,REP,CYP1A1,TSHR,ATM,CYP1B1,RAB9A,RORC,AMPC,NPC1,SOAT1,SOAT2,MTTP,MAPT,FTL,SMN1,HPGD}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Membrane receptor",Transporter,"Other cytosolic protein","Unclassified protein","Cytochrome P450",Protease,Eraser,Lyase,Oxidoreductase,Kinase,"Fa
mily A G protein-coupled receptor",Hydrolase,"Nuclear receptor",Transferase,Reader,"Cytochrome P450 family 2","Serine protease","Lysine demethylase","Cytochrome P450 family 3","Cytochrome P450 family 
1","Protein Kinase","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Methyl-lysine/arginine binding protein","Cytochrome P450 family 2C","Serine protease SC clan","Lysine-spe
cific demethylase","Cytochrome P450 family 3A","Cytochrome P450 family 1A","CMGC protein kinase group","Cytochrome P450 family 2D","Glycohormone receptor","Atypical protein kinase group","Cytochrome P
450 family 1B","Nuclear hormone receptor subfamily 1 group F","Tudor domain","Cytochrome P450 2C19","Cytochrome P450 2C9","Serine protease S9B subfamily","Cytochrome P450 3A4","Cytochrome P450 1A1","C
MGC protein kinase MAPK family","CMGC protein kinase GSK family","Cytochrome P450 2D6","Atypical protein kinase PIKK family","Cytochrome P450 1B1","Nuclear hormone receptor subfamily 1 group F member 
3","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,Transporters,"Cytochrome P450","Peptidases and proteinases","Chromatin modifying enzymes","Carbonic anhydrases","Kinases (EC 2.7.x.x)","Anti-infective target
s","G protein-coupled receptors","Nuclear hormone receptors","SLC superfamily of solute carriers","Eicosanoid turnover","CYP2 family: drug metabolising subset","SC: Serine (S) Peptidases","1.14.11.- H
istone demethylases","CYP3 family","CYP1 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Viral protein targets","Glycoprotein hormone receptors",Atypical,"1F. Retinoic acid-related orphans","
SLC65 NPC-type cholesterol transporters","Prostaglandin synthases","S9: Prolyl oligopeptidase","Mitogen-activated protein kinases (MAP kinases)","Glycogen synthase kinase (GSK) family","Coronavirus (C
oV) proteins","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","GSK subfamily","Other PIKK family kinases"}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli","Metabolism of proteins","Signal Transduction","Transport of small molecules","Immune System",Disease,"Cell Cycle","Gene expression (Transcription)
","Neuronal System","Vesicle-mediated transport","Metabolism of RNA","Biological oxidations","Cellular responses to stress","Peptide hormone metabolism","Intracellular signaling by second messengers",
"Metabolism of lipids","O2/CO2 exchange in erythrocytes","Reversible hydration of carbon dioxide","Innate Immune System","Metabolism of amino acids and derivatives","Infectious disease","Cell Cycle Ch
eckpoints","Signaling by Rho GTPases","RNA Polymerase II Transcription","Plasma lipoprotein assembly",remodeling,"and clearance","Transmission across Chemical Synapses","Membrane Trafficking","Metabol
ism of non-coding RNA","Phase I - Functionalization of compounds","Cellular response to hypoxia","Incretin synthesis",secretion,"and inactivation","PIP3 activates AKT signaling","Biosynthesis of speci
alized proresolving mediators (SPMs)","Erythrocytes take up carbon dioxide and release oxygen","Toll-like Receptor Cascades","Branched-chain amino acid catabolism","SARS-CoV Infections","Leishmania in
fection","G1/S DNA Damage Checkpoints","Rho GTPase cycle","Generic Transcription Pathway","Plasma lipoprotein clearance","Neurotransmitter receptors and postsynaptic signal transmission","trans-Golgi 
Network Vesicle Budding","snRNP Assembly","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha",Synthesis,"and inactivation of Gluca
gon-like Peptide-1 (GLP-1)","PTEN Regulation","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","SARS-CoV-1 Infection","Leishmania parasite growth and surviv
al","p53-Dependent G1/S DNA damage checkpoint","RHOBTB GTPase Cycle","Transcriptional regulation by RUNX3","LDL clearance","Chylomicron assembly","Activation of NMDA receptors and postsynaptic events"
,"Golgi Associated Vesicle Biogenesis",Xenobiotics,"Regulation of PTEN gene transcription","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","SARS-CoV-1 Genome Replication and Tr
anscription","Anti-inflammatory response favouring Leishmania parasite infection","p53-Dependent G1 DNA Damage Response","Endogenous sterols","RHOBTB3 ATPase cycle","RUNX3 Regulates Immune Response an
d Cell Migration","Post NMDA receptor activation events","Biosynthesis of D-series resolvins","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkyl
ated by CYP1A2","MAP kinase activation","Replication of the SARS-CoV-1 genome","ADORA2B mediated anti-inflammatory cytokines production","Stabilization of p53","Activation of AMPK downstream of NMDARs
","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{DGAT1,MTTP,SOAT1,SOAT2}

> <broad_moa>
{"ACAT inhibitor"}

> <synonyms>
{Hesperitin,520-33-2,520332,"3',5,7-Trihydroxy-4'-methoxyflavanone","3',5,7Trihydroxy4'methoxyflavanone",(-)-hesperetin,()hesperetin,YSO2,"Cyanidanon 4'-methyl ether 1626","Cyanidanon 4'methyl ether 1
626","(S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chroman-4-one","(S)5,7dihydroxy2(3hydroxy4methoxyphenyl)chroman4one","NSC 57654",Prestwick_908,Prestwick908,Prestwick-908,"Prestwick 908",UNII-Q9Q3
D557F1,UNIIQ9Q3D557F1,5,7,3'-Trihydroxy-,3'Trihydroxy,T2565,S2308,310012,Hesperetin,HESPERETIN}

> <pdid>
PD001966

> <targets>
{"Histamine Receptor"}

> <classes>
{TGF-beta/Smad}

> <pubchem_cids>
{72281}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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
   -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
   -0.0079   -6.0003    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -3.9051   -5.2503    0.0000 Cl  0  0
   -1.3102   -9.7511    0.0000 N   0  3
   -0.0124  -10.5034    0.0000 O   0  5
   -2.6103  -10.4993    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
  5  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  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
 15 19  1  0
 19 20  1  0
 19 21  2  0
M  CHG  2  19   1  20  -1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25163

> <plate>
PLATE 001

> <well>
D6

> <supplier_cmpd_name>
Niclosamide

> <ctcr_id>
164

> <supplier_cmpd_id>
T0711

> <smiles>
Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+]([O-])=O

> <pd_targets>
{PMP22,REP,FTL,LMNA,SMN1,TSHR,CYP2C19,NFO,PKM,NPC1,TP53,SRC,AKT1,CYP1A2,PDPK1,LYN,KCNT1,HIF1A,ALDH1A1,KMT2A,MEN1,THPO,GSK3B,CYP3A4,KDR,G6PD-6PGL,HTT,LEF,BLM,CHRM1,CYP2D6,KIT,TEK,JAK2,AURKA,MAPT,RORC,F
GFR1,RAB9A,GMNN,CYP2C9,EGFR,PYK,AMPC,MTOR,STAT3,NPY4R}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Other nuclear protein","Epigenetic regulator","Membrane receptor",Transporter,"Transcription factor","Other cytosolic protein",Reader,"Family A G protein-coupled recept
or","Cytochrome P450",Hydrolase,Kinase,Oxidoreductase,Protease,"Nuclear receptor",Transferase,"Methyl-lysine/arginine binding protein","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Pr
otein Kinase","Cytochrome P450 family 1",Bromodomain,"Cytochrome P450 family 3","Metallo protease","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Cysteine protease",
"Tudor domain","Glycohormone receptor","Cytochrome P450 family 2C","TK protein kinase group","AGC protein kinase group","Cytochrome P450 family 1A","CMGC protein kinase group","Cytochrome P450 family 
3A","Metallo protease MAE clan","Monoamine receptor","Cytochrome P450 family 2D","Other protein kinase group","Nuclear hormone receptor subfamily 1 group F","Cysteine protease CA clan","Atypical prote
in kinase group","Short peptide receptor (family A GPCR)","Cytochrome P450 2C19","Tyrosine protein kinase Src family","AGC protein kinase AKT family","Cytochrome P450 1A1","AGC protein kinase PDK1 sub
family","CMGC protein kinase GSK family","Cytochrome P450 3A4","Tyrosine protein kinase VEGFR family","Metallo protease M34 family","Acetylcholine receptor","Cytochrome P450 2D6","Tyrosine protein kin
ase PDGFR family","Tyrosine protein kinase Tie family","Tyrosine protein kinase JakA family","Other protein kinase AUR family","Nuclear hormone receptor subfamily 1 group F member 3","Tyrosine protein
 kinase FGFR family","Cytochrome P450 2C9","Tyrosine protein kinase EGFR family","Cysteine protease C1A family","Atypical protein kinase PIKK family","Neuropeptide Y receptor","Atypical protein kinase
 FRAP subfamily"}

> <pathway_chembl>
{"Other protein targets",Receptors,Enzymes,Transporters,"Ion channels","Anti-infective targets","G protein-coupled receptors","Cytochrome P450","2.7.1.40 Pyruvate kinases","SLC superfamily of solute c
arriers","Catalytic receptors","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Nuclear hormone receptors","Transcription factors","Viral protein targets","Glycoprotein hormone receptors","CYP2 fa
mily: drug metabolising subset","SLC65 NPC-type cholesterol transporters","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","CYP1 family","Potassium channels","CMGC: Containing CDK",MAPK,GSK
3,"CLK families","CYP3 family","Acetylcholine receptors (muscarinic)","1F. Retinoic acid-related orphans",Atypical,"STAT transcription factors","Neuropeptide Y receptors","Coronavirus (CoV) proteins",
"TK: Tyrosine kinase","Akt (Protein kinase B","PKB) family","PDK1 family","Calcium- and sodium-activated potassium channels","Glycogen synthase kinase (GSK) family","Other protein kinases","Phosphatid
yl inositol 3' kinase-related kinases (PIKK) family","Non-receptor tyrosine kinases (nRTKs)","GSK subfamily","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) family","FRAP subfamily","Src famil
y","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Janus kinase 
(JakA) family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology",Disease,"Vesicle-mediated transport","Cell Cycle","Metabolism of RNA",Metabolism,"Transport of small molecules","Signal Transduction","Gene expression (Transcription)","Cellul
ar responses to external stimuli",Hemostasis,"DNA Repair","Neuronal System","Nervous system development","Infectious disease","Membrane Trafficking",Mitotic,"Metabolism of non-coding RNA","Biological 
oxidations","Metabolism of carbohydrates","Plasma lipoprotein assembly",remodeling,"and clearance","Cell Cycle Checkpoints","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","
Cellular responses to stress","Platelet activation","signaling and aggregation","Metabolism of lipids","DNA Double-Strand Break Repair","Signaling by GPCR","Diseases of signal transduction by growth f
actor receptors and second messengers","MAPK family signaling cascades","Transmission across Chemical Synapses","Signaling by Rho GTPases","EGR2 and SOX10-mediated initiation of Schwann cell myelinati
on","SARS-CoV Infections","trans-Golgi Network Vesicle Budding","M Phase","snRNP Assembly","Leishmania infection","Phase I - Functionalization of compounds","Glucose metabolism","Plasma lipoprotein cl
earance","G1/S DNA Damage Checkpoints","Signaling by NTRKs","Generic Transcription Pathway","Cellular response to hypoxia","Platelet Aggregation (Plug Formation)","Biosynthesis of specialized proresol
ving mediators (SPMs)","Signaling by VEGF","Uptake and actions of bacterial toxins","Homology Directed Repair","GPCR ligand binding","Signaling by KIT in disease","MAPK1/MAPK3 signaling","Mitotic G1 p
hase and G1/S transition","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by FGFR in disease","Rho GTPase cycle","GPCR downstream signalling","SARS-CoV-1 Infection","Golgi
 Associated Vesicle Biogenesis","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type",Glycolysis,"LDL clearance","p53-Dependent G1/S
 DNA damage checkpoint","Signaling by NTRK1 (TRKA)","Transcriptional Regulation by TP53","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Ethanol oxidation","Biosynthesis of
 DHA-derived SPMs","VEGFA-VEGFR2 Pathway","Transcriptional Regulation by MECP2","Uptake and function of anthrax toxins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","C
lass A/1 (Rhodopsin-like receptors)","Drug resistance of KIT mutants","RAF/MAP kinase cascade","G1 Phase","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","
Signaling by FGFR1 in disease","RHOBTB GTPase Cycle","G1/S Transition","G alpha (q) signalling events","SARS-CoV-2 Infection","SARS-CoV-1 Genome Replication and Transcription","Mitotic Anaphase","Anti
-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"p53-Dependent G1 DNA Damage Response","Signalling to ERKs","Regulation of TP53 Activity","Biosynthesis of maresins","VEGFR2
 mediated cell proliferation","Regulation of MECP2 expression and activity","HDR through Homologous Recombination (HRR)","Amine ligand-binding receptors","Dasatinib-resistant KIT mutants","Cyclin D as
sociated events in G1","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","FGFR1 mutant receptor activation","RHOBTB3 ATPase cycle","Activation of the pre-repl
icative complex","Gastrin-CREB signalling pathway via PKC and MAPK","SARS-CoV-2 Genome Replication and Transcription","Peptide ligand-binding receptors","Replication of the SARS-CoV-1 genome","Nuclear
 Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Stabilization of p53","Signalling to RAS","Regulation of TP53 Expression and Degradation","Arom
atic amines can be N-hydroxylated or N-dealkylated by CYP1A2","FCGR3A-mediated IL10 synthesis","Biosynthesis of maresin-like SPMs","Homologous DNA Pairing and Strand Exchange","Muscarinic acetylcholin
e receptors","Regulation of TP53 Activity through Phosphorylation","Activation of AMPK downstream of NMDARs","Signaling by activated point mutants of FGFR1","EGFR Transactivation by Gastrin","Replicat
ion of the SARS-CoV-2 genome","Signaling by cytosolic FGFR1 fusion mutants","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","p38MAPK events","Regula
tion of TP53 Degradation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{STAT3}

> <broad_moa>
{"DNA replication inhibitor","STAT inhibitor"}

> <synonyms>
{50-65-7,50657,5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide,5ChloroN(2chloro4nitrophenyl)2hydroxybenzamide,Niclocide,Bayluscid,Phenasal,Tredemine,Fenasal,Yomesan,"2',5-Dichloro-4'-nitrosalic
ylanilide","2',5Dichloro4'nitrosalicylanilide",Dichlosale,Helmiantin,Atenase,Cestocid,Devermin,Devermine,Iomesan,Iomezan,T0711,N3510,1503265,Prestw-40,Niclosamide,NICLOSAMIDE,niclosamide}

> <pdid>
PD001014

> <targets>
{Antibiotic,Parasite,STAT}

> <classes>
{teniacide,anthelmintic,Anti-infection,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{4477}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

  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_L8000_Stem cell Differentiation Compound Library

> <id>
25164

> <plate>
PLATE 001

> <well>
D7

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25165

> <plate>
PLATE 001

> <well>
D8

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 15 16  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 S   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
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1017   -6.1219    0.0000 S   0  0
    4.6332   -7.5468    0.0000 C   0  0
    3.1332   -7.5416    0.0000 C   0  0
    2.6747   -6.1134    0.0000 N   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  2  0
  9  4  1  0
  2 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25166

> <plate>
PLATE 001

> <well>
D9

> <supplier_cmpd_name>
Urea

> <ctcr_id>
4608

> <supplier_cmpd_id>
T0738

> <smiles>
S=C(Nc1ccccc1)Nc2sccn2

> <pd_targets>
{KMT2A,ALDH1A1,ALD,CYP2D6,CYP3A4,CYP1A2,TGR,BLM,THPO,RAB9A,MEN1,NPC1,HTT,CYP2C19,PKM,LMNA,MAPK1,NFKB1,SMN1,NPSR1,CYP2C9,LEF,GAA,PYK,PMP22,FFP,HSD17B10,MTOR}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Unclassified protein",Transporter,"Other nuclear protein","Other cytosolic protein","Membrane receptor",Reader,Oxidoreductase,"Cytochrome P450",Hydrolase,Kinase,"Family
 A G protein-coupled receptor",Protease,Transferase,Bromodomain,"Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 1","Protein Kinase","Methyl-lysine/arginine binding protei
n","Peptide receptor (family A GPCR)","Metallo protease","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Cytochrome P450 family 2C","CMGC protein kinase group","Tu
dor domain","Short peptide receptor (family A GPCR)","Metallo protease MAE clan","Atypical protein kinase group","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 1A1","Cytochrome P450 2C19
","CMGC protein kinase MAPK family","Neuropeptide receptor","Cytochrome P450 2C9","Metallo protease M34 family","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinas
e FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Chromatin modifying enzymes","Cytochrome P450","SLC superfamily of solute carriers","2.7.1.40 Pyruvate kinases","Kinases (EC 2.7.x.x)","G protein-coupled receptors","3
.2.1.- Glycosidases","2.1.1.43 Histone methyltransferases (HMTs)","CYP2 family: drug metabolising subset","CYP3 family","CYP1 family","SLC65 NPC-type cholesterol transporters","CMGC: Containing CDK",M
APK,GSK3,"CLK families","Neuropeptide S receptor",Atypical,"Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfa
mily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"DNA Repair",Hemostasis,"Signal Transduction","Transport of small molecules","Cell Cycle","Immune System","Metabolism of RNA",Disease,"Developmental Biolo
gy","RNA Polymerase II Transcription","Biological oxidations","Metabolism of lipids","DNA Double-Strand Break Repair","Platelet activation","signaling and aggregation","Signaling by Rho GTPases","Plas
ma lipoprotein assembly",remodeling,"and clearance","Metabolism of carbohydrates",Mitotic,"Innate Immune System","Cytokine Signaling in Immune system","Metabolism of non-coding RNA","Infectious diseas
e","Diseases of metabolism","Nervous system development","Metabolism of amino acids and derivatives","Generic Transcription Pathway","Phase I - Functionalization of compounds","Biosynthesis of special
ized proresolving mediators (SPMs)","Homology Directed Repair","Platelet Aggregation (Plug Formation)","Rho GTPase cycle","Plasma lipoprotein clearance","Glucose metabolism","M Phase","Toll-like Recep
tor Cascades","Signaling by Interleukins","snRNP Assembly","Leishmania infection","Uptake and actions of bacterial toxins","Diseases of carbohydrate metabolism","EGR2 and SOX10-mediated initiation of 
Schwann cell myelination","Branched-chain amino acid catabolism","Transcriptional regulation by RUNX1","Ethanol oxidation","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived S
PMs","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","RHOBTB GTPase Cycle","LDL clearance","Transcriptional Regulation by MECP2",Glycolysis,"Mitotic Metaphase and Anaphas
e","Toll Like Receptor 5 (TLR5) Cascade","Interleukin-1 family signaling","Leishmania parasite growth and survival","Uptake and function of anthrax toxins","Glycogen storage diseases","Transcriptional
 Regulation by TP53","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function",Xenobiotics,"Biosynthesis of maresins","HDR through Homologous Recombination (HRR)","RHOBTB
3 ATPase cycle","Regulation of MECP2 expression and activity","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Interleukin-1 signaling","Anti-inflammatory response favouring Leishmania
 parasite infection","Glycogen storage disease type II (GAA)","Regulation of TP53 Activity","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylat
ed by CYP1A2","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","MAP kinase activation","MAP3K8 (TPL2)-dependent MAPK1/3 activation","ADORA2B mediated anti-inflammatory c
ytokines 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>
{1-phenyl-3-(2-thiazolyl)-2-thiourea,1phenyl3(2thiazolyl)2thiourea,14901-16-7,14901167,"Thiourea, N-phenyl-N'-2-thiazolyl-","Thiourea, NphenylN'2thiazolyl",1-Phenyl-3-(thiazol-2-yl)thiourea,1Phenyl3(t
hiazol2yl)thiourea,PHENYLTHIAZOLYLTHIOUREA,1-Phenyl-3-(2-thiazolyl)thiourea,1Phenyl3(2thiazolyl)thiourea,"1-phenyl-3-(1,3-thiazol-2-yl)thiourea","1phenyl3(1,3thiazol2yl)thiourea",Urea,1-phenyl-3-(2-th
iazo,1phenyl3(2thiazo,NSC139257,"NSC 139257","U 14624"}

> <pdid>
PD015136

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{719408}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25167

> <plate>
PLATE 001

> <well>
D10

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 20 21  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
    0.0031   -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
    1.3070   -5.2502    0.0000 C   0  0
    2.6078   -5.9988    0.0000 C   0  0
    2.6131   -7.4988    0.0000 C   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
   -2.5981   -1.5000    0.0000 O   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
  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 17  1  0
 17 18  2  0
 18 13  1  0
  7 19  1  0
  5 20  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25168

> <plate>
PLATE 001

> <well>
D11

> <supplier_cmpd_name>
Cardamonin

> <ctcr_id>
11884

> <supplier_cmpd_id>
T2994

> <smiles>
COc1cc(cc(c1C(=O)/C=C/c1ccccc1)O)O

> <pd_targets>
{NPSR1,RORC,TGR,MAPT,KMT2A,MEN1,KCNA3}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor",Enzyme,"Other cytosolic protein","Epigenetic regulator","Ion channel","Family A G protein-coupled receptor","Nuclear receptor",Reader,"Voltage-gated ion cha
nnel","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1",Bromodomain,"Potassium channels","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F"
,"Voltage-gated potassium channel","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Nuclear hormone receptors","Voltage-gated ion channels","Neuropeptide S receptor","1F. Retinoic acid-related orphans","Potassium channels","Vol
tage-gated potassium channels"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Neuronal System","Infectious disease","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Potassium Channels","Leishmania infection",
"Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","Voltage gated Potassium channels","Leishmania parasite growth and survival","Transcriptional regulati
on by RUNX3","Activation of NMDA receptors and postsynaptic events","Anti-inflammatory response favouring Leishmania parasite infection","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA
 receptor activation events","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Cardamonin,19309-14-9,19309149,CARDAMOMIN,"Alpinetin chalcone",Dihydroxymethoxychalcone,18956-16-6,18956166,"2',4'-dihydroxy-6'-methoxychalcone","2',4'dihydroxy6'methoxychalcone",UNII-H8KP1OJ8JX,UNII
H8KP1OJ8JX,"1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one","1(2,4dihydroxy6methoxyphenyl)3phenylprop2en1one",2-Propen-1-one,2Propen1one,1-(2,1(2,4-dihydroxy-6-metho,4dihydroxy6metho,T2994}

> <pdid>
PD017240

> <targets>
{hTRPA1 cation channel,Aryl Hydrocarbon Receptor,NOD-like Receptor (NLR)}

> <classes>
{Membrane transporter/Ion channel,Immunology/Inflammation}

> <pubchem_cids>
{641785}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 12 11  0  0  1  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    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
    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  2  0  0  0
    7.7999   -1.5000    0.0000 N   0  0
    9.0999    0.7500    0.0000 C   0  0
    9.0999    2.2500    0.0000 O   0  0
   10.3992    0.0004    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  1  0
  7  8  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  0
 10 12  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25169

> <plate>
PLATE 001

> <well>
E2

> <supplier_cmpd_name>
L-Theanine

> <ctcr_id>
958

> <supplier_cmpd_id>
T2800

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"glutamate receptor antagonist"}

> <synonyms>
{L-Theanine,LTheanine,Theanine,3081-61-6,3081616,Theanin,N-Ethyl-L-glutamine,NEthylLglutamine,Suntheanine,N5-Ethyl-L-glutamine,N5EthylLglutamine,"(S)-2-Amino-5-(ethylamino)-5-oxopentanoic acid","(S)2A
mino5(ethylamino)5oxopentanoic acid",n-ethylglutamine,nethylglutamine,L-gamma-Glutamylethylamide,LgammaGlutamylethylamide,N(5)-ethyl-L-glutamine,N(5)ethylLglutamine,N-gamma-Ethyl-L-glutamine,NgammaEth
ylLglutamine,UNII-8021PR16,UNII8021PR16,T2800,1505254,THEANINE}

> <pdid>
PD056224

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{439378,25201220}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 33 36  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 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
   -5.1953   -1.5031    0.0000 O   0  0
   -5.1932   -3.0039    0.0000 C   0  0  1  0  0  0
   -6.4896   -3.7585    0.0000 C   0  0  1  0  0  0
   -6.4844   -5.2585    0.0000 C   0  0  2  0  0  0
   -5.1828   -6.0040    0.0000 C   0  0  1  0  0  0
   -3.8863   -5.2495    0.0000 C   0  0  2  0  0  0
   -3.8915   -3.7495    0.0000 O   0  0
   -2.5855   -5.9981    0.0000 C   0  0
   -2.5825   -7.4981    0.0000 O   0  0
   -1.2878   -5.2459    0.0000 O   0  0
   -5.1776   -7.5040    0.0000 O   0  0
   -7.7808   -6.0130    0.0000 O   0  0
   -7.7912   -3.0131    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
 19 18  1  6
 19 20  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  6
 25 26  2  0
 25 27  1  0
 22 28  1  1
 21 29  1  6
 20 30  1  1
 13 31  1  0
 12 32  1  0
  3 33  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25170

> <plate>
PLATE 001

> <well>
E3

> <supplier_cmpd_name>
Scutellarin

> <ctcr_id>
11517

> <supplier_cmpd_id>
T2789

> <smiles>
c1cc(ccc1c1cc(=O)c2c(c(c(cc2o1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O)O)O)O

> <pd_targets>
{NA,UGT1A1,ABCC2,ABCG2,SLCO2B1,HTR7}

> <pathway_gtopdb>
{Enzyme,Transporter,"Membrane receptor",Hydrolase,Transferase,"Primary active transporter","Electrochemical transporter","Family A G protein-coupled receptor","ATP-binding cassette","SLC superfamily o
f solute carriers","Small molecule receptor (family A GPCR)","ABCC subfamily","ABCG subfamily","SLC21/SLCO family of organic anion transporting polypeptides","Monoamine receptor","Serotonin receptor"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"UDP glucuronosyltransferases (UGT)","ATP-binding cassette transporter family","SLC superfamily of solute carriers","G protein-coupled receptors","ABCC subfamily","ABCG
 subfamily","SLCO family of organic anion transporting polypeptides","5-Hydroxytryptamine receptors"}

> <pathway_reactome>
{Disease,Metabolism,"Transport of small molecules","Diseases of metabolism","Disorders of transmembrane transporters","Abacavir transport and metabolism","SLC-mediated transmembrane transport","Infect
ious disease","Metabolic disorders of biological oxidation enzymes","ABC transporter disorders","Abacavir transmembrane transport","Transport of vitamins",nucleosides,"and related molecules","Leishman
ia infection","Defective UGT1A1 causes hyperbilirubinemia","Defective ABCC2 causes DJS","Transport of organic anions","Leishmania parasite growth and survival","Anti-inflammatory response favouring Le
ishmania parasite infection","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Scutellarin,27740-01-8,27740018,Breviscapin,Scutellarein-7-glucuronide,Scutellarein7glucuronide,Breviscapine,Scutellarein-7beta-D-glucuronide,Scutellarein7betaDglucuronide,Scutellarein-7beta-D-glucur
onoside,Scutellarein7betaDglucuronoside,Scutellarein-7-O-beta-D-glucuronide,Scutellarein7ObetaDglucuronide,UNII-16IGP0ML9A,UNII16IGP0ML9A,"SCUTELLAREIN 7-O-GLUCURONIDE","SCUTELLAREIN 7OGLUCURONIDE","S
cutellarein 7-O","Scutellarein 7O",T2789,T3242}

> <pdid>
PD056398

> <targets>
{Akt,STAT}

> <classes>
{"JAK/STAT Signaling","PI3K/Akt/mTOR signaling","Stem Cells"}

> <pubchem_cids>
{185617}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25171

> <plate>
PLATE 001

> <well>
E4

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25172

> <plate>
PLATE 001

> <well>
E5

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25173

> <plate>
PLATE 001

> <well>
E6

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25174

> <plate>
PLATE 001

> <well>
E7

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25175

> <plate>
PLATE 001

> <well>
E8

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 12 12  0  0  1  0            999 V2000
    4.0097   -3.2952    0.0000 O   0  0
    3.1255   -2.0835    0.0000 C   0  0
    1.6332   -2.2426    0.0000 C   0  0
    1.0255   -3.6140    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0  1  0  0  0
    1.2135    0.3943    0.0000 O   0  0
    0.0000    1.2760    0.0000 C   0  0
    0.0000    2.7760    0.0000 O   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 O   0  0
   -2.6401    0.8578    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  5  3  1  6
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10  5  1  0
 10 11  1  0
  9 12  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25176

> <plate>
PLATE 001

> <well>
E9

> <supplier_cmpd_name>
L(+)-Ascorbic acid

> <ctcr_id>
5098

> <supplier_cmpd_id>
T0928

> <smiles>
OCC(O)[C@H]1OC(=O)C(=C1O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SR-05000001815,SR05000001815,"L-Ascorbic Acid, Free Acid","LAscorbic Acid, Free Acid",Spectrum_000170,Spectrum000170,Spectrum-000170,"Spectrum 000170",SpecPlus_000867,SpecPlus000867,SpecPlus-000867,"
SpecPlus 000867",Spectrum2_001948,Spectrum2001948,Spectrum2-001948,"Spectrum2 001948",Spectrum3_000228,Spectrum3000228,Spectrum3-000228,"Spectrum3 000228",Spectrum4_001906,Spectrum4001906,Spectrum4-00
1906,"Spectrum4 001906",Spectrum5_000592,Spectrum5000592,Spectrum5-000592,"Spectrum5 000592",BSPBio_001875,BSPBio001875,BSPBio-001875,"BSPBio 001875",KBioGR_002498,KBioGR002498,KBioGR-002498,"KBioGR 0
02498",KBioSS_000650,KBioSS000650,KBioSS-000650,"KBioSS 000650",(r)-5-(1,(r)5(1,2-dihydroxy-ethyl)-3,2dihydroxyethyl)3,4-dihydroxy-5h-furan-2,4dihydroxy5hfuran2,T0928,1502230,"L(+)-Ascorbic acid","ASC
ORBIC ACID"}

> <pdid>
PD000091

> <targets>
{}

> <classes>
{antiviral,antiscorbutic}

> <pubchem_cids>
{54676536}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

  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 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_L8000_Stem cell Differentiation Compound Library

> <id>
25177

> <plate>
PLATE 001

> <well>
E10

> <supplier_cmpd_name>
Nicotinamide

> <ctcr_id>
809

> <supplier_cmpd_id>
T0934

> <smiles>
NC(=O)c1cccnc1

> <pd_targets>
{SIRT2,SIRT1,SIRT3,HST2,PARP1,FAAH,SIRT5,SIR2RP1,SARM1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Transferase,Hydrolase,"Histone deacetylase","HDAC class III"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Poly ADP-ribose polymerases","Endocannabinoid turnover","3.5.1.- Histone deacetylases (HDACs)","<i>N</i>-Acylethanolamine turnover"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Disease,Metabolism,"Organelle biogenesis and maintenance","Immune System",Mitotic,"RNA Polymerase II Transcription","Infectious disease","Metabolism of 
lipids","Mitochondrial biogenesis","Innate Immune System","M Phase","Generic Transcription Pathway","Influenza Infection","Fatty acid metabolism","Transcriptional activation of mitochondrial biogenesi
s","Toll-like Receptor Cascades","Mitotic Metaphase and Anaphase","FOXO-mediated transcription","Influenza Viral RNA Transcription and Replication","Arachidonic acid metabolism","Toll Like Receptor 4 
(TLR4) Cascade","Mitotic Anaphase","Regulation of FOXO transcriptional activity by acetylation","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","vRNA Synthesis","MyD88
-independent TLR4 cascade","Nuclear Envelope (NE) Reassembly","TRIF(TICAM1)-mediated TLR4 signaling","Initiation of Nuclear Envelope (NE) Reformation","Activation of IRF3/IRF7 mediated by TBK1/IKK eps
ilon"}

> <broad_targets>
{BST1,LDHA,PARP1,SIRT5}

> <broad_moa>
{"protein synthesis stimulant"}

> <synonyms>
{"3 Pyridinecarboxamide",SR-01000721872,SR01000721872,"Nicotinsaureamid Jenapharm","EINECS 202-713-4","EINECS 2027134","Jenapharm, Nicotinsaureamid",nicotinamide,niacinamide,98-92-0,98920,3-Pyridineca
rboxamide,3Pyridinecarboxamide,"Nicotinic acid amide",pyridine-3-carboxamide,pyridine3carboxamide,"vitamin PP",Papulex,Ami,T0934,SAM001246860,1505397,Prestw-1449,Nicotinamide,CPD000058212,NIACINAMIDE}

> <pdid>
PD000511

> <targets>
{Endogenous Metabolite,Sirtuin}

> <classes>
{Vitamin B3,enzyme cofactor,anti-pellagra,Cell Cycle/DNA Damage,Epigenetics,Metabolic Enzyme/Protease}

> <pubchem_cids>
{936}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

  7  5  0  0  0  0            999 V2000
    7.7000    1.1254    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
    5.1992    0.0004    0.0000 O   0  0
    3.9000    2.2500    0.0000 O   0  5
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
M  CHG  2   1   1   7  -1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25178

> <plate>
PLATE 001

> <well>
E11

> <supplier_cmpd_name>
Sodium butanoate

> <ctcr_id>
11566

> <supplier_cmpd_id>
T1393

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"SODIUM BUTYRATE",156-54-7,156547,"Sodium butanoate","Butyric acid sodium salt","Butanoic acid, sodium salt","Butyrate sodium","Butyric acid, sodium salt","Sodium n-butyrate","Sodium nbutyrate","Sodi
um propanecarboxylate","Butanoic acid sodium salt",sodium;butan,T1393}

> <pdid>
PD012187

> <targets>
{"H1 receptor"}

> <classes>
{"GPCR/G Protein",Immunology/Inflammation,Neuroscience}

> <pubchem_cids>
{5222465}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25179

> <plate>
PLATE 001

> <well>
F2

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 17 18  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 N   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
   -2.5981    1.5000    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
    0.0000    3.0000    0.0000 S   0  0
    1.2810    2.2196    0.0000 O   0  0
   -0.0353    4.4996    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
  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
 10 11  1  0
 11 12  1  0
 12  7  1  0
 12 13  2  0
 12 14  2  0
  8 15  1  0
 15 16  2  0
 16  5  1  0
 16 17  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25180

> <plate>
PLATE 001

> <well>
F3

> <supplier_cmpd_name>
Hydrochlorothiazide

> <ctcr_id>
3072

> <supplier_cmpd_id>
T1449

> <smiles>
N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1Cl

> <pd_targets>
{CA14,CA4,CA13,CA7,CA5A,CA2,CA1,THRB,LMNA,CA12,1272966,CA9,CA5B,CA6,PMP22,APEX1,SLC12A3,KCNMA1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other nuclear protein","Unclassified protein",Transporter,"Ion channel",Lyase,"Nuclear receptor","Electrochemical transporter","Voltage-gated ion channel","Nuclear horm
one receptor subfamily 1","SLC superfamily of solute carriers","Potassium channels","Nuclear hormone receptor subfamily 1 group A","SLC12 family of cation-coupled chloride transporters","Calcium-activ
ated potassium channel","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Carbonic anhydrases","Nuclear hormone receptors","SLC superfamily of solute carriers","Voltage-gated ion channels","1A. Thyroid hormone receptors","SLC1
2 family of cation-coupled chloride transporters","Potassium channels","Calcium- and sodium-activated potassium channels"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Immune System","Metabolism of proteins","Cell Cycle","Cellular responses to external stimuli","Developmental Biology","DNA Repair",Disease,Hemostasis,"Rever
sible hydration of carbon dioxide","O2/CO2 exchange in erythrocytes","Cytokine Signaling in Immune system","Post-translational protein modification",Mitotic,"Cellular responses to stress","Nervous sys
tem development","Base Excision Repair","Disorders of transmembrane transporters","Platelet homeostasis","Erythrocytes take up carbon dioxide and release oxygen","Signaling by Interleukins",SUMOylatio
n,"M Phase","Cellular response to hypoxia","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Resolution of Abasic Sites (AP sites)","SLC transporter disorders","Nitric oxide stimulates
 guanylate cyclase","Interleukin-12 family signaling","SUMO E3 ligases SUMOylate target proteins","Mitotic Metaphase and Anaphase","Regulation of gene expression by Hypoxia-inducible Factor","Resoluti
on of AP sites via the multiple-nucleotide patch replacement pathway","Defective SLC12A3 causes Gitelman syndrome (GS)","cGMP effects","Interleukin-12 signaling","SUMOylation of intracellular receptor
s","Mitotic Anaphase","PCNA-Dependent Long Patch Base Excision Repair","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Nuclear Envelope (NE) Reassembly","Initiati
on of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CA1,CA12,CA2,CA4,CA9,KCNMA1,SLC12A3}

> <broad_moa>
{"thiazide diuretic"}

> <synonyms>
{hydrochlorothiazide,58-93-5,58935,HCTZ,Esidrix,Hypothiazide,Oretic,Dichlotiazid,Hidrotiazida,Hydrochlorothiazid,Hydrochlorthiazide,Hydrodiuretic,Hydrosaluric,Servithiazid,Aquarills,Aquarius,Dichlotri
de,Diclotride,Disalunil,Hypothiazid,Idrotiazide,M,T1449,SAM002554901,1500335,Prestw-9,Hydrochlorothiazide,CPD000035778,HYDROCHLOROTHIAZIDE}

> <pdid>
PD002304

> <targets>
{Potassium Channel,TGF-beta/Smad}

> <classes>
{diuretic,Membrane Transporter/Ion Channel,Stem Cell/Wnt,TGF-beta/Smad}

> <pubchem_cids>
{3639}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25181

> <plate>
PLATE 001

> <well>
F4

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25182

> <plate>
PLATE 001

> <well>
F5

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 24 24  0  0  0  0            999 V2000
   16.6971   -1.1159    0.0000 H   0  3
   14.1971   -1.1159    0.0000 Cl  0  5
    3.8964    0.7545    0.0000 C   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
   10.4007   -1.4818    0.0000 C   0  0
   11.6971   -0.7274    0.0000 C   0  0
   11.6919    0.7726    0.0000 C   0  0
   10.3903    1.5181    0.0000 C   0  0
    9.0939    0.7636    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
   -2.5981   -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
  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  8  1  0
  4 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 23  1  0
 23 24  2  0
 24 15  1  0
 24 19  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25183

> <plate>
PLATE 001

> <well>
F6

> <supplier_cmpd_name>
Naftifine hydrochloride

> <ctcr_id>
2156

> <supplier_cmpd_id>
T1543

> <smiles>
[H+].[Cl-].CN(C\C=C\c1ccccc1)Cc2cccc3ccccc23

> <pd_targets>
{SQLE,ATM,CRTN,ERG2,SIGMAR1,EBP}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Oxidoreductase,Kinase,Isomerase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Lanosterol biosynthesis pathway","Kinases (EC 2.7.x.x)","Sigma receptors",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK family 
kinases"}

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Metabolism of lipids","Cell Cycle Checkpoints","Infectious disease","Metabolism of steroids","G1/S DNA Damage Checkpoints","SARS-CoV Infections","Regulation of choles
terol biosynthesis by SREBP (SREBF)","p53-Dependent G1/S DNA damage checkpoint","Potential therapeutics for SARS","Cholesterol biosynthesis","Activation of gene expression by SREBF (SREBP)","p53-Depen
dent G1 DNA Damage Response","Cholesterol biosynthesis via desmosterol","Stabilization of p53","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{}

> <broad_moa>
{"fungal squalene epoxidase inhibitor"}

> <synonyms>
{AKOS026750142,"NAFTIFINE HYDROCHLORIDE",65473-14-5,65473145,"Naftifine HCl",Naftin,Exoderil,Naftifungin,"Naftifine (hydrochloride)","AW 105-843","AW 105843",UNII-25UR9N9041,UNII25UR9N9041,CHEBI:7452,
Naftifin,MFCD00059047,25UR9N9041,N-trans-Cinnamyl-N-m,NtransCinnamylNm,T1543,Prestw-1063,"Naftifine hydrochloride"}

> <pdid>
PD010051

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{67108133,5281098}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25184

> <plate>
PLATE 001

> <well>
F7

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25185

> <plate>
PLATE 001

> <well>
F8

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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
   -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 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.1517    0.8676    0.0000 O   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 C   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  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  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 13  2  0
 15 18  1  0
 18 19  1  0
 18 20  2  0
M  CHG  2  18   1  19  -1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25186

> <plate>
PLATE 001

> <well>
F9

> <supplier_cmpd_name>
Nifuroxazide

> <ctcr_id>
1603

> <supplier_cmpd_id>
T1563

> <smiles>
Oc1ccc(cc1)C(=O)N/N=C/c2oc(cc2)[N+]([O-])=O

> <pd_targets>
{ALDH1A1,KDM4E,KMT2A,MEN1,NPSR1,MAPT,RORC,GAA,ALD,POLB,LMNA,MITF,STAT3}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Other cytosolic protein","Transcription factor","Other nuclear protein",Oxidoreductase,Eraser,Reader,"Family A G protein-coupled receptor","Nuclear 
receptor",Hydrolase,"Lysine demethylase",Bromodomain,"Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Jumonji domain-containing","Short peptide receptor (family A GPCR)","Nuc
lear hormone receptor subfamily 1 group F","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Chromatin modifying enzymes","G protein-coupled receptors","Nuclear hormone receptors","3.2.1.- Glycosidases","Transcription factors","1.14.11.- Histone dem
ethylases","Neuropeptide S receptor","1F. Retinoic acid-related orphans","STAT transcription factors"}

> <pathway_reactome>
{Metabolism,Disease,"Neuronal System","Gene expression (Transcription)","DNA Repair","Cell Cycle","Metabolism of proteins","Biological oxidations","Infectious disease","Transmission across Chemical Sy
napses","RNA Polymerase II Transcription","Diseases of metabolism","Base Excision Repair",Mitotic,"Post-translational protein modification","Diseases of signal transduction by growth factor receptors 
and second messengers","Phase I - Functionalization of compounds","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Diseases of 
carbohydrate metabolism","Resolution of Abasic Sites (AP sites)","M Phase",SUMOylation,"Signaling by FGFR in disease","Ethanol oxidation","Leishmania parasite growth and survival","Activation of NMDA 
receptors and postsynaptic events","Transcriptional regulation by RUNX3","Glycogen storage diseases","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Mitotic Metaphase a
nd Anaphase","SUMO E3 ligases SUMOylate target proteins","Signaling by FGFR1 in disease","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","RU
NX3 Regulates Immune Response and Cell Migration","Glycogen storage disease type II (GAA)","PCNA-Dependent Long Patch Base Excision Repair","Mitotic Anaphase","SUMOylation of transcription factors","F
GFR1 mutant receptor activation","ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Signaling by cytosolic FGFR1 fu
sion mutants","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA inhibitor"}

> <synonyms>
{RESTW55,H868,Nifuroxazide,965-52-6,965526,UNII-PM5LI0P38J,UNIIPM5LI0P38J,Dicoferin,Nifuroxazid,PM5LI0P38J,MLS000069620,Diarlidan,Ercefuryl,"BENZOIC ACID, p-HYDROXY-, (5-NITROFURFURYLIDENE)HYDRAZIDE",
"BENZOIC ACID, pHYDROXY, (5NITROFURFURYLIDENE)HYDRAZIDE",Nifuroxazide-d4,Nifuroxazided4,Nifuroxazida,Nifuroxazidum,4-hydroxy-N-((E)-(5-nitro-2-fury,4hydroxyN((E)(5nitro2fury,T1563,Prestw-555}

> <pdid>
PD000270

> <targets>
{STAT}

> <classes>
{}

> <pubchem_cids>
{5337997}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25187

> <plate>
PLATE 001

> <well>
F10

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25188

> <plate>
PLATE 001

> <well>
F11

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 29 33  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
   -2.7248    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
  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 24  1  0
 28 29  2  0
 29 21  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25189

> <plate>
PLATE 001

> <well>
G2

> <supplier_cmpd_name>
SB 431542

> <ctcr_id>
284

> <supplier_cmpd_id>
T1726

> <smiles>
NC(=O)c1ccc(cc1)c2[nH]c(c3ccccn3)c(n2)c4ccc5OCOc5c4

> <pd_targets>
{CYP1A2,TGFBR1,RIPK2,ALDH1A1,ACVR1B,CSNK1E,PRKD3,CYP2C19,IMPA1,CYP2D6,MAPK14,CYP3A4,CSNK1D,CSNK1A1L,MAPK1,KDM4E,LEF,MAPT,HPGD,HSD17B10,CSNK1A1,RPS6KA1,TGFBR2,ACVR1C}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein","Cytochrome P450",Kinase,Oxidoreductase,Hydrolase,Eraser,Protease,"Cytochrome P450 family 1","Protein Kinase","Cytochrome P450 family 2","Cytoc
hrome P450 family 3","Lysine demethylase","Metallo protease","Cytochrome P450 family 1A","TKL protein kinase group","CK1 protein kinase group","CAMK protein kinase group","Cytochrome P450 family 2C","
Cytochrome P450 family 2D","CMGC protein kinase group","Cytochrome P450 family 3A","Jumonji domain-containing","Metallo protease MAE clan","AGC protein kinase group","Cytochrome P450 1A1","TKL protein
 kinase STKR family","TKL protein kinase RIPK family","CK1 protein kinase CK1 family","CAMK protein kinase PKD family","Cytochrome P450 2C19","Cytochrome P450 2D6","CMGC protein kinase MAPK family","C
ytochrome P450 3A4","Metallo protease M34 family","AGC protein kinase RSK family","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase p38 subfamily","CK1 protein kinase CK1-a","CMGC protei
n kinase ERK1","AGC protein kinase RSK subfamily","TKL protein kinase STKR Type 2 subfamily","TKL protein kinase STKR1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Catalytic receptors","Kinases (EC 2.7.x.x)","Inositol phosphate turnover","Chromatin modifying enzymes","Eicosanoid turnover","CYP1 family","Receptor kinases","CK
1: Casein kinase 1","CAMK: Calcium/calmodulin-dependent protein kinases","CYP2 family: drug metabolising subset","Inositol monophosphatase","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family
","1.14.11.- Histone demethylases","Prostaglandin synthases","AGC: Containing PKA",PKG,"PKC families","TKL: Tyrosine kinase-like","Casein kinase 1 (CK1) family","Protein kinase D (PKD) family","Mitoge
n-activated protein kinases (MAP kinases)","RSK family","Receptor serine/threonine kinase (RSTK) family","Receptor interacting protein kinase (RIPK) family","p38 subfamily","ERK subfamily","RSK subfam
ily","Type I receptor serine/threonine kinases","Type II receptor serine/threonine kinases"}

> <pathway_reactome>
{Metabolism,Disease,"Immune System","Developmental Biology","Cell Cycle","Neuronal System","Biological oxidations","Diseases of signal transduction by growth factor receptors and second messengers","I
nnate Immune System","Signaling by NODAL",Mitotic,"Metabolism of lipids","Inositol phosphate metabolism","Infectious disease","Transmission across Chemical Synapses","Metabolism of amino acids and der
ivatives","Phase I - Functionalization of compounds","Signaling by TGF-beta Receptor Complex in Cancer","Toll-like Receptor Cascades","Regulation of signaling by NODAL","Mitotic G2-G2/M phases","Sphin
golipid metabolism","Synthesis of IP2",IP,"and Ins in the cytosol","Biosynthesis of specialized proresolving mediators (SPMs)","Uptake and actions of bacterial toxins","Neurotransmitter receptors and 
postsynaptic signal transmission","Branched-chain amino acid catabolism","Signaling by WNT in cancer","Cytochrome P450 - arranged by substrate type","Loss of Function of SMAD2/3 in Cancer","Toll Like 
Receptor 5 (TLR5) Cascade","Ethanol oxidation","G2/M Transition","Sphingolipid de novo biosynthesis","Biosynthesis of DHA-derived SPMs","Uptake and function of anthrax toxins","Activation of NMDA rece
ptors and postsynaptic events","Signaling by AMER1 mutants",Xenobiotics,"SMAD2/3 Phosphorylation Motif Mutants in Cancer","MyD88 cascade initiated on plasma membrane","Centrosome maturation","Biosynth
esis of maresins","Post NMDA receptor activation events","Biosynthesis of D-series resolvins","Truncations of AMER1 destabilize the destruction complex","Aromatic amines can be N-hydroxylated or N-dea
lkylated by CYP1A2","MAP kinase activation","Loss of proteins required for interphase microtubule organization from the centrosome","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Activation o
f AMPK downstream of NMDARs","activated TAK1 mediates p38 MAPK activation","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family 
of transcription factors","ERK/MAPK targets","CREB phosphorylation","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{301836-41-9,301836419,SB-431542,SB431542,"SB 431542","4-(4-(benzo(d)(1,3)dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide","4(4(benzo(d)(1,3)dioxol5yl)5(pyridin2yl)1Himidazol2yl)benzamide",UN
II-E1557V1V0N,UNIIE1557V1V0N,"4-(4-(1,3-BENZODIOXOL-5-YL)-5-(2-PYRIDINYL)-1H-IMIDAZOL-2-YL)BENZAMIDE","4(4(1,3BENZODIOXOL5YL)5(2PYRIDINYL)1HIMIDAZOL2YL)BENZAMIDE","SB 431542 hydrate",CHEMBL440084,T172
6,S1067,1614}

> <pdid>
PD003368

> <targets>
{TGF-beta,"TGF-beta Inhibitors",TGFbR1}

> <classes>
{}

> <pubchem_cids>
{4521392}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25190

> <plate>
PLATE 001

> <well>
G3

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25191

> <plate>
PLATE 001

> <well>
G4

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 36 37  0  0  1  0            999 V2000
    2.5923    1.5001    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0  2  0  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 N   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  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 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
    7.7980   -1.4850    0.0000 C   0  0
    9.0957   -0.7328    0.0000 O   0  0
    7.8010   -2.9858    0.0000 C   0  0
    9.1018   -3.7344    0.0000 C   0  0
   10.4019   -4.4826    0.0000 N   0  0
   14.2026   -0.7458    0.0000 O   0  0
   14.2026   -2.2458    0.0000 C   0  0
   12.9033   -2.9954    0.0000 O   0  0
   15.5026   -2.9958    0.0000 C   0  0
   16.8026   -2.2458    0.0000 C   0  0
   18.1011   -2.9966    0.0000 O   0  0
   16.8040   -0.7450    0.0000 C   0  0
   18.1040    0.0050    0.0000 C   0  0
   19.4026   -0.7458    0.0000 O   0  0
   18.1054    1.5050    0.0000 O   0  0
   16.8038   -3.7758    0.0000 C   0  0
   15.5051   -4.5264    0.0000 O   0  0
   18.1029   -4.5256    0.0000 O   0  0
  2  1  1  6
  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  6
  8  9  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
 17 18  1  0
 18 10  1  0
 18 14  2  0
  5 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  3  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 28 34  1  0
 34 35  1  0
 34 36  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25192

> <plate>
PLATE 001

> <well>
G5

> <supplier_cmpd_name>
Tofacitinib Citrate

> <ctcr_id>
7436

> <supplier_cmpd_id>
T2398

> <smiles>
C[C@@H]1CCN(C[C@@H]1N(C)c2ncnc3[nH]ccc23)C(=O)CC#N.OC(=O)CC(O)(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Tofacitinib citrate",540737-29-9,540737299,"Tasocitinib citrate",Xeljanz,"Tofacitinib (citrate)","Tofacitinib (CP-690550) Citrate","Tofacitinib (CP690550) Citrate","CP-690550 citrate","CP690550 citr
ate",UNII-O1FF4DIV0D,UNIIO1FF4DIV0D,"540737-29-9 (citrate)","540737299 (citrate)","CP 690550 citrate",O1FF4DIV0D,"CP-690,550-10","CP690,55010",CHEBI:71197,CP-69055,CP69055,T2398,S5001,"Tofacitinib Cit
rate"}

> <pdid>

> <targets>
{JAK,Apoptosis,Bacterial,Fungal,Influenza Virus}

> <classes>
{Anti-infection,Apoptosis,Epigenetics,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{10174505}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25193

> <plate>
PLATE 001

> <well>
G6

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 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
   -2.5981   -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 N   0  0
   -2.5981   -3.0008    0.0000 C   0  0
   -1.3859   -3.8625    0.0000 C   0  0
   -1.8517   -5.2884    0.0000 N   0  0
   -3.3517   -5.2860    0.0000 N   0  0
   -3.8130   -3.8587    0.0000 C   0  0
    0.0394   -3.3926    0.0000 C   0  0
    0.4581   -1.9577    0.0000 C   0  0
    1.9155   -1.6025    0.0000 C   0  0
    2.9517   -2.6871    0.0000 C   0  0
    2.5306   -4.1267    0.0000 C   0  0
    1.0732   -4.4819    0.0000 N   0  0
    3.5668   -5.2113    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  4  1  0
  7 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 11  2  0
 12 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
 20 22  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25194

> <plate>
PLATE 001

> <well>
G7

> <supplier_cmpd_name>
A77-01

> <ctcr_id>
11885

> <supplier_cmpd_id>
T2098

> <smiles>
c1ccc2c(c1)c(ccn2)c1c(n[nH]c1)c1cccc(n1)C

> <pd_targets>
{TGFBR1,MAPK14}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","CMGC protein kinase group","TKL protein kinase STKR family","CMGC protein kinase MAPK family","TKL protein kinase STKR Type 1 subfamily","CM
GC protein kinase p38 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TKL: Tyrosine kinase-like","Mitogen-activated protein kinases (MAP k
inases)","Receptor serine/threonine kinase (RSTK) family","p38 subfamily","Type I receptor serine/threonine kinases"}

> <pathway_reactome>
{Disease,"Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","Signaling by TGF-beta Receptor Complex in Cancer","Toll-like Recepto
r Cascades","Loss of Function of SMAD2/3 in Cancer","Toll Like Receptor 5 (TLR5) Cascade","SMAD2/3 Phosphorylation Motif Mutants in Cancer","MyD88 cascade initiated on plasma membrane","MAP kinase act
ivation","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{770,607737-87-1,607737871,"A 77-01","A 7701",4-(3-(6-Methyl-2-pyridinyl)-1H-pyrazol-4-yl)-quinoline,4(3(6Methyl2pyridinyl)1Hpyrazol4yl)quinoline,A77-01,A7701,4-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-
yl)quinoline,4(3(6Methylpyridin2yl)1Hpyrazol4yl)quinoline,CHEMBL129677,C18H14N4,4-(5-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)quinoline,4(5(6methylpyridin2yl)1Hpyrazol4yl)quinoline,4-(3-(6-methylpyridin
-2-yl)-1H-pyr,4(3(6methylpyridin2yl)1Hpyr,T2098}

> <pdid>
PD012172

> <targets>
{ALK5}

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

> <pubchem_cids>
{10469233}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25195

> <plate>
PLATE 001

> <well>
G8

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25196

> <plate>
PLATE 001

> <well>
G9

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 31 33  0  0  0  0            999 V2000
    9.9949    2.8884    0.0000 C   0  0
    9.3803    1.5201    0.0000 C   0  0
    7.8873    1.3671    0.0000 S   0  0
    7.0092    2.5832    0.0000 O   0  0
    8.5012    2.7357    0.0000 O   0  0
    7.2749    0.0036    0.0000 N   0  0
    5.8727   -0.5294    0.0000 C   0  0
    6.4440   -1.8462    0.0000 C   0  0
    7.3224   -3.0632    0.0000 C   0  0
    8.8156   -2.9119    0.0000 C   0  0
   10.3080   -2.7606    0.0000 N   0  0
    7.8079   -1.3985    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
   12.8095   -0.9528    0.0000 O   0  0
   14.1088   -0.2033    0.0000 P   0  0
   15.4080   -0.9528    0.0000 O   0  0
   14.1088    1.2967    0.0000 O   0  0
   14.1088   -1.7033    0.0000 O   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  1  0
  8  9  1  0
  9 10  1  0
 10 11  3  0
  8 12  1  0
 12  6  1  0
  8 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 13  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
 26 18  1  0
 26 22  2  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 28 31  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25197

> <plate>
PLATE 001

> <well>
G10

> <supplier_cmpd_name>
Baricitinib Phosphate

> <ctcr_id>
202

> <supplier_cmpd_id>
T2360

> <smiles>
CCS(=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3ncnc4[nH]ccc34.OP(=O)(O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NCB424ANALOGU,"Baricitinib phosphate",1187595-84-1,1187595841,"Baricitinib (phosphate)","Baricitinib phosphate salt","1187595-84-1 (phosphate)","1187595841 (phosphate)",UNII-XIB47S8NNB,UNIIXIB47S8NNB
,XIB47S8NNB,INCB-28050,INCB28050,SCHEMBL871037,DTXSID30657980,SYN1117,C16H17N7O2S.H3PO4,BCP15527,HY-1531,HY1531,T2360,SY-INCB424-Analogue,Baricitinib Phosphate,INCB424-Analogue}

> <pdid>

> <targets>
{JAK,JAK2,JAK1}

> <classes>
{}

> <pubchem_cids>
{44231848}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25198

> <plate>
PLATE 001

> <well>
G11

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25199

> <plate>
PLATE 001

> <well>
H2

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 36 40  0  0  0  0            999 V2000
    6.4540  -12.7606    0.0000 C   0  0
    5.1560  -12.0088    0.0000 N   0  0
    3.8547  -12.7565    0.0000 C   0  0
    2.5560  -12.0043    0.0000 C   0  0
    1.2544  -12.7497    0.0000 C   0  0
   -0.0421  -11.9952    0.0000 C   0  0
   -0.0368  -10.4952    0.0000 C   0  0
   -1.3333   -9.7407    0.0000 C   0  0
    1.2648   -9.7497    0.0000 C   0  0
    1.2731   -8.2489    0.0000 N   0  0
    2.5765   -7.5048    0.0000 C   0  0
    3.8716   -8.2615    0.0000 O   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
    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
    0.0000    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
   -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
    1.2883   -5.2495    0.0000 C   0  0
    2.5612  -10.5043    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  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  1  0
 18 19  2  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
 20 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 18  1  0
 16 34  1  0
 34 35  2  0
 35 13  1  0
  9 36  2  0
 36  4  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25200

> <plate>
PLATE 001

> <well>
H3

> <supplier_cmpd_name>
BMS-833923

> <ctcr_id>
6097

> <supplier_cmpd_id>
T2299

> <smiles>
CNCc1ccc(C)c(NC(=O)c2ccc(Nc3nc(c4ccccc4)c5ccccc5n3)cc2)c1

> <pd_targets>
{SMO}

> <pathway_gtopdb>
{"Membrane receptor","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","Cilium Assembly","Cargo trafficking to the periciliary membrane","BBSome-mediated cargo-targeting to cilium"}

> <broad_targets>
{SMO}

> <broad_moa>
{"smoothened receptor antagonist"}

> <synonyms>
{MS83392,BMS-833923,BMS833923,1059734-66-5,1059734665,"BMS 833923",XL139,"XL 139",XL-139,UNII-41J7ZJ239R,UNII41J7ZJ239R,"BMS-833923 (XL-139)","BMS833923 (XL139)",41J7ZJ239R,C30H27N5O,"BMS-833923 free 
base anhydrous","BMS833923 free base anhydrous","XL139 mesylate",GTPL8202,SCHEMBL4138073,CHEMBL3545403,EX-A789,EXA789,HMS3653O09,AOB87352,T2299,S7138}

> <pdid>
PD010603

> <targets>
{Hedgehog/Smoothened,Apoptosis,Smo}

> <classes>
{GPCR & G Protein,Apoptosis,Stem Cell/Wnt}

> <pubchem_cids>
{57662985}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 25 28  0  0  0  0            999 V2000
    3.9015    0.7475    0.0000 F   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
    3.8919   -5.2525    0.0000 Cl  0  0
    2.5965   -3.0004    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 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 N   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 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 N   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
  5  7  1  0
  7  8  2  0
  8  2  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
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 11 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  9  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25201

> <plate>
PLATE 001

> <well>
H4

> <supplier_cmpd_name>
SD-208

> <ctcr_id>
757

> <supplier_cmpd_id>
T2109

> <smiles>
Fc1ccc(Cl)cc1c2nc(Nc3ccncc3)c4nccnc4n2

> <pd_targets>
{TGFBR1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","TKL protein kinase STKR family","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>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by TGF-beta Receptor Complex in Cancer","Loss of Function of SMAD2/3 in Cancer","SMAD2/3 Phosphor
ylation Motif Mutants in Cancer"}

> <broad_targets>
{TGFBR1}

> <broad_moa>
{"TGF beta receptor inhibitor"}

> <synonyms>
{SD-208,SD208,627536-09-8,627536098,"SD 208",2-(5-chloro-2-fluorophenyl)-N-(pyridin-4-yl)pteridin-4-amine,2(5chloro2fluorophenyl)N(pyridin4yl)pteridin4amine,2-(5-chloro-2-fluorophenyl)-N-pyridin-4-ylp
teridin-4-amine,2(5chloro2fluorophenyl)Npyridin4ylpteridin4amine,CHEMBL238125,MFCD11519969,2-(5-Chloro-2-fluorophenyl)pteridin-4-yl)pyridin-4-yl-amine,2(5Chloro2fluorophenyl)pteridin4yl)pyridin4ylamin
e,ALK5,T2109,3269}

> <pdid>
PD012771

> <targets>
{"TGF-beta Receptors","TGFbeta R1",TGFbR1,"TGF-² Receptor"}

> <classes>
{TGF-beta/Smad}

> <pubchem_cids>
{10316032}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25202

> <plate>
PLATE 001

> <well>
H5

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 27 30  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
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.4133    1.7530    0.0000 C   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
   -2.6838    4.3363    0.0000 N   0  0
   -4.1756    4.1795    0.0000 C   0  0
   -4.7857    2.8092    0.0000 N   0  0
   -3.9040    1.5956    0.0000 C   0  0
   -4.5167    0.2256    0.0000 N   0  0
   -6.0094    0.0702    0.0000 C   0  0
   -6.6221   -1.2999    0.0000 C   0  0
   -8.1149   -1.4552    0.0000 C   0  0
   -8.7276   -2.8253    0.0000 N   0  0
  -10.2193   -2.9828    0.0000 C   0  0
  -10.8289   -4.3533    0.0000 C   0  0
   -9.9467   -5.5665    0.0000 C   0  0
   -8.4550   -5.4091    0.0000 C   0  0
   -7.8455   -4.0386    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
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13  7  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 11  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 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25203

> <plate>
PLATE 001

> <well>
H6

> <supplier_cmpd_name>
UM729

> <ctcr_id>
11712

> <supplier_cmpd_id>
T1964

> <smiles>
COC(=O)c1cc2c(cc1)c1c([nH]2)ncnc1NCCCN1CCCCC1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{UM729,1448723-60-1,1448723601,UM-729,"UM 729","UM 729(Discontinued Product)",SCHEMBL15146257,LUM-729,LUM729,BCP23714,ZINC205794939,CCG-268255,CCG268255,CS-3152,CS3152,NCGC00389579-02,NCGC0038957902,A
C-32879,AC32879,HY-15972,HY15972,S7510,T1964}

> <pdid>
PD017442

> <targets>
{AhR}

> <classes>
{Metabolism}

> <pubchem_cids>
{71714933}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 26 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
   -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
    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
    1.2954    5.2529    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    2.5981    3.0050    0.0000 N   0  0
   -2.6035    5.9971    0.0000 C   0  0
   -3.9026    5.2472    0.0000 C   0  0
   -5.2017    5.9972    0.0000 C   0  0
   -5.2017    7.4972    0.0000 C   0  0
   -3.9026    8.2472    0.0000 C   0  0
   -3.9027    9.7472    0.0000 O   0  0
   -2.6036    7.4972    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
 11 12  1  0
  5 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
 15 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_L8000_Stem cell Differentiation Compound Library

> <id>
25204

> <plate>
PLATE 001

> <well>
H7

> <supplier_cmpd_name>
K 02288

> <ctcr_id>
7932

> <supplier_cmpd_id>
T1914

> <smiles>
COc1cc(cc(OC)c1OC)c2cc(cnc2N)c3cccc(O)c3

> <pd_targets>
{ACVR1,TGFBR1,ACVR1B,BMPR1A,ACVRL1}

> <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>
{Disease,"Developmental Biology","Signal Transduction","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by NODAL","Signaling by TGFB family members","Signa
ling by TGF-beta Receptor Complex in Cancer","Regulation of signaling by NODAL","Signaling by BMP","Loss of Function of SMAD2/3 in Cancer","SMAD2/3 Phosphorylation Motif Mutants in Cancer"}

> <broad_targets>
{BMP1}

> <broad_moa>
{"bone morphogenic protein inhibitor"}

> <synonyms>
{43198592,1431985-92-0,1431985920,K02288,"K 02288","3-(6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl)phenol","3(6amino5(3,4,5trimethoxyphenyl)pyridin3yl)phenol","3-(6-Amino-5-(3,4,5-Trimethoxyphenyl)
pyridin-3-Yl)phenol","3(6Amino5(3,4,5Trimethoxyphenyl)pyridin3Yl)phenol",K-02288,A3F,CHEMBL1230714,SCHEMBL16026073,AOB4291,SYN5187,BDBM102619,HMS3653M16,K02288a,BCP099,T1914,S7359}

> <pdid>
PD010338

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{46173038}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 29 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
   -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
    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
   -0.0103    7.5017    0.0000 C   0  0
   -1.3123    8.2482    0.0000 C   0  0
   -2.6088    7.4938    0.0000 O   0  0
   -1.3178    9.7490    0.0000 N   0  0
   -2.6198   10.4955    0.0000 C   0  0
   -2.6274   11.9955    0.0000 C   0  0
   -3.9302   12.7389    0.0000 C   0  0
   -5.2255   11.9824    0.0000 C   0  0
   -5.2179   10.4824    0.0000 C   0  0
   -3.9151    9.7390    0.0000 C   0  0
   -6.5289   12.7262    0.0000 C   0  0
   -6.5390   14.2262    0.0000 C   0  0
   -7.8430   14.9675    0.0000 C   0  0
   -9.1370   14.2089    0.0000 C   0  0
   -9.1271   12.7090    0.0000 N   0  0
   -7.8231   11.9676    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  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  4  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
 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
 19 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  2  0
 29  8  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25205

> <plate>
PLATE 001

> <well>
H8

> <supplier_cmpd_name>
Wnt-C59

> <ctcr_id>
2229

> <supplier_cmpd_id>
T2242

> <smiles>
Cc1cc(ccn1)c2ccc(CC(=O)Nc3ccc(cc3)c4cccnc4)cc2

> <pd_targets>
{PORCN}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Membrane bound O-acyltransferases"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by WNT in cancer","LGK974 inhibits PORCN"}

> <broad_targets>
{PORCN}

> <broad_moa>
{"porcupine inhibitor"}

> <synonyms>
{"NTC59 (C59",Wnt-C59,WntC59,1243243-89-1,1243243891,2-(4-(2-methylpyridin-4-yl)phenyl)-N-(4-(pyridin-3-yl)phenyl)acetamide,2(4(2methylpyridin4yl)phenyl)N(4(pyridin3yl)phenyl)acetamide,"Wnt-C59 (C59)"
,"WntC59 (C59)",CHEMBL2139947,C25H21N3O,4-(2-Methyl-4-pyridinyl)-N-(4-(3-pyridinyl)phenyl)benzeneacetamide,4(2Methyl4pyridinyl)N(4(3pyridinyl)phenyl)benzeneacetamide,2-(4-(2-methylpyridin-4-yl)phenyl)
-N-(4-,2(4(2methylpyridin4yl)phenyl)N(4,T2242,S7037}

> <pdid>
PD010644

> <targets>
{Wnt/beta-catenin}

> <classes>
{"Stem Cells & Wnt"}

> <pubchem_cids>
{57519544}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 23 25  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 O   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Br  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
 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
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25206

> <plate>
PLATE 001

> <well>
H9

> <supplier_cmpd_name>
WHI-P154

> <ctcr_id>
1254

> <supplier_cmpd_id>
T1985

> <smiles>
COc1cc2ncnc(Nc3ccc(O)c(Br)c3)c2cc1OC

> <pd_targets>
{EGFR,JAK1,JAK3,JAK2,ABCG2,ABCB1}

> <pathway_gtopdb>
{Enzyme,Transporter,Kinase,"Primary active transporter","Protein Kinase","ATP-binding cassette","TK protein kinase group","ABCG subfamily","ABCB subfamily","Tyrosine protein kinase EGFR family","Tyros
ine protein kinase JakA family"}

> <pathway_chembl>
{Receptors,Transporters,"Catalytic receptors","ATP-binding cassette transporter family","Receptor kinases","ABCG subfamily","ABCB subfamily","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","N
on-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Cell Cycle",Metabolism,"Signaling by GPCR","Cytokine Signaling in Immune system",Mitotic,"Abacavir transport and metabolism","GPCR downstream signalling","Inter
feron Signaling","Signaling by Interleukins","Mitotic G1 phase and G1/S transition","Abacavir transmembrane transport","G alpha (q) signalling events","Antiviral mechanism by IFN-stimulated genes","In
terleukin-2 family signaling","G1 Phase","Gastrin-CREB signalling pathway via PKC and MAPK","ISG15 antiviral mechanism","Interleukin-15 signaling","Cyclin D associated events in G1","EGFR Transactivat
ion by Gastrin"}

> <broad_targets>
{EGFR,JAK1,JAK2,JAK3}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{HIP15,WHI-P154,WHIP154,211555-04-3,211555043,"WHI-P 154","WHIP 154","jak3 inhibitor ii","2-Bromo-4-((6,7-dimethoxyquinazolin-4-yl)amino)phenol","2Bromo4((6,7dimethoxyquinazolin4yl)amino)phenol","2-br
omo-4-((6,7-dimethoxyquinazolin-4-yl)amino)phenol","2bromo4((6,7dimethoxyquinazolin4yl)amino)phenol","2-Bromo-4-((6,7-dimethoxy-4-quinazolinyl)amino)phenol","2Bromo4((6,7dimethoxy4quinazolinyl)amino)p
henol",C16H14BrN3O3,CHEMBL473773,T1985,"EMD 420104",S2867,420104}

> <pdid>
PD010538

> <targets>
{JAK,EGFR}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{3795}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 31 34  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
   -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
   -3.8971   -0.7500    0.0000 O   0  0
    0.0174   -4.4691    0.0000 C   0  0
   -2.6153   -4.4693    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
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5002    3.7446    0.0000 C   0  0
   -6.5050    5.2446    0.0000 C   0  0
   -7.8065    5.9905    0.0000 C   0  0
   -9.1031    5.2364    0.0000 C   0  0
   -9.0983    3.7364    0.0000 C   0  0
   -7.7969    2.9905    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 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
 10 11  2  0
  8 12  1  0
  8 13  1  0
  4 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
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
  3 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
  2 31  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25207

> <plate>
PLATE 001

> <well>
H10

> <supplier_cmpd_name>
ITD-1

> <ctcr_id>
11886

> <supplier_cmpd_id>
T2273

> <smiles>
N1C(=C(C(C2=C1CC(CC2=O)(C)C)c1ccc(cc1)c1ccccc1)C(=O)OCC)C

> <pd_targets>
{TGFBR2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","TKL protein kinase STKR family","TKL protein kinase STKR Type 2 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TKL: Tyrosine kinase-like","Receptor serine/threonine kinase (RSTK) family","Type II receptor serine/threonine kinases"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by TGF-beta Receptor Complex in Cancer","Loss of Function of SMAD2/3 in Cancer","SMAD2/3 Phosphor
ylation Motif Mutants in Cancer"}

> <broad_targets>
{TGFBR2}

> <broad_moa>
{"TGF beta receptor inhibitor"}

> <synonyms>
{TD,ITD-1,ITD1,1099644-42-4,1099644424,"ITD 1",1409968-46-2,1409968462,(+)-ITD-1,(+)ITD1,SCHEMBL3239096,AOB6123,EX-A551,EXA551,BCP15865,BCP29917,MFCD28133391,s6713,AKOS024458480,CS-4939,CS4939,"ITD-1,
 (+)-","ITD1, (+)",NCGC00347947-01,NCGC0034794701,NCGC00347947-06,NCGC0034794706,AC-31410,AC31410,AK546995,AS-16936,AS16936,DA-47883,DA47883,HY-12704,HY12704,FT-0748096,FT0748096,J3,T2273}

> <pdid>
PD012819

> <targets>
{TGF¦Â,TGF-² Receptor}

> <classes>
{Stem Cells,TGF-beta/Smad}

> <pubchem_cids>
{44135961}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25208

> <plate>
PLATE 001

> <well>
H11

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25209

> <plate>
PLATE 002

> <well>
A2

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25210

> <plate>
PLATE 002

> <well>
A3

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 23 25  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
   -2.6931   -6.3225    0.0000 O   0  0
   -3.6915   -7.4420    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 C   0  0
    2.3032   -3.9893    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
    1.2449   -5.8157    0.0000 C   0  0
    2.2478   -4.6992    0.0000 O   0  0
    3.7156   -5.0084    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  1  0
  6  7  1  0
  5  8  2  0
  8  9  1  0
  9 10  2  3
 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 10  1  0
 19 14  1  0
  8 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23  3  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25211

> <plate>
PLATE 002

> <well>
A4

> <supplier_cmpd_name>
IC261

> <ctcr_id>
4966

> <supplier_cmpd_id>
T2440

> <smiles>
COc1cc(OC)c(C=C2C(=O)Nc3ccccc23)c(OC)c1

> <pd_targets>
{LMNA,PMP22,THPO,CSNK1D,FTL,CYP2C19,NFO,LEF,BLM,HPGD,HIF1A,ALDH1A1,CYP2C9,CSNK1E,CHRM1,CYP3A4,CSNK1A1,MAPT,TP53,GMNN,CYP1A2,MAPK1}

> <pathway_gtopdb>
{"Other nuclear protein","Unclassified protein",Enzyme,"Transcription factor","Membrane receptor","Other cytosolic protein",Kinase,"Cytochrome P450",Hydrolase,Protease,Oxidoreductase,"Family A G prote
in-coupled receptor","Protein Kinase","Cytochrome P450 family 2","Metallo protease","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 1","CK1 protein kinase 
group","Cytochrome P450 family 2C","Metallo protease MAE clan","Monoamine receptor","Cytochrome P450 family 3A","Cytochrome P450 family 1A","CMGC protein kinase group","CK1 protein kinase CK1 family",
"Cytochrome P450 2C19","Metallo protease M34 family","Cytochrome P450 2C9","Acetylcholine receptor","Cytochrome P450 3A4","Cytochrome P450 1A1","CMGC protein kinase MAPK family","CMGC protein kinase E
RK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Cytochrome P450","Eicosanoid turnover","G protein-coupled receptors","CK1: Casein kinase 1","CYP2 family: drug metabolising subset","Prostaglandin synthases"
,"Acetylcholine receptors (muscarinic)","CYP3 family","CYP1 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Casein kinase 1 (CK1) family","Mitogen-activated protein kinases (MAP kinases)","ER
K subfamily"}

> <pathway_reactome>
{"Cell Cycle","Developmental Biology",Hemostasis,"Vesicle-mediated transport",Metabolism,Disease,"DNA Repair","Cellular responses to external stimuli","Signal Transduction","Neuronal System","Immune S
ystem",Mitotic,"Nervous system development","Platelet activation","signaling and aggregation","Membrane Trafficking","Biological oxidations","Infectious disease","DNA Double-Strand Break Repair","Meta
bolism of lipids","Cellular responses to stress","Signaling by GPCR","Diseases of signal transduction by growth factor receptors and second messengers","Transmission across Chemical Synapses","Cell Cy
cle Checkpoints","Innate Immune System","M Phase","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Platelet Aggregation (Plug Formation)","Mitotic G2-G2/M phases","trans-Golgi Network
 Vesicle Budding","Phase I - Functionalization of compounds","Uptake and actions of bacterial toxins","Homology Directed Repair","Biosynthesis of specialized proresolving mediators (SPMs)","Cellular r
esponse to hypoxia","GPCR ligand binding","Signaling by WNT in cancer","Neurotransmitter receptors and postsynaptic signal transmission","G1/S DNA Damage Checkpoints","Mitotic G1 phase and G1/S transi
tion","Toll-like Receptor Cascades","Mitotic Metaphase and Anaphase","G2/M Transition","Golgi Associated Vesicle Biogenesis","Cytochrome P450 - arranged by substrate type","Uptake and function of anth
rax toxins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha",
"Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Signaling by AMER1 mutants","Activation of NMDA receptors and postsynaptic events","p53-Dependent G1/S DNA damage checkpoint","G1/S Transiti
on","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Anaphase","Centrosome maturation",Xenobiotics,"HDR through Homologous Recombination (HRR)","Biosynthesis of D-series resolvins","Amine ligand-binding
 receptors","Biosynthesis of maresins","Truncations of AMER1 destabilize the destruction complex","Post NMDA receptor activation events","p53-Dependent G1 DNA Damage Response","Activation of the pre-r
eplicative complex","MyD88 cascade initiated on plasma membrane","Nuclear Envelope (NE) Reassembly","Loss of proteins required for interphase microtubule organization from the centrosome","CYP2E1 reac
tions","Homologous DNA Pairing and Strand Exchange","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","Stabilization of p53","Aromatic 
amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP kinase activation","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from mitotic centrosomes","Presynaptic phase of homologo
us DNA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CSNK1A1,CSNK1D,CSNK1E,CSNK1G2}

> <broad_moa>
{"casein kinase inhibitor"}

> <synonyms>
{8661152,186611-52-9,186611529,"3-((2,4,6-trimethoxyphenyl)methylidene)-1H-indol-2-one","3((2,4,6trimethoxyphenyl)methylidene)1Hindol2one",IC-261,IC261,SU5607,"(E)-3-(2,4,6-trimethoxybenzylidene)indol
in-2-one","(E)3(2,4,6trimethoxybenzylidene)indolin2one","1,3-Dihydro-3-((2,4,6-trimethoxyphenyl)methylene)-2H-indol-2-one","1,3Dihydro3((2,4,6trimethoxyphenyl)methylene)2Hindol2one",Maybridge3_000754,
Maybridge3000754,Maybridge3-000754,"Maybridge3 000754",CHEMBL576349,GTPL5985,3,T2440,"EMD 400090",400090}

> <pdid>
PD002683

> <targets>
{"Casein Kinase"}

> <classes>
{}

> <pubchem_cids>
{3674}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 28 30  0  0  1  0            999 V2000
    6.0344    8.8940    0.0000 C   0  0
    5.6832    7.4357    0.0000 C   0  0
    6.7704    6.4012    0.0000 C   0  0  2  0  0  0
    7.8571    5.3671    0.0000 C   0  0
    8.2099    6.8259    0.0000 C   0  0
    9.2965    5.7919    0.0000 O   0  0
    8.5627    8.2847    0.0000 N   0  0
   10.0022    8.7094    0.0000 C   0  0
   10.3550   10.1682    0.0000 C   0  0
   11.7936   10.5927    0.0000 F   0  0
   10.7069   11.6263    0.0000 F   0  0
    9.2683   11.2022    0.0000 F   0  0
    6.4176    4.9424    0.0000 N   0  0
    4.9781    4.5176    0.0000 C   0  0
    4.6234    3.0602    0.0000 N   0  0
    3.1884    2.6409    0.0000 C   0  0
    2.0990    3.6745    0.0000 N   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 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  1
  3  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  1  0
  9 12  1  0
  3 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
 16 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 20  1  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_L8000_Stem cell Differentiation Compound Library

> <id>
25212

> <plate>
PLATE 002

> <well>
A5

> <supplier_cmpd_name>
Decernotinib

> <ctcr_id>
11520

> <supplier_cmpd_id>
T2636

> <smiles>
CC[C@](C)(C(=O)NCC(F)(F)F)Nc1nc(ncc1)c1c[nH]c2c1cccn2

> <pd_targets>
{JAK3,JAK1,JAK2,TYK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase JakA family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Cytokine Signaling in Immune system",Mitotic,"Signaling by Interleukins","Interferon Signaling","Mitotic G1 phase and G1/S transition","Interleukin-2 family signaling","
Antiviral mechanism by IFN-stimulated genes","G1 Phase","Interferon alpha/beta signaling","Interleukin-15 signaling","ISG15 antiviral mechanism","Cyclin D associated events in G1","Regulation of IFNA 
signaling"}

> <broad_targets>
{JAK3}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{Decernotinib,944842-54-0,944842540,"944842 54 0",Adelatinib,VX-509,VX509,"VX 509","Decernotinib (VX-509)","Decernotinib (VX509)","Decernotinib (VX 509)",UNII-MZK2GP0RHK,UNIIMZK2GP0RHK,"UNII MZK2GP0RH
K",Decernotinib(VX-509),Decernotinib(VX509),T2636}

> <pdid>
PD016973

> <targets>
{JAK,JAK1,JAK2,JAK3,Tyk2}

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

> <pubchem_cids>
{59422203}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 27 30  0  0  0  0            999 V2000
    5.1065    0.0000    0.0000 O   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 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
    9.0651    3.8662    0.0000 O   0  0
   10.0635    2.7467    0.0000 C   0  0
    7.1272    2.1369    0.0000 C   0  0
    5.6590    1.8298    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
   -0.8254    7.0978    0.0000 O   0  0
   -2.2922    6.7841    0.0000 C   0  0
   -0.2829    4.5579    0.0000 C   0  0
    0.7206    3.4429    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  2  0
  5  6  1  0
  6  2  1  0
  6  7  2  3
  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  2  0
 15  8  1  0
  7 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  2  0
 23 16  1  0
  5 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27  4  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25213

> <plate>
PLATE 002

> <well>
A6

> <supplier_cmpd_name>
TAS-301

> <ctcr_id>
11887

> <supplier_cmpd_id>
T2441

> <smiles>
O=C1Nc2c(C1=C(c1ccc(OC)cc1)c1ccc(OC)cc1)cccc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AS30,TAS-301,TAS301,193620-69-8,193620698,"Tas 301",3-(BIS(4-METHOXYPHENYL)METHYLIDENE)-1H-INDOL-2-ONE,3(BIS(4METHOXYPHENYL)METHYLIDENE)1HINDOL2ONE,"3-(Bis(4-methoxyphenyl)methylene)-1,3-dihydro-2H-i
ndol-2-one","3(Bis(4methoxyphenyl)methylene)1,3dihydro2Hindol2one",MFCD05865245,3-bis(4-Methoxyphenyl)methylene-2-indolinone,3bis(4Methoxyphenyl)methylene2indolinone,3-Bis-(4-methoxphenyl)methylene-2-
indo,3Bis(4methoxphenyl)methylene2indo,T2441}

> <pdid>
PD012276

> <targets>
{PKC}

> <classes>
{"Cytoskeletal Signaling"}

> <pubchem_cids>
{9885087}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 20 20  0  0  0  0            999 V2000
    5.0973   -2.2494    0.0000 Cl  0  0
    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 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 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -5.1821   -3.0099    0.0000 N   0  0
   -3.8787   -3.7540    0.0000 C   0  0
   -3.8704   -5.2548    0.0000 C   0  0
   -2.5677   -5.9984    0.0000 O   0  0
   -3.8939   -0.7546    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  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  7  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  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 13 18  2  3
 18  9  1  0
  7 19  1  0
 19 20  2  3
 20  4  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25214

> <plate>
PLATE 002

> <well>
A7

> <supplier_cmpd_name>
Cardiogenol C hydrochloride

> <ctcr_id>
11888

> <supplier_cmpd_id>
T2161

> <smiles>
Cl.COC1=CC=C(NC2=NC=CC(NCCO)=N2)C=C1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"cardiomyogenesis inducer"}

> <synonyms>
{AKOS024457831,CS-4960,CS4960,"Cardiogenol C - CAS 671225-39-1","Cardiogenol C  CAS 671225391",SMR004701463,B7513,"Cardiogenol C hydrochloride",1049741-55-0,1049741550,"Cardiogenol C (hydrochloride)",
"Cardiogenol C HCl",671225-39-1,671225391,"Cardiogenol C, Hydrochloride",4-(2-Hydrox,4(2Hydrox,T2161}

> <pdid>
PD069909

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{16078958}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25215

> <plate>
PLATE 002

> <well>
A8

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25216

> <plate>
PLATE 002

> <well>
A9

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 36 39  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
   -0.0031   -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
   -5.2089   -5.9859    0.0000 Cl  0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -5.1977   -2.9829    0.0000 N   0  0
   -5.1903   -1.4821    0.0000 C   0  0
   -3.8861   -0.7410    0.0000 C   0  0
   -3.8758    0.7590    0.0000 C   0  0
   -5.1696    1.5179    0.0000 C   0  0
   -6.4738    0.7769    0.0000 C   0  0
   -6.4841   -0.7230    0.0000 C   0  0
   -7.7891   -1.4644    0.0000 P   0  0
   -9.0833   -0.7062    0.0000 O   0  0
   -7.7990   -2.9644    0.0000 C   0  0
   -9.0929   -2.2060    0.0000 C   0  0
   -2.6004   -2.9949    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 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 N   0  0
   -1.3116    8.2478    0.0000 C   0  0
    1.2863    8.2560    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  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  2  0
 23 25  1  0
 23 26  1  0
 15 27  2  0
 27 10  1  0
  5 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
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25217

> <plate>
PLATE 002

> <well>
A10

> <supplier_cmpd_name>
AP26113

> <ctcr_id>
6572

> <supplier_cmpd_id>
T3059

> <smiles>
COc1cc(ccc1Nc2ncc(Cl)c(Nc3ccccc3P(=O)(C)C)n2)N4CCC(CC4)N(C)C

> <pd_targets>
{ALK,EGFR,ROS1,INSR,IGF1R,AURKA,EML4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","TK protein kinase group","Other protein kinase group","TKL protein kinase STKR family","Tyrosine protein kinase EGFR family","Tyrosine prote
in kinase Sev family","Tyrosine protein kinase InsR family","Other protein kinase AUR family","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Other protein kinases","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) family","Type XIX RTKs: Leukocyte tyrosine kin
ase (LTK) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XVII RTKs: ROS receptors","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Signaling by GPCR","Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","
GPCR downstream signalling","PIP3 activates AKT signaling","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Generic Transcription Pathway","G alpha (q) signalling events","Negative
 regulation of the PI3K/AKT network","IGF1R signaling cascade","Transcriptional Regulation by TP53","Gastrin-CREB signalling pathway via PKC and MAPK",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling",
"IRS-related events triggered by IGF1R","Regulation of TP53 Activity","EGFR Transactivation by Gastrin","Regulation of TP53 Activity through Phosphorylation"}

> <broad_targets>
{ALK,EGFR}

> <broad_moa>
{"ALK tyrosine kinase receptor inhibitor"}

> <synonyms>
{AP26113,1197958-12-5,1197958125,ALK-IN-1,ALKIN1,Brigatinib-analog,Brigatinibanalog,UNII-3DGD69C6PV,UNII3DGD69C6PV,3DGD69C6PV,CHEMBL3397300,"1197958-12-5 (analog)","1197958125 (analog)","Brigatinib an
alog",AP26113-analog,AP26113analog,Tube723,"compound 11q (PMID: 27144831)",Brigatinib(AP26113),C26H34ClN6O2P,GTPL7741,SCHEMBL11916416,T3059,S7000}

> <pdid>
PD010656

> <targets>
{ALK}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{57390074}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25218

> <plate>
PLATE 002

> <well>
A11

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 13 14  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
    2.5981    1.5000    0.0000 Br  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
   -2.7248    1.2135    0.0000 N   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
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Br  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
  9 10  1  0
 10 11  1  0
 11  7  1  0
 11 12  2  0
 12  2  1  0
 12 13  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25219

> <plate>
PLATE 002

> <well>
B2

> <supplier_cmpd_name>
TBB

> <ctcr_id>
1346

> <supplier_cmpd_id>
T2695

> <smiles>
Brc1c(Br)c(Br)c2nn[nH]c2c1Br

> <pd_targets>
{CSNK2A1,CSNK2A2,CSNK2B,FTL,LMNA,KDM4E,ALOX15,HPGD,CYP3A4,DYRK1A,NQO2,REP,KMT2A,MEN1,THPO,NS3,GMNN,RECQL,NFKB1,ALDH1A1,BLM,CSNK2A3,MAPT,HSD17B10}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other nuclear protein","Epigenetic regulator","Other cytosolic protein",Kinase,Eraser,Oxidoreductase,"Cytochrome P450",Transferase,Reader,Protease,"Protein Kinase","Lys
ine demethylase","Cytochrome P450 family 3",Bromodomain,"Serine protease","Other protein kinase group","Jumonji domain-containing","Cytochrome P450 family 3A","CMGC protein kinase group","Serine prote
ase PA clan","Other protein kinase CK2 family","Cytochrome P450 3A4","CMGC protein kinase DYRK family","Serine protease S29 family","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Catalytic receptors","Chromatin modifying enzymes","Eicosanoid turnover","Cytochrome P450","Kinases (EC 2.7.x.x)","Anti-infective targets","Receptor kinases
","1.14.11.- Histone demethylases",Lipoxygenases,"Prostaglandin synthases","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Viral protein targets","Other protein kinases","Dual-specifici
ty tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Coronavirus (CoV) proteins","Casein kinase 2 (CK2) family","Dyrk1 subfamily"}

> <pathway_reactome>
{"Vesicle-mediated transport","Gene expression (Transcription)","Cell Cycle",Metabolism,Disease,Hemostasis,"Immune System","DNA Repair","Neuronal System","Membrane Trafficking","RNA Polymerase II Tran
scription",Mitotic,"Metabolism of lipids","Biological oxidations","Infectious disease","Platelet activation","signaling and aggregation","Cytokine Signaling in Immune system","DNA Double-Strand Break 
Repair","Transmission across Chemical Synapses","Metabolism of amino acids and derivatives","trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","M Phase","Biosynthesis of specialized
 proresolving mediators (SPMs)","Mitotic G1 phase and G1/S transition","Phase I - Functionalization of compounds","SARS-CoV Infections","Platelet Aggregation (Plug Formation)","Signaling by Interleuki
ns","Homology Directed Repair","Neurotransmitter receptors and postsynaptic signal transmission","Branched-chain amino acid catabolism","Golgi Associated Vesicle Biogenesis","Transcriptional Regulatio
n by TP53","Mitotic Metaphase and Anaphase","Biosynthesis of DPA-derived SPMs","Biosynthesis of DHA-derived SPMs","G0 and Early G1","SARS-CoV-2 Infection","G1/S Transition","Interleukin-1 family signa
ling","Ethanol oxidation","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Activation of NMDA receptors and postsynaptic events","Regulation of TP53 Activity","Mitotic An
aphase","Biosynthesis of DPAn-3 SPMs","Biosynthesis of D-series resolvins","Biosynthesis of maresins","SARS-CoV-2 Genome Replication and Transcription","Activation of the pre-replicative complex","Int
erleukin-1 signaling","HDR through Homologous Recombination (HRR)","Post NMDA receptor activation events","Regulation of TP53 Activity through Phosphorylation","Nuclear Envelope (NE) Reassembly","Bios
ynthesis of DPAn-3-derived protectins and resolvins","Biosynthesis of maresin-like SPMs","Replication of the SARS-CoV-2 genome","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Homologous DNA Pairing and
 Strand Exchange","Activation of AMPK downstream of NMDARs","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{17374-26-4,17374264,"4,5,6,7-tetrabromobenzotriazole","4,5,6,7tetrabromobenzotriazole",TBB,"4,5,6,7-Tetrabromo-1H-benzotriazole","4,5,6,7Tetrabromo1Hbenzotriazole",TBBt,"4,5,6,7-tetrabromo-2H-benzotr
iazole","4,5,6,7tetrabromo2Hbenzotriazole","4,5,6,7-Tetrabromo-1H-benzo(d)(1,2,3)triazole","4,5,6,7Tetrabromo1Hbenzo(d)(1,2,3)triazole",TETRABROMO-2-BENZOTRIAZOLE,TETRABROMO2BENZOTRIAZOLE,"4,5,6,7-Tet
rabromo-2-azabenzimidazole","4,5,6,7Tetrabromo2azabenzimidazole",Ca,2275,"EMD 218697",218697}

> <pdid>
PD002647

> <targets>
{"Casein Kinase II Inhibitor I",CK2}

> <classes>
{}

> <pubchem_cids>
{1694}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 34 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 C   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 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
   -7.7880   -6.0128    0.0000 N   0  0
   -9.0883   -5.2632    0.0000 C   0  0
   -9.0888   -3.7632    0.0000 S   0  0
  -10.3880   -6.0136    0.0000 N   0  0
  -11.6883   -5.2640    0.0000 C   0  0
  -11.6887   -3.7640    0.0000 O   0  0
  -12.9880   -6.0144    0.0000 C   0  0
  -14.2882   -5.2649    0.0000 O   0  0
  -15.5880   -6.0153    0.0000 C   0  0
  -15.5850   -7.5153    0.0000 C   0  0
  -16.8825   -8.2680    0.0000 C   0  0
  -18.1831   -7.5206    0.0000 C   0  0
  -19.4806   -8.2733    0.0000 Br  0  0
  -18.1861   -6.0206    0.0000 C   0  0
  -16.8886   -5.2680    0.0000 C   0  0
  -16.8917   -3.7680    0.0000 Cl  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  1  0
  4  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
 16 17  1  0
 17 18  2  0
 17 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  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
 30 31  1  0
 15 32  1  0
 32 33  2  0
 33 12  1  0
  7 34  2  0
 34  2  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25220

> <plate>
PLATE 002

> <well>
B3

> <supplier_cmpd_name>
ZCL 278

> <ctcr_id>
6811

> <supplier_cmpd_id>
T1855

> <smiles>
Cc1cc(C)nc(N[S](=O)(=O)c2ccc(NC(=S)NC(=O)COc3ccc(Br)cc3Cl)cc2)n1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{CDC42}

> <broad_moa>
{"CDC inhibitor"}

> <synonyms>
{ZCL278,587841-73-4,587841734,"ZCL 278",ZCL-278,C21H19BrClN5O4S2,ARONIS004911,CHEMBL4303380,SCHEMBL14060769,EX-A216,EXA216,HMS3653A10,AMY24209,BCP08398,ZINC2135898,2816AH,MFCD03623090,s7293,STK125289,
AKOS000494749,CCG-270148,CCG270148,CS-1731,CS1731,MCULE-9739943358,MCULE9739943358,SB19477,NCGC0037,T1855,S7293}

> <pdid>
PD010361

> <targets>
{Rac,Rho}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{1791111}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 55 62  0  0  0  0            999 V2000
    2.5577    6.9866    0.0000 C   0  0
    1.3657    6.0760    0.0000 C   0  0
    1.1734    7.5636    0.0000 C   0  0
   -0.0187    6.6535    0.0000 O   0  0
    1.5585    4.5902    0.0000 C   0  0
    0.4685    3.5597    0.0000 C   0  0
    1.1118    2.2046    0.0000 C   0  0
    2.5557    2.4438    0.0000 C   0  0
    4.0154    2.7894    0.0000 C   0  0
    2.8754    3.8720    0.0000 O   0  0
    2.1287    1.0052    0.0000 C   0  0
    3.0157    0.0000    0.0000 C   0  0
    4.5110    0.1184    0.0000 O   0  0
    2.1287   -1.3994    0.0000 C   0  0
    0.7096   -0.9264    0.0000 C   0  0
    0.8750   -2.4172    0.0000 C   0  0
   -0.5322   -1.6754    0.0000 C   0  0
   -0.5322   -3.1734    0.0000 C   0  0
   -1.8331   -3.9027    0.0000 C   0  0
   -1.8300   -5.4039    0.0000 O   0  0
   -0.5292   -6.1525    0.0000 C   0  0
    0.7674   -5.3980    0.0000 O   0  0
    2.0690   -6.1435    0.0000 C   0  0
    3.3646   -5.3860    0.0000 C   0  0
    3.3573   -3.8860    0.0000 O   0  0
    2.0742   -7.6435    0.0000 C   0  0
    3.3758   -8.3890    0.0000 O   0  0
    0.7777   -8.3980    0.0000 C   0  0
    0.7829   -9.8980    0.0000 O   0  0
   -0.5239   -7.6525    0.0000 C   0  0
   -1.8203   -8.4070    0.0000 O   0  0
   -3.1340   -3.1734    0.0000 C   0  0
   -4.4151   -3.9027    0.0000 C   0  0
   -3.0984   -4.6211    0.0000 C   0  0
   -5.7318   -4.6213    0.0000 C   0  0
   -5.6963   -3.1734    0.0000 C   0  0
   -5.6963   -1.6754    0.0000 C   0  0
   -4.4151   -0.9264    0.0000 C   0  0
   -3.1340   -1.6754    0.0000 C   0  0
   -3.1340    0.0394    0.0000 C   0  0
   -1.8528   -0.8870    0.0000 C   0  0
   -1.8331    0.5322    0.0000 C   0  0
   -0.5322    1.2812    0.0000 C   0  0
    0.7096    0.5322    0.0000 C   0  0
    0.8199    1.5261    0.0000 C   0  0
   -6.9921   -3.9307    0.0000 O   0  0
   -8.2964   -3.1881    0.0000 C   0  0
   -8.3023   -1.6881    0.0000 O   0  0
   -9.6043   -0.9432    0.0000 C   0  0
  -10.9004   -1.6983    0.0000 C   0  0
  -12.2024   -0.9534    0.0000 O   0  0
  -10.8945   -3.1983    0.0000 C   0  0
  -12.1906   -3.9533    0.0000 O   0  0
   -9.5925   -3.9431    0.0000 C   0  0
   -9.5867   -5.4431    0.0000 O   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  1  0
  8  9  1  0
  8 10  1  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 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
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 21  1  0
 30 31  1  0
 19 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 32  1  0
 39 40  1  0
 40 41  1  0
 41 17  1  0
 41 39  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 11  1  0
 44 15  1  0
 44 45  1  0
 36 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 50 52  1  0
 52 53  1  0
 52 54  1  0
 54 47  1  0
 54 55  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25221

> <plate>
PLATE 002

> <well>
B4

> <supplier_cmpd_name>
Astragaloside IV

> <ctcr_id>
6700

> <supplier_cmpd_id>
T2973

> <smiles>
CC(C)(O)C1CCC(C)(O1)C2C(O)CC3(C)C4CC(OC5OC(CO)C(O)C(O)C5O)C6C(C)(C)C(CCC67CC47CCC23C)OC8OCC(O)C(O)C8O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"anti-inflammatory agent"}

> <synonyms>
{"Astragaloside IV","Astragaloside A",84687-43-4,84687434,NSC650944,83207-58-3,83207583,FT-0686574,FT0686574,S2415}

> <pdid>
PD000649

> <targets>
{TGF-beta/Smad}

> <classes>
{TGF-beta/Smad}

> <pubchem_cids>
{500122}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25222

> <plate>
PLATE 002

> <well>
B5

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 65 71  0  0  1  0            999 V2000
    1.2889   -5.8027    0.0000 C   0  0  1  0  0  0
    2.2806   -4.6772    0.0000 C   0  0  1  0  0  0
    3.7511   -4.9733    0.0000 C   0  0  2  0  0  0
    4.2300   -6.3948    0.0000 C   0  0  1  0  0  0
    3.2383   -7.5202    0.0000 C   0  0  2  0  0  0
    1.7678   -7.2242    0.0000 O   0  0
    3.7204   -8.9416    0.0000 C   0  0
    2.7318  -10.0697    0.0000 O   0  0
    5.7005   -6.6908    0.0000 O   0  0
    4.4122   -4.2230    0.0000 O   0  0
    1.9614   -3.7296    0.0000 O   0  0
   -0.1818   -5.5036    0.0000 O   0  0
   -0.6590   -4.0805    0.0000 C   0  0  1  0  0  0
    0.8112   -4.3783    0.0000 C   0  0
   -2.1306   -3.7857    0.0000 C   0  0
   -3.1224   -4.9120    0.0000 C   0  0
   -4.5940   -4.6171    0.0000 C   0  0
   -5.5859   -5.7435    0.0000 C   0  0
   -7.0566   -5.4488    0.0000 C   0  0
   -5.2661   -6.6910    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0  1  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  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  0  0  0
    1.2990    3.7500    0.0000 C   0  0  1  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
   -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  2  0  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
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2991    2.2500    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
    2.5800    4.4696    0.0000 C   0  0
    1.2638    6.7496    0.0000 C   0  0
    3.8994    3.7478    0.0000 O   0  0
    5.1980    2.9955    0.0000 C   0  0  1  0  0  0
    6.4997    3.7410    0.0000 C   0  0  1  0  0  0
    7.7962    2.9865    0.0000 C   0  0  2  0  0  0
    7.7910    1.4865    0.0000 C   0  0  1  0  0  0
    6.4894    0.7410    0.0000 C   0  0  2  0  0  0
    5.1929    1.4955    0.0000 O   0  0
    6.4873   -0.7598    0.0000 C   0  0
    7.7848   -1.5125    0.0000 O   0  0
    9.0874    0.7320    0.0000 O   0  0
    9.0978    3.7320    0.0000 O   0  0
    6.5019    5.2418    0.0000 O   0  0
    5.2037    5.9949    0.0000 C   0  0  1  0  0  0
    5.2036    7.4949    0.0000 C   0  0  1  0  0  0
    3.9046    8.2450    0.0000 C   0  0  2  0  0  0
    2.6056    7.4950    0.0000 C   0  0  1  0  0  0
    2.6055    5.9950    0.0000 C   0  0
    3.9045    5.2450    0.0000 O   0  0
    1.3065    8.2450    0.0000 O   0  0
    3.9047    9.7450    0.0000 O   0  0
    6.5027    8.2449    0.0000 O   0  0
    2.1651    0.2500    0.0000 C   0  0
    2.2090   -0.3353    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
  7  8  1  0
  4  9  1  6
  3 10  1  1
  2 11  1  6
  1 12  1  1
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 18 20  1  0
 13 21  1  0
 21 22  1  6
 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  6
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 33 34  1  0
 34 25  1  0
 34 35  1  6
 35 36  1  0
 37 36  1  1
 37 21  1  0
 37 24  1  0
 36 38  1  6
 33 39  1  6
 30 40  1  6
 29 41  1  0
 29 42  1  0
 27 43  1  1
 44 43  1  1
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 44  1  0
 48 50  1  1
 50 51  1  0
 47 52  1  6
 46 53  1  1
 45 54  1  6
 55 54  1  6
 55 56  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  1  0
 60 55  1  0
 58 61  1  1
 57 62  1  6
 56 63  1  1
 25 64  1  6
 24 65  1  1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25223

> <plate>
PLATE 002

> <well>
B6

> <supplier_cmpd_name>
Notoginsenoside R1

> <ctcr_id>
11889

> <supplier_cmpd_id>
T2961

> <smiles>
[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@](C)(CCC=C(C)C)[C@H]1CC[C@]2([C@@]3(C[C@@H]([C@H]4C([C@H](CC[C@@]4([C@H]3C[C@H]([C@H]12)O)C)O)(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1
[C@@H]([C@H]([C@@H](CO1)O)O)O)C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Notoginsenoside R1",80418-24-2,80418242,notoginsenoside-R1,notoginsenosideR1,"Sanchinoside R1",UNII-Z62692362Z,UNIIZ62692362Z,CHEBI:77149,MFCD00210535,Z62692362Z,"O-Acetylseudolaric acid C","OAcetyl
seudolaric acid C",CHEMBL507115,C47H80O18,"(20S)-ginsenoside R1","(20S)ginsenoside R1","HSDB 8111",HY-N0615,HYN0615,s3785,AKOS02531147,T2961}

> <pdid>
PD056363

> <targets>
{Others,ERK1,ERK2}

> <classes>
{MAPK}

> <pubchem_cids>
{441934}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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
    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 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 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  3
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11  5  1  0
 11 12  2  0
 12  2  1  0
 12 13  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25224

> <plate>
PLATE 002

> <well>
B7

> <supplier_cmpd_name>
Daphnetin

> <ctcr_id>
4751

> <supplier_cmpd_id>
T2851

> <smiles>
Oc1ccc2C=CC(=O)Oc2c1O

> <pd_targets>
{SMN1,THRB,ALOX15,THPO,POLB,PYK,KDM4E,MAPT,CYP3A4,CYP1A2,EGFR,PMP22,APEX1,LUXP,ALD,LMNA,HSD17B10,ALDH1A1,HPGD,TDP1,CHRM1,NPSR1}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor",Enzyme,"Unclassified protein","Other cytosolic protein","Other nuclear protein","Membrane receptor",Reader,"Nuclear receptor",Oxidoreductase,Transferase,
Eraser,"Cytochrome P450",Kinase,Hydrolase,"Family A G protein-coupled receptor","Methyl-lysine/arginine binding protein","Nuclear hormone receptor subfamily 1","Lysine demethylase","Cytochrome P450 fa
mily 3","Cytochrome P450 family 1","Protein Kinase","Small molecule receptor (family A GPCR)","Peptide receptor (family A GPCR)","Tudor domain","Nuclear hormone receptor subfamily 1 group A","Jumonji 
domain-containing","Cytochrome P450 family 3A","Cytochrome P450 family 1A","TK protein kinase group","Monoamine receptor","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1
 group A member 2","Cytochrome P450 3A4","Cytochrome P450 1A1","Tyrosine protein kinase EGFR family","Acetylcholine receptor","Neuropeptide receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Eicosanoid turnover","Chromatin modifying enzymes","Cytochrome P450","Catalytic receptors","G protein-coupled receptors","1A. Thyroid hormone receptors"
,Lipoxygenases,"1.14.11.- Histone demethylases","CYP3 family","CYP1 family","Receptor kinases","Prostaglandin synthases","Acetylcholine receptors (muscarinic)","Neuropeptide S receptor","TK: Tyrosine 
kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Metabolism of RNA","Metabolism of proteins",Metabolism,Hemostasis,"DNA Repair","Neuronal System","Signal Transduction","Developmental Biology","Cell Cycle",Disease,"Metabolism of non-coding RNA","Po
st-translational protein modification","Metabolism of lipids","Platelet activation","signaling and aggregation","Base Excision Repair","Transmission across Chemical Synapses","Biological oxidations","
Signaling by GPCR","Nervous system development",Mitotic,"Metabolism of amino acids and derivatives","DNA Double-Strand Break Repair","Infectious disease","snRNP Assembly",SUMOylation,"Biosynthesis of 
specialized proresolving mediators (SPMs)","Platelet Aggregation (Plug Formation)","Resolution of Abasic Sites (AP sites)","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - 
Functionalization of compounds","GPCR downstream signalling","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Branched-chain amino acid catabolism","Nonhomologous End-Joinin
g (NHEJ)","GPCR ligand binding","Leishmania infection","SUMO E3 ligases SUMOylate target proteins","Biosynthesis of DPA-derived SPMs","Resolution of AP sites via the multiple-nucleotide patch replacem
ent pathway","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","G alpha (q) signalling events","Mitotic Metaphase
 and Anaphase","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","SUMOylation of intracellular receptors","Biosynthesis of DPAn-3 SPMs","PCNA-Depende
nt Long Patch Base Excision Repair","Post NMDA receptor activation events","Biosynthesis of maresins",Xenobiotics,"Gastrin-CREB signalling pathway via PKC and MAPK","Mitotic Anaphase","Biosynthesis of
 D-series resolvins","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3-derived protectins and resolvins","Activation of AMPK
 downstream of NMDARs","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","EGFR Transactivation by Gastrin","Nuclear Envelope (NE) Reassembly","Musc
arinic acetylcholine receptors","ADORA2B mediated anti-inflammatory cytokines production","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"protein kinase inhibitor"}

> <synonyms>
{"7,8-Dihydroxycoumarin","7,8Dihydroxycoumarin",486-35-1,486351,Daphnetol,"7,8-Dihydroxy-2H-chromen-2-one","7,8Dihydroxy2Hchromen2one","7,8-Dihydroxy-2H-1-benzopyran-2-one","7,8Dihydroxy2H1benzopyran2
one","7,8-dihydroxychromen-2-one","7,8dihydroxychromen2one","2H-1-Benzopyran-2-one, 7,8-dihydroxy-","2H1Benzopyran2one, 7,8dihydroxy","7,8-DIHYDROXY-2H-BENZOPYRAN-2-ONE","7,8DIHYDROXY2HBENZOPYRAN2ONE"
,UNII-XC84571RD2,UNIIXC84571RD2,T2851,1504141,Daphnetin,DAPHNETIN}

> <pdid>
PD001265

> <targets>
{EGFR,PKA,PKC,Autophagy,Parasite}

> <classes>
{antimalarial,PK inhibitor,Anti-infection,Autophagy,Epigenetics,JAK/STAT Signaling,Protein Tyrosine Kinase/RTK,Stem Cell/Wnt,TGF-beta/Smad}

> <pubchem_cids>
{5280569}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 56 61  0  0  1  0            999 V2000
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    1.2935   -3.7495    0.0000 C   0  0  1  0  0  0
    1.2883   -5.2495    0.0000 C   0  0  2  0  0  0
    2.5847   -6.0040    0.0000 C   0  0  1  0  0  0
    3.8864   -5.2585    0.0000 C   0  0  2  0  0  0
    3.8915   -3.7585    0.0000 O   0  0
    5.1820   -6.0160    0.0000 C   0  0
    6.4856   -5.2740    0.0000 O   0  0
    2.5796   -7.5040    0.0000 O   0  0
   -0.0133   -5.9950    0.0000 O   0  0
   -0.0030   -2.9951    0.0000 O   0  0
    2.5973   -1.5031    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    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0  2  0  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  0  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
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
   -2.8831   -2.9666    0.0000 C   0  0
   -4.3739   -3.1330    0.0000 C   0  0
   -4.9928   -1.7666    0.0000 C   0  0  1  0  0  0
   -3.8971   -0.7500    0.0000 C   0  0  1  0  0  0
   -3.8971    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -6.4614   -1.4696    0.0000 C   0  0  2  0  0  0
   -5.9842   -2.8916    0.0000 C   0  0
   -6.9418   -0.0477    0.0000 C   0  0
   -5.9514    1.0799    0.0000 C   0  0
   -6.4318    2.5017    0.0000 C   0  0
   -5.4414    3.6293    0.0000 C   0  0
   -5.9215    5.0504    0.0000 C   0  0
   -4.4608    3.4332    0.0000 C   0  0
   -7.4552   -2.5943    0.0000 O   0  0
   -8.9263   -2.2969    0.0000 C   0  0  1  0  0  0
   -9.9212   -3.4195    0.0000 C   0  0  1  0  0  0
  -11.3908   -3.1194    0.0000 C   0  0  2  0  0  0
  -11.8657   -1.6965    0.0000 C   0  0  1  0  0  0
  -10.8709   -0.5738    0.0000 C   0  0  2  0  0  0
   -9.4012   -0.8740    0.0000 O   0  0
  -11.3489    0.8488    0.0000 C   0  0
  -12.8190    1.1469    0.0000 O   0  0
  -13.3353   -1.3963    0.0000 O   0  0
  -12.3856   -4.2420    0.0000 O   0  0
   -9.4464   -4.8424    0.0000 O   0  0
   -1.7840   -2.0807    0.0000 C   0  0
   -1.2990   -1.7500    0.0000 C   0  0
   -1.2991    2.2500    0.0000 C   0  0
    3.8971    3.7500    0.0000 O   0  0
    2.5627    0.0004    0.0000 C   0  0
    3.8791    2.2803    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  6
  7  8  1  0
  4  9  1  1
  3 10  1  6
  2 11  1  1
  1 12  1  6
 13 12  1  1
 13 14  1  0
 14 15  1  6
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 13  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 26 25  1  6
 27 26  1  1
 27 23  1  0
 27 28  1  0
 28 29  1  0
 20 29  1  6
 28 30  1  6
 26 31  1  0
 31 32  1  6
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  2  3
 36 37  1  0
 36 38  1  0
 31 39  1  0
 40 39  1  1
 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
 46 47  1  0
 43 48  1  6
 42 49  1  1
 41 50  1  6
 23 51  1  1
 21 52  1  6
 19 53  1  6
 16 54  1  6
 15 55  1  0
 15 56  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25225

> <plate>
PLATE 002

> <well>
B8

> <supplier_cmpd_name>
Ginsenoside Rg1

> <ctcr_id>
11890

> <supplier_cmpd_id>
T2777

> <smiles>
[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]1[C@H]2C([C@H](CC[C@@]2([C@@H]2[C@@](C1)([C@@]1(CC[C@@H]([C@H]1[C@@H](C2)O)[C@](C)(CCC=C(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)O)(
C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Ginsenoside RG1",22427-39-0,22427390,"Panaxoside A","Sanchinoside C1","Panaxoside Rg1","Ginsenoside A2","Sanchinoside Rg1",UNII-PJ788634QY,UNIIPJ788634QY,"(20S)-ginsenoside Rg1","(20S)ginsenoside Rg
1",CHEBI:67987,PJ788634QY,MFCD00210293,"Ginsenoside g1",CHEMBL501637,"Panaxoside A;",T2777,"Ginsenoside Rg1"}

> <pdid>
PD012059

> <targets>
{Amyloid-¦Â,NF-¦ÊB}

> <classes>
{Neuroscience,NF-¦ÊB}

> <pubchem_cids>
{441923}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25226

> <plate>
PLATE 002

> <well>
B9

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 17 19  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
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  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  0  0  0
   -3.7124   -4.0030    0.0000 O   0  0
   -3.1022   -5.3733    0.0000 C   0  0
   -3.8522   -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
   -1.2990   -3.7500    0.0000 C   0  0  1  0  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
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  6
  6  8  1  0
  9  8  1  6
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15  9  1  0
 15 16  1  6
 16 17  2  3
 17  2  1  0
 17  6  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25227

> <plate>
PLATE 002

> <well>
B10

> <supplier_cmpd_name>
Helenine

> <ctcr_id>
5270

> <supplier_cmpd_id>
T2896

> <smiles>
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(=C)[C@H]3C=C12

> <pd_targets>
{MYB,MURA}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{STAT3}

> <broad_moa>
{"apoptosis stimulant","STAT inhibitor"}

> <synonyms>
{helenine,Eupatal,546-43-0,546430,helenin,"Alant camphor","Inula camphor","Elecampane camphor",UNII-M7GSN5Q1M6,UNIIM7GSN5Q1M6,CHEBI:2540,AI3-31147,AI331147,NSC93131,M7GSN5Q1M6,CHEMBL136356,"NSC 93131"
,"Alantic anhydride","EINECS 208-899-3","EINECS 2088993","NSC 302289",Alantcampho,310010,HELENINE}

> <pdid>
PD001968

> <targets>
{}

> <classes>
{antineoplastic,anthelmintic,antibacterial}

> <pubchem_cids>
{72724}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 77 84  0  0  1  0            999 V2000
    2.5901    3.0041    0.0000 C   0  0  1  0  0  0
    3.8892    3.7541    0.0000 C   0  0  1  0  0  0
    3.8893    5.2541    0.0000 C   0  0  2  0  0  0
    2.5903    6.0042    0.0000 C   0  0  1  0  0  0
    1.2912    5.2542    0.0000 C   0  0  2  0  0  0
    1.2911    3.7542    0.0000 O   0  0
   -0.0070    6.0073    0.0000 C   0  0
   -1.3081    5.2609    0.0000 O   0  0
    2.5903    7.5042    0.0000 O   0  0
    5.1883    6.0041    0.0000 O   0  0
    4.7552    3.2541    0.0000 O   0  0
    2.5931    1.5032    0.0000 O   0  0
    3.8939    0.7546    0.0000 C   0  0  1  0  0  0
    3.8990   -0.7455    0.0000 C   0  0  1  0  0  0
    5.2007   -1.4909    0.0000 O   0  0
    6.4972   -0.7364    0.0000 C   0  0  1  0  0  0
    6.4920    0.7636    0.0000 C   0  0  2  0  0  0
    5.1903    1.5091    0.0000 C   0  0  2  0  0  0
    5.1869    2.5091    0.0000 O   0  0
    7.7884    1.5181    0.0000 O   0  0
    7.7980   -1.4850    0.0000 C   0  0
    7.8010   -2.9850    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
   -1.2990    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
   -1.3164   -2.2191    0.0000 C   0  0
    1.3163   -2.2193    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  1  0  0  0
   -5.1962    1.5000    0.0000 C   0  0  2  0  0  0
   -6.6088    1.0136    0.0000 C   0  0
   -7.4983    2.2214    0.0000 C   0  0
   -6.6244    3.4406    0.0000 C   0  0  1  0  0  0
   -5.1962    3.0000    0.0000 C   0  0  1  0  0  0
   -3.8971    3.7500    0.0000 C   0  0  1  0  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    5.2500    0.0000 O   0  0
   -7.1015    4.8610    0.0000 C   0  0  2  0  0  0
   -8.0944    3.7366    0.0000 C   0  0
   -6.1103    5.9879    0.0000 C   0  0
   -4.6386    5.6940    0.0000 C   0  0
   -3.6474    6.8210    0.0000 C   0  0
   -2.1757    6.5270    0.0000 C   0  0
   -1.1850    7.6534    0.0000 C   0  0
   -1.8553    5.5797    0.0000 C   0  0
   -8.5724    5.1592    0.0000 O   0  0
   -9.0504    6.5819    0.0000 C   0  0  1  0  0  0
  -10.5201    6.8822    0.0000 C   0  0  1  0  0  0
  -10.9949    8.3051    0.0000 C   0  0  2  0  0  0
  -10.0001    9.4277    0.0000 C   0  0  1  0  0  0
   -8.5305    9.1275    0.0000 C   0  0  2  0  0  0
   -8.0556    7.7047    0.0000 O   0  0
   -7.5374   10.2529    0.0000 C   0  0
   -8.0146   11.6758    0.0000 O   0  0
   -7.0215   12.8012    0.0000 C   0  0  1  0  0  0
   -7.4964   14.2241    0.0000 C   0  0  1  0  0  0
   -6.5016   15.3467    0.0000 C   0  0  2  0  0  0
   -5.0319   15.0466    0.0000 C   0  0  1  0  0  0
   -4.5570   13.6237    0.0000 C   0  0  2  0  0  0
   -5.5518   12.5011    0.0000 O   0  0
   -3.0859   13.3265    0.0000 C   0  0
   -2.0928   14.4506    0.0000 O   0  0
   -4.0371   16.1693    0.0000 O   0  0
   -6.9765   16.7696    0.0000 O   0  0
   -8.9660   14.5243    0.0000 O   0  0
  -10.4750   10.8506    0.0000 O   0  0
  -12.4646    8.6053    0.0000 O   0  0
  -11.5149    5.7596    0.0000 O   0  0
   -5.2920    0.5046    0.0000 C   0  0
   -4.7631    0.2500    0.0000 C   0  0
   -1.2990    2.2500    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  6
  7  8  1  0
  4  9  1  1
  3 10  1  6
  2 11  1  1
  1 12  1  6
 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  1
 17 20  1  6
 16 21  1  1
 21 22  1  0
 14 23  1  1
 24 23  1  6
 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  1  0
 29 31  1  0
 28 32  1  6
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 38 37  1  6
 39 38  1  1
 39 35  1  0
 39 40  1  0
 40 41  1  0
 42 41  1  6
 42 27  1  0
 42 34  1  0
 40 43  1  6
 38 44  1  0
 44 45  1  6
 44 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  2  3
 49 50  1  0
 49 51  1  0
 44 52  1  0
 53 52  1  1
 53 54  1  0
 54 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  1  0
 58 53  1  0
 57 59  1  1
 59 60  1  0
 61 60  1  1
 61 62  1  0
 62 63  1  0
 63 64  1  0
 64 65  1  0
 65 66  1  0
 66 61  1  0
 65 67  1  1
 67 68  1  0
 64 69  1  6
 63 70  1  1
 62 71  1  6
 56 72  1  6
 55 73  1  1
 54 74  1  6
 35 75  1  1
 34 76  1  6
 27 77  1  6
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25228

> <plate>
PLATE 002

> <well>
B11

> <supplier_cmpd_name>
Ginsenoside Rb1

> <ctcr_id>
11891

> <supplier_cmpd_id>
T2822

> <smiles>
[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@]1([C@@]3(CC[C@@H]([C@H]3[C@@H](C[C@H]21)O)[C@](C)(CCC=C(C)C)O[C@H]1[C@@H]([C@H
]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)C)C)C

> <pd_targets>
{PRKAA2,PRKAB1,PRKAG1,SLCO1B3}

> <pathway_gtopdb>
{Enzyme,Transporter,Kinase,"Electrochemical transporter","Protein Kinase","SLC superfamily of solute carriers","CAMK protein kinase group","SLC21/SLCO family of organic anion transporting polypeptides
","CAMK protein kinase CAMK1 family","CAMK protein kinase AMPK subfamily"}

> <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>
.

> <synonyms>
{"Ginsenoside rb1","Gynosaponin C",41753-43-9,41753439,ginsenoside-Rb1,ginsenosideRb1,"Sanchinoside E1","Panax saponin E","Arasaponin E1","Pseudoginsenoside D","Gypenoside III","Panaxsaponin E",UNII-7
413S0WMH6,UNII7413S0WMH6,"(20S)-ginsenoside Rb1","(20S)ginsenoside Rb1",CHEMBL501515,"GRb 1",CHEBI:6,T2822,"Ginsenoside Rb1"}

> <pdid>
PD012060

> <targets>
{Autophagy,IRAK,Mitophagy,(Na,K)-ATPase,NF-¦ÊB,HSV,Na+/K+ ATPase,NF-ºB}

> <classes>
{Autophagy,Immunology/Inflammation,Membrane Transporter/Ion Channel,NF-¦ÊB,Anti-infection,NF-ºB}

> <pubchem_cids>
{9898279}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 66 72  0  0  1  0            999 V2000
   -1.3065   -3.7452    0.0000 C   0  0  1  0  0  0
   -1.3065   -5.2452    0.0000 C   0  0  1  0  0  0
   -2.6055   -5.9953    0.0000 C   0  0  1  0  0  0
   -3.9046   -5.2453    0.0000 C   0  0  2  0  0  0
   -3.9047   -3.7453    0.0000 C   0  0  1  0  0  0
   -2.6056   -2.9953    0.0000 O   0  0
   -5.2037   -2.9954    0.0000 C   0  0
   -5.2036   -5.9954    0.0000 O   0  0
   -2.6055   -7.4953    0.0000 O   0  0
   -0.4405   -5.7452    0.0000 O   0  0
   -0.0053   -2.9973    0.0000 O   0  0
    1.2935   -3.7495    0.0000 C   0  0  1  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
    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
    1.2883   -5.2495    0.0000 C   0  0  2  0  0  0
    0.4206   -5.7465    0.0000 O   0  0
    2.5796   -7.5040    0.0000 O   0  0
    5.1851   -6.0107    0.0000 C   0  0
    5.1839   -7.5107    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    3.8976   -0.7537    0.0000 C   0  0  2  0  0  0
    3.9019    0.7463    0.0000 C   0  0  1  0  0  0
    2.6050    1.5000    0.0000 C   0  0
    2.6093    3.0000    0.0000 C   0  0  2  0  0  0
    3.9104    3.7463    0.0000 C   0  0
    5.2073    2.9926    0.0000 C   0  0
    5.2031    1.4926    0.0000 C   0  0  2  0  0  0
    6.4999    0.7389    0.0000 C   0  0  2  0  0  0
    6.4957   -0.7611    0.0000 C   0  0  1  0  0  0
    5.1945   -1.5074    0.0000 C   0  0
    7.7926   -1.5148    0.0000 C   0  0  2  0  0  0
    8.0735   -2.9822    0.0000 C   0  0
    9.5637   -3.1528    0.0000 C   0  0
   10.1865   -1.7882    0.0000 C   0  0  1  0  0  0
    9.0937   -0.7685    0.0000 C   0  0  1  0  0  0
    9.0980    0.7315    0.0000 C   0  0  1  0  0  0
    7.8011    1.4852    0.0000 C   0  0
   10.3992    1.4778    0.0000 O   0  0
   11.6560   -1.4954    0.0000 C   0  0  2  0  0  0
   11.1747   -2.9160    0.0000 C   0  0
   12.1404   -0.0749    0.0000 C   0  0
   11.1532    1.0555    0.0000 C   0  0
   11.6377    2.4760    0.0000 C   0  0
   10.6504    3.6065    0.0000 C   0  0
   11.1346    5.0262    0.0000 C   0  0
    9.6693    3.4131    0.0000 C   0  0
   12.6466   -2.6229    0.0000 O   0  0
   14.1185   -2.3297    0.0000 C   0  0  1  0  0  0
   15.1102   -3.4551    0.0000 C   0  0  1  0  0  0
   16.5807   -3.1591    0.0000 C   0  0  2  0  0  0
   17.0596   -1.7376    0.0000 C   0  0  1  0  0  0
   16.0680   -0.6122    0.0000 C   0  0  2  0  0  0
   14.5975   -0.9082    0.0000 O   0  0
   16.5501    0.8091    0.0000 C   0  0
   18.0210    1.1031    0.0000 O   0  0
   18.5301   -1.4416    0.0000 O   0  0
   17.5723   -4.2846    0.0000 O   0  0
   14.6313   -4.8767    0.0000 O   0  0
    6.9768   -2.0932    0.0000 C   0  0
    6.4928   -1.7611    0.0000 C   0  0
    6.5042    2.2389    0.0000 C   0  0
    1.3124    3.7537    0.0000 O   0  0
    2.6361    0.0003    0.0000 C   0  0
    1.3261    2.2840    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  6
  4  8  1  1
  3  9  1  6
  2 10  1  6
  1 11  1  1
 12 11  1  1
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 17 18  1  6
 16 19  1  1
 15 20  1  6
 20 21  1  0
 13 22  1  6
 23 22  1  6
 23 24  1  0
 24 25  1  1
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 23  1  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 36 35  1  1
 37 36  1  6
 37 33  1  0
 37 38  1  0
 38 39  1  0
 30 39  1  1
 38 40  1  1
 36 41  1  0
 41 42  1  1
 41 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  2  3
 46 47  1  0
 46 48  1  0
 41 49  1  0
 50 49  1  6
 50 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 50  1  0
 54 56  1  6
 56 57  1  0
 53 58  1  1
 52 59  1  6
 51 60  1  1
 33 61  1  6
 31 62  1  1
 29 63  1  1
 26 64  1  1
 25 65  1  0
 25 66  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25229

> <plate>
PLATE 002

> <well>
C2

> <supplier_cmpd_name>
Ginsenoside Re

> <ctcr_id>
11892

> <supplier_cmpd_id>
T2872

> <smiles>
[C@@H]1([C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)O[C@@H]1[C@H]2C([C@H](CC[C@@]2([C@@H]2[C@@](C1)([C@@]1(CC[C@@H]([C@H]1[C@@H](C2)O)[C@](C)(CCC=C(C)C)O[C@H]1[C@@H
]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)C)O)(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"anti-inflammatory agent"}

> <synonyms>
{"Ginsenoside Re","Ginsenoside B2",52286-59-6,52286596,ginsenoside-Re,ginsenosideRe,"Panaxoside RE",UNII-46F3R0BL3I,UNII46F3R0BL3I,"Chikusetsusaponin IVc",51542-56-4,51542564,"NSC 308877",46F3R0BL3I,C
HEMBL510095,CHEBI:77148,MFCD00133369,NSC-308877,NSC308877,"EINECS 257-814-6","EINECS 2578146",(20S)-ginsenoside,(20S)ginsenoside,T2872}

> <pdid>
PD018664

> <targets>
{Amyloid-¦Â,JNK,NF-¦ÊB,Amyloid-²,Endogenous Metabolite,NF-ºB}

> <classes>
{MAPK,Neuroscience,NF-¦ÊB,MAPK/ERK Pathway,Metabolic Enzyme/Protease,Neuronal Signaling,NF-ºB}

> <pubchem_cids>
{441921}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 66 72  0  0  1  0            999 V2000
    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  0  0  0
    0.0000    3.0000    0.0000 C   0  0  2  0  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  1  0  0  0
    0.0030    7.5008    0.0000 O   0  0
   -1.2947    8.2547    0.0000 C   0  0  1  0  0  0
   -1.2938    9.7548    0.0000 C   0  0  1  0  0  0
   -2.5924   10.5056    0.0000 C   0  0  2  0  0  0
   -3.8919    9.7565    0.0000 C   0  0  1  0  0  0
   -3.8929    8.2565    0.0000 C   0  0  2  0  0  0
   -2.5943    7.5056    0.0000 O   0  0
   -5.1946    7.5096    0.0000 C   0  0
   -6.4921    8.2623    0.0000 O   0  0
   -5.1904   10.5073    0.0000 O   0  0
   -2.5914   12.0056    0.0000 O   0  0
    0.0080   10.5017    0.0000 O   0  0
    1.3062    9.7487    0.0000 C   0  0  1  0  0  0
    2.6083   10.4933    0.0000 C   0  0  1  0  0  0
    3.9043    9.7380    0.0000 C   0  0  2  0  0  0
    3.8982    8.2380    0.0000 C   0  0  1  0  0  0
    2.5961    7.4933    0.0000 C   0  0  2  0  0  0
    1.3001    8.2486    0.0000 O   0  0
    2.5931    5.9925    0.0000 C   0  0
    3.8901    5.2390    0.0000 O   0  0
    5.1942    7.4827    0.0000 O   0  0
    5.2064   10.4827    0.0000 O   0  0
    2.6145   11.9933    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    2.5800    4.4696    0.0000 C   0  0
    1.2638    6.7496    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
   -1.2991    2.2500    0.0000 C   0  0
   -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 C   0  0  2  0  0  0
    0.3326   -2.9571    0.0000 C   0  0  1  0  0  0
   -0.6590   -4.0805    0.0000 C   0  0  1  0  0  0
   -2.1302   -3.7838    0.0000 O   0  0
   -3.1235   -4.9090    0.0000 C   0  0  1  0  0  0
   -4.5943   -4.6146    0.0000 C   0  0  1  0  0  0
   -5.5848   -5.7411    0.0000 C   0  0  2  0  0  0
   -5.1044   -7.1621    0.0000 C   0  0  1  0  0  0
   -3.6336   -7.4566    0.0000 C   0  0  2  0  0  0
   -2.6431   -6.3301    0.0000 O   0  0
   -3.1559   -8.8793    0.0000 C   0  0
   -4.1479  -10.0045    0.0000 O   0  0
   -6.0948   -8.2886    0.0000 O   0  0
   -7.0556   -5.4466    0.0000 O   0  0
   -5.0748   -3.1936    0.0000 O   0  0
   -0.1836   -5.5041    0.0000 C   0  0
    1.2867   -5.8051    0.0000 C   0  0
    1.7620   -7.2287    0.0000 C   0  0
    3.2324   -7.5297    0.0000 C   0  0
    3.7075   -8.9525    0.0000 C   0  0
    3.8957   -6.7814    0.0000 C   0  0
    0.8110   -4.3792    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    2.1651    0.2500    0.0000 C   0  0
    2.2090   -0.3353    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  6
  9  8  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  9  1  0
 13 15  1  6
 15 16  1  0
 12 17  1  1
 11 18  1  6
 10 19  1  1
 20 19  1  1
 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  1
 26 27  1  0
 23 28  1  6
 22 29  1  1
 21 30  1  6
  7 31  1  0
 31 32  1  0
 32  4  1  0
  6 33  1  0
  6 34  1  0
  5 35  1  6
 35 36  1  0
 36  2  1  0
  4 37  1  6
  3 38  1  6
 38 39  1  0
 40 39  1  1
 40  1  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 44 43  1  6
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 44  1  0
 48 50  1  6
 50 51  1  0
 47 52  1  1
 46 53  1  6
 45 54  1  1
 42 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  2  3
 58 59  1  0
 58 60  1  0
 42 61  1  1
 41 62  1  6
 62 63  1  0
 63  1  1  0
 39 64  1  6
  2 65  1  6
  1 66  1  1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25230

> <plate>
PLATE 002

> <well>
C3

> <supplier_cmpd_name>
Ginsenoside Rd

> <ctcr_id>
11893

> <supplier_cmpd_id>
T2878

> <smiles>
[C@@]12([C@]3([C@@H]([C@@]4([C@H](C([C@@H](O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)CC4)(C)C)CC3)C)C[C@H]([C@@H]1[C@@H]([C@@](O[C@H]1[C@@H]([C@H]([C@@H](
[C@H](O1)CO)O)O)O)(CCC=C(C)C)C)CC2)O)C)C

> <pd_targets>
{PRKAA2,PRKAB1,PRKAG1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase CAMK1 family","CAMK protein kinase AMPK subfamily"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{"Gypenoside VIII",UNII-WB232T95AV,UNIIWB232T95AV,CHEMBL473659,WB232T95AV,CHEBI:67988,GS-Rd,GSRd,G-Rd,GRd,"(20S)-ginsenoside Rd","(20S)ginsenoside Rd",(GS)-Rd,(GS)Rd,SCHEMBL669260,HMS3885A14,HY-N0043,
HYN0043,"EINECS 258-118-5","EINECS 2581185",BDBM50317539,s3931,AKOS037514671,ZINC253387933,CCG-270588,CCG270588,CS-3839,CS3839,C20725,T2878,"Ginsenoside Rd"}

> <pdid>
PD018680

> <targets>
{"Calcium Channel",COX,P450,NF-¦ÊB}

> <classes>
{Immunology/Inflammation,"Membrane Transporter/Ion Channel",Metabolism,NF-¦ÊB}

> <pubchem_cids>
{11679800}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25231

> <plate>
PLATE 002

> <well>
C4

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 17 19  0  0  1  0            999 V2000
   -4.5899    0.7511    0.0000 C   0  0
   -3.2934    1.5055    0.0000 C   0  0
   -3.2990    3.0055    0.0000 C   0  0
   -1.9900    0.7600    0.0000 C   0  0
   -1.9900   -0.6700    0.0000 C   0  0
   -0.7500    0.0400    0.0000 C   0  0  1  0  0  0
   -1.7800    2.5000    0.0000 O   0  0
   -0.7500    1.4800    0.0000 C   0  0  1  0  0  0
   -0.4900    0.5144    0.0000 O   0  0
    0.6800    1.4800    0.0000 C   0  0
    1.9300    0.7600    0.0000 C   0  0
    3.4300    0.7600    0.0000 C   0  0
    0.6800    0.0400    0.0000 C   0  0
    1.1200   -1.3200    0.0000 C   0  0
    0.0000   -2.1700    0.0000 C   0  0
   -1.1900   -1.3200    0.0000 C   0  0
   -2.6144   -1.7902    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  4  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13  6  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16  6  1  0
 16 17  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25232

> <plate>
PLATE 002

> <well>
C5

> <supplier_cmpd_name>
Curcumol

> <ctcr_id>
7784

> <supplier_cmpd_id>
T2853

> <smiles>
CC(C)C1C[C@@]23O[C@]1(O)CC(=C)C2CCC3C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{JAK1,JAK2,JAK3}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{W219224,SW219224-1,SW2192241,S2407,Curcumol}

> <pdid>
PD012050

> <targets>
{Apoptosis}

> <classes>
{Apoptosis}

> <pubchem_cids>
{71545751}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 52 56  0  0  1  0            999 V2000
    9.0989   -3.7395    0.0000 O   0  0
    7.7998   -2.9895    0.0000 C   0  0
    6.5010   -3.7399    0.0000 O   0  0
    7.8003   -1.4887    0.0000 C   0  0  1  0  0  0
    9.0990   -0.7364    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
   11.6994   -0.7342    0.0000 C   0  0
   12.9984   -1.4841    0.0000 C   0  0
   12.9985   -2.9841    0.0000 C   0  0
   14.2975   -3.7341    0.0000 O   0  0
   11.6994   -3.7342    0.0000 C   0  0
   11.6995   -5.2342    0.0000 O   0  0
   10.4004   -2.9842    0.0000 C   0  0
    6.4990   -0.7409    0.0000 O   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 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    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
   -2.4133   -1.7530    0.0000 O   0  0
   -1.8032   -3.1233    0.0000 C   0  0  1  0  0  0
   -0.3114   -2.9665    0.0000 C   0  0  1  0  0  0
    0.6890   -4.0818    0.0000 C   0  0
    2.1567   -3.7722    0.0000 O   0  0
    0.2235   -5.5086    0.0000 O   0  0
    1.2256   -6.6258    0.0000 C   0  0  2  0  0  0
    0.7601   -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
    2.3029  -11.7111    0.0000 C   0  0
    3.7701  -11.3990    0.0000 C   0  0
    4.7739  -12.5135    0.0000 O   0  0
    4.2334   -9.9723    0.0000 C   0  0
    5.7005   -9.6602    0.0000 O   0  0
    3.2295   -8.8577    0.0000 C   0  0
    2.6948   -6.3191    0.0000 C   0  0
    3.1630   -4.8940    0.0000 O   0  0
    3.6951   -7.4368    0.0000 O   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
   -2.7504   -7.0088    0.0000 C   0  0
   -4.2462   -6.8960    0.0000 C   0  0
   -5.0918   -8.1349    0.0000 O   0  0
   -4.8963   -5.5442    0.0000 C   0  0
   -6.3920   -5.4313    0.0000 O   0  0
   -4.0507   -4.3053    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  6
  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
 11 13  2  0
 13  6  1  0
  4 14  1  0
 14 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 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  6
 28 29  2  0
 28 30  1  0
 31 30  1  1
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  2  0
 40 33  1  0
 31 41  1  0
 41 42  1  0
 41 43  2  0
 27 44  1  0
 44 19  1  0
 44 24  2  0
 26 45  1  1
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 48 50  1  0
 50 51  1  0
 50 52  2  0
 52 45  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25233

> <plate>
PLATE 002

> <well>
C6

> <supplier_cmpd_name>
Salvianolic acid B

> <ctcr_id>
11159

> <supplier_cmpd_id>
T2727

> <smiles>
OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)\C=C\c1ccc(O)c2O[C@@H]([C@@H](C(=O)O[C@H](Cc3ccc(O)c(O)c3)C(O)=O)c12)c1ccc(O)c(O)c1

> <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>
{MMP9}

> <broad_moa>
{"EGFR inhibitor","metalloproteinase inhibitor"}

> <synonyms>
{"Salvianolic acid B","Danfensuan B","Dan Shen Suan B","Lithospermic acid B","Lithospermate B",121521-90-2,121521902,UNII-C1GQ844199,UNIIC1GQ844199,C1GQ844199,115939-25-8,115939258,"Monardic acid B",C
HEMBL1615434,SCHEMBL19512041,CHEBI:134301,HY-N1362,HYN1362,ZINC3915684,"Dan She",T2727}

> <pdid>
PD017608

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{6451084}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25234

> <plate>
PLATE 002

> <well>
C7

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 67 74  0  0  1  0            999 V2000
    3.8973    3.7504    0.0000 C   0  0  2  0  0  0
    2.5983    3.0004    0.0000 C   0  0  2  0  0  0
    1.2993    3.7504    0.0000 C   0  0  1  0  0  0
    1.2992    5.2504    0.0000 C   0  0  1  0  0  0
    2.5983    6.0004    0.0000 C   0  0  1  0  0  0
    3.8973    5.2504    0.0000 C   0  0
    2.5983    7.5004    0.0000 O   0  0
    0.0002    6.0004    0.0000 O   0  0
    1.3357    2.2704    0.0000 C   0  0
    0.0755    1.4568    0.0000 O   0  0
    0.0190    4.5320    0.0000 C   0  0
    2.5983    1.5004    0.0000 C   0  0
    3.8973    0.7504    0.0000 C   0  0
    5.1964    1.5004    0.0000 C   0  0  2  0  0  0
    5.1964    3.0004    0.0000 C   0  0  2  0  0  0
    6.4954    3.7504    0.0000 C   0  0
    7.7945    3.0004    0.0000 C   0  0
    7.7945    1.5004    0.0000 C   0  0
    6.4954    0.7504    0.0000 C   0  0  1  0  0  0
    6.4954   -0.7496    0.0000 C   0  0
    7.7945   -1.4996    0.0000 C   0  0
    9.0935   -0.7496    0.0000 C   0  0  2  0  0  0
    9.0935    0.7504    0.0000 C   0  0  1  0  0  0
   10.3925    1.5005    0.0000 C   0  0  2  0  0  0
   11.6916    0.7505    0.0000 C   0  0  1  0  0  0
   11.6916   -0.7495    0.0000 C   0  0
   10.3926   -1.4995    0.0000 C   0  0
   12.9906    1.5005    0.0000 C   0  0
   10.3925    3.0005    0.0000 C   0  0
    7.7938    0.0009    0.0000 C   0  0
    7.7942    1.5009    0.0000 O   0  0
    6.4935   -0.7487    0.0000 O   0  0
    6.4916   -2.2496    0.0000 C   0  0  1  0  0  0
    7.7882   -3.0039    0.0000 C   0  0  1  0  0  0
    7.7832   -4.5039    0.0000 C   0  0  2  0  0  0
    6.4817   -5.2496    0.0000 C   0  0  1  0  0  0
    5.1852   -4.4954    0.0000 C   0  0  2  0  0  0
    5.1901   -2.9954    0.0000 O   0  0
    3.8845   -5.2442    0.0000 C   0  0
    3.8817   -6.7450    0.0000 O   0  0
    2.5810   -7.4938    0.0000 C   0  0  1  0  0  0
    2.5760   -8.9938    0.0000 C   0  0  1  0  0  0
    1.2745   -9.7395    0.0000 C   0  0  2  0  0  0
   -0.0221   -8.9853    0.0000 C   0  0  1  0  0  0
   -0.0172   -7.4853    0.0000 C   0  0  2  0  0  0
    1.2843   -6.7396    0.0000 O   0  0
   -1.3160   -6.7333    0.0000 C   0  0
   -2.6165   -7.4809    0.0000 O   0  0
   -1.3228   -9.7341    0.0000 O   0  0
   -1.3255  -11.2349    0.0000 C   0  0  1  0  0  0
   -2.6244  -11.9853    0.0000 C   0  0  1  0  0  0
   -2.6242  -13.4853    0.0000 C   0  0  1  0  0  0
   -1.3250  -14.2350    0.0000 C   0  0  2  0  0  0
   -0.0261  -13.4848    0.0000 C   0  0  1  0  0  0
   -0.0264  -11.9848    0.0000 O   0  0
    1.2731  -14.2346    0.0000 C   0  0
   -1.3247  -15.7350    0.0000 O   0  0
   -3.9231  -14.2355    0.0000 O   0  0
   -3.9236  -11.2356    0.0000 O   0  0
    1.2696  -11.2395    0.0000 O   0  0
    3.8725   -9.7481    0.0000 O   0  0
    6.4768   -6.7496    0.0000 O   0  0
    9.0798   -5.2582    0.0000 O   0  0
    9.0897   -2.2583    0.0000 O   0  0
    5.1964    0.0004    0.0000 C   0  0
    6.4954    2.2504    0.0000 C   0  0
    5.1964    4.5004    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  6
  4  8  1  6
  3  9  1  0
  9 10  1  0
  3 11  1  1
  2 12  1  1
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15  1  1  0
 15 16  1  1
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 14  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  6
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 25 28  1  6
 24 29  1  1
 22 30  1  1
 30 31  2  0
 30 32  1  0
 33 32  1  1
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 33  1  0
 37 39  1  1
 39 40  1  0
 41 40  1  1
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 41  1  0
 45 47  1  1
 47 48  1  0
 44 49  1  6
 50 49  1  6
 50 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 50  1  0
 54 56  1  1
 53 57  1  6
 52 58  1  1
 51 59  1  1
 43 60  1  1
 42 61  1  6
 36 62  1  6
 35 63  1  1
 34 64  1  6
 19 65  1  6
 14 66  1  1
  1 67  1  1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25235

> <plate>
PLATE 002

> <well>
C8

> <supplier_cmpd_name>
Asiaticoside

> <ctcr_id>
11720

> <supplier_cmpd_id>
T3025

> <smiles>
[C@]12([C@H]([C@@]([C@@H]([C@@H](C1)O)O)(CO)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2[C@H]([C@@H](CC1)C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]1[C@
@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)O)O)C)C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"anti-inflammatory agent"}

> <synonyms>
{T3025,Asiaticoside}

> <pdid>
PD000690

> <targets>
{p38 MAPK,TGF¦Â1,Apoptosis,Endogenous Metabolite,Reactive Oxygen Species,TGF-beta/Smad}

> <classes>
{MAPK,Stem Cells,Apoptosis,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB,Stem Cell/Wnt,TGF-beta/Smad}

> <pubchem_cids>
{133640195}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 44 48  0  0  1  0            999 V2000
   -0.0030   -2.9951    0.0000 O   0  0
    1.2935   -3.7495    0.0000 C   0  0  1  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
    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
    1.2883   -5.2495    0.0000 C   0  0  2  0  0  0
   -0.0133   -5.9950    0.0000 O   0  0
    2.5796   -7.5040    0.0000 O   0  0
    5.1851   -6.0107    0.0000 C   0  0
    6.4856   -5.2633    0.0000 O   0  0
    2.5973   -1.5031    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
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -2.5981    3.0000    0.0000 C   0  0  2  0  0  0
   -3.8971    3.7500    0.0000 C   0  0  1  0  0  0
   -5.1962    3.0000    0.0000 C   0  0  2  0  0  0
   -5.1962    1.5000    0.0000 C   0  0  1  0  0  0
   -3.8971    0.7500    0.0000 C   0  0
   -6.4952    0.7500    0.0000 O   0  0
   -6.2918    4.0165    0.0000 C   0  0  1  0  0  0
   -7.7605    3.7195    0.0000 C   0  0  1  0  0  0
   -8.7527    4.8444    0.0000 O   0  0
   -8.2392    2.2971    0.0000 C   0  0
   -9.7103    1.9996    0.0000 C   0  0
  -10.1891    0.5772    0.0000 C   0  0
  -11.6601    0.2797    0.0000 C   0  0
  -12.1386   -1.1419    0.0000 C   0  0
  -12.6524    1.4046    0.0000 C   0  0
   -9.2308    3.4229    0.0000 C   0  0
   -5.6730    5.3829    0.0000 C   0  0
   -4.1822    5.2166    0.0000 C   0  0
   -3.0830    4.3307    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -2.5981    4.0000    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    0.0000    0.0000 C   0  0
    1.2636    2.2496    0.0000 C   0  0
    2.5801   -0.0303    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  0
  7  2  1  0
  7  8  1  6
  6  9  1  1
  5 10  1  6
 10 11  1  0
  3 12  1  6
 13 12  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 20 19  1  6
 20 21  1  0
 21 22  1  0
 17 22  1  1
 21 23  1  1
 20 24  1  0
 24 25  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  3
 30 31  1  0
 30 32  1  0
 25 33  1  0
 24 34  1  1
 34 35  1  0
 35 19  1  0
 19 36  1  6
 18 37  1  0
 37 38  1  0
 15 38  1  1
 18 39  1  1
 16 40  1  0
 40 41  1  0
 41 13  1  0
 16 42  1  1
 14 43  1  0
 14 44  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25236

> <plate>
PLATE 002

> <well>
C9

> <supplier_cmpd_name>
Ginsenoside Rh2

> <ctcr_id>
11521

> <supplier_cmpd_id>
T2959

> <smiles>
O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)O[C@@H]1C([C@H]2[C@@]([C@@H]3[C@]([C@]4([C@H]([C@@H](C3)O)[C@@H]([C@@](O)(CCC=C(C)C)C)CC4)C)(CC2)C)(CC1)C)(C)C

> <pd_targets>
{KCNH2}

> <pathway_gtopdb>
{"Ion channel","Voltage-gated ion channel","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"}

> <broad_targets>
{KCNH2}

> <broad_moa>
{"angiogenesis inhibitor","apoptosis stimulant"}

> <synonyms>
{"Ginsenoside Rh2",78214-33-2,78214332,"(20S)-ginsenoside Rh2","(20S)ginsenoside Rh2","20(S)-Ginsenoside Rh2","20(S)Ginsenoside Rh2",Ginsenoside-Rh2,GinsenosideRh2,20(S)-Ginsenoside,20(S)Ginsenoside,C
HEBI:77147,UNII-0JU44A5KWG,UNII0JU44A5KWG,0JU44A5KWG,C36H62O8,"20S-Ginsenoside Rh2","20SGinsenoside Rh2",20(S)-Ginsenoside-RH2,20(S)GinsenosideRH2,(S)Ginsenoside-Rh2,(S)GinsenosideRh2,(20R)Ginsenosi,T
2959,T3813}

> <pdid>
PD052637

> <targets>
{EGFR}

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

> <pubchem_cids>
{119307}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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
    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
   -2.7248   -1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0  2  0  0  0
   -4.9999    0.6697    0.0000 C   0  0
   -6.2788   -0.1141    0.0000 C   0  0
   -6.2395   -1.6136    0.0000 C   0  0
   -7.3272   -2.6454    0.0000 C   0  0
   -8.8214   -2.5272    0.0000 C   0  0
   -9.6710   -3.7634    0.0000 C   0  0
   -9.0252   -5.1173    0.0000 C   0  0
   -9.8748   -6.3535    0.0000 C   0  0
   -9.2290   -7.7073    0.0000 C   0  0
  -10.0786   -8.9435    0.0000 O   0  0
   -7.7336   -7.8250    0.0000 C   0  0
   -6.8841   -6.5888    0.0000 C   0  0
   -7.5299   -5.2349    0.0000 C   0  0  1  0  0  0
   -6.0345   -5.3523    0.0000 C   0  0
   -6.6814   -3.9993    0.0000 C   0  0
   -5.1942   -3.8035    0.0000 C   0  0
   -4.9213   -2.3293    0.0000 C   0  0
   -3.6424   -1.5456    0.0000 C   0  0
   -2.3422   -2.2936    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0  1  0  0  0
   -3.1882    2.6401    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
  6  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
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  0
 18 19  1  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
 25 26  1  0
 26 12  1  0
 26 27  2  3
 27  9  1  0
 27 28  1  0
  9 29  1  0
 29  5  1  0
 29 30  1  1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25237

> <plate>
PLATE 002

> <well>
C10

> <supplier_cmpd_name>
Cyclopamine

> <ctcr_id>
7898

> <supplier_cmpd_id>
T2825

> <smiles>
CC1CNC2C(C1)O[C@@]3(CCC4C5CC=C6CC(O)CC[C@]6(C)C5CC4=C3C)[C@H]2C

> <pd_targets>
{SMO,SHH,GLI1}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein","Transcription factor","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,"Signal Transduction","Cilium Assembly","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Hedgehog","Carg
o trafficking to the periciliary membrane","Hh mutants abrogate ligand secretion","Hedgehog 'off' state","BBSome-mediated cargo-targeting to cilium","HHAT G278V doesn't palmitoylate Hh-Np","Degradatio
n of GLI1 by the proteasome"}

> <broad_targets>
{}

> <broad_moa>
{"hedgehog pathway inhibitor"}

> <synonyms>
{CYCLOPAMINE,11-Deoxojervine,11Deoxojervine,4449-51-8,4449518,11-Deoxyjervine,11Deoxyjervine,UNII-ZH658AJ192,UNIIZH658AJ192,CHEBI:4021,CHEMBL254129,ZH658AJ192,"(3beta,22S,23R)-17,23-epoxyveratraman-3-
ol","(3beta,22S,23R)17,23epoxyveratraman3ol","HSDB 3505",CY8,(3H)-Cyclopamine,(3H)Cyclopamine,"Jervine, 11-deoxo-","Jervine, 11deoxo",DSSTox_CID_23709,DSSToxCID23709,DSSTox-CID-23709,"DSSTox CID 23709
",DSSTox_RID_80067,DSSToxRID80067,DSSTox-RID-80067,"DSSTox RID 80067",DSSTo,S1146,Cyclopamine}

> <pdid>
PD001190

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{442972}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 23 25  0  0  1  0            999 V2000
   -3.2054    1.9286    0.0000 C   0  0
   -1.7200    1.7200    0.0000 C   0  0  1  0  0  0
   -1.1200    0.3000    0.0000 C   0  0
    0.3628    0.0734    0.0000 O   0  0
   -2.1200   -0.8800    0.0000 O   0  0
   -1.5600   -2.2900    0.0000 C   0  0  2  0  0  0
   -2.4600   -3.5300    0.0000 C   0  0
   -1.5600   -4.7600    0.0000 C   0  0
   -0.1100   -4.2900    0.0000 N   0  0
    1.3400   -4.7800    0.0000 C   0  0
    2.2300   -3.5900    0.0000 C   0  0
    1.3300   -2.3100    0.0000 C   0  0
    1.9900   -0.9400    0.0000 C   0  0
    1.1200    0.3100    0.0000 O   0  0
    1.8100    1.6900    0.0000 C   0  0
    3.3041    1.8227    0.0000 O   0  0
    0.9000    2.9100    0.0000 C   0  0  2  0  0  0
    0.0395    4.1387    0.0000 C   0  0
    2.3993    2.9550    0.0000 O   0  0
   -0.7600    2.9100    0.0000 C   0  0  1  0  0  0
   -0.1544    1.5377    0.0000 C   0  0
   -2.2583    2.9809    0.0000 O   0  0
   -0.1100   -2.7600    0.0000 C   0  0  2  0  0  0
  2  1  1  6
  2  3  1  0
  3  4  2  0
  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  3
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  6
 17 19  1  0
 17 20  1  0
 20  2  1  0
 20 21  1  6
 20 22  1  0
 23 12  1  1
 23  6  1  0
 23  9  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25238

> <plate>
PLATE 002

> <well>
C11

> <supplier_cmpd_name>
Monocrotaline

> <ctcr_id>
470

> <supplier_cmpd_id>
T2803

> <smiles>
C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23

> <pd_targets>
{AMPC}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"antitumor agent"}

> <synonyms>
{monocrotaline,315-22-0,315220,Crotaline,Monocrotalin,UNII-73077K8HYV,UNII73077K8HYV,CHEBI:6980,"Retronecine cyclic 2,3-dihydroxy-2,3,4-trimethylglutarate","Retronecine cyclic 2,3dihydroxy2,3,4trimeth
ylglutarate","14,19-Dihydro-12,13-dihydroxy-20-norcrotolanan-11,15-dione","14,19Dihydro12,13dihydroxy20norcrotolanan11,15dione",73077K8HYV,"NSC 28693",NCGC00164256-01,NCGC0016425601,NCI-C564,NCIC564,T
2803,1502252,Monocrotaline,MONOCROTALINE}

> <pdid>
PD001333

> <targets>
{Others}

> <classes>
{antineoplastic,insect sterilant,Others}

> <pubchem_cids>
{9415}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 92 93  0  0  0  0            999 V2000
   31.8797   -7.1036    0.0000 Na  0  3
   29.3797   -7.1036    0.0000 Na  0  3
   26.8797   -7.1036    0.0000 Na  0  3
   24.3797   -7.1036    0.0000 Na  0  3
   21.8797   -7.1036    0.0000 Na  0  3
   19.3797   -7.1036    0.0000 Na  0  3
    9.0796   -4.2149    0.0000 C   0  0
    9.0762   -5.2149    0.0000 C   0  0
    7.7746   -5.9604    0.0000 C   0  0
    7.7694   -7.4604    0.0000 C   0  0
    9.0659   -8.2148    0.0000 C   0  0
   10.3675   -7.4693    0.0000 C   0  0
   10.3727   -5.9692    0.0000 C   0  0
   11.6765   -5.2260    0.0000 N   0  0
   12.9726   -5.9826    0.0000 C   0  0
   12.9649   -7.4826    0.0000 O   0  0
   14.2765   -5.2393    0.0000 C   0  0
   15.5730   -5.9938    0.0000 C   0  0
   16.8745   -5.2482    0.0000 C   0  0
   16.8797   -3.7482    0.0000 C   0  0
   15.5832   -2.9937    0.0000 C   0  0
   15.5853   -1.4929    0.0000 N   0  0
   14.2870   -0.7398    0.0000 C   0  0
   12.9867   -1.4876    0.0000 O   0  0
   14.2891    0.7610    0.0000 N   0  0
   12.9908    1.5140    0.0000 C   0  0
   12.9908    3.0140    0.0000 C   0  0
   11.6917    3.7639    0.0000 C   0  0
   10.3927    3.0139    0.0000 C   0  0
   10.3927    1.5139    0.0000 C   0  0
   11.6918    0.7639    0.0000 C   0  0
    9.0945    0.7607    0.0000 C   0  0
    7.7941    1.5084    0.0000 O   0  0
    9.0967   -0.7401    0.0000 N   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
    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
    8.6645   -3.4932    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 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
    1.2998   -3.7504    0.0000 S   0  0
    2.5986   -3.0000    0.0000 O   0  5
    1.3007   -5.2504    0.0000 O   0  0
    2.5992   -4.4998    0.0000 O   0  0
   -3.8978   -3.7504    0.0000 S   0  0
   -3.8973   -5.2504    0.0000 O   0  5
   -5.1973   -3.0013    0.0000 O   0  0
   -5.1965   -4.5011    0.0000 O   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  5
   -2.5998    3.0004    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   14.2816   -3.7394    0.0000 C   0  0
    9.0638   -9.7157    0.0000 C   0  0
    7.7635  -10.4635    0.0000 O   0  0
   10.3620  -10.4687    0.0000 N   0  0
   10.3600  -11.9695    0.0000 C   0  0
    9.0583  -12.7152    0.0000 C   0  0
    9.0532  -14.2152    0.0000 C   0  0
   10.3497  -14.9696    0.0000 C   0  0
   11.6513  -14.2240    0.0000 C   0  0
   12.9478  -14.9785    0.0000 C   0  0
   14.2494  -14.2329    0.0000 C   0  0
   14.2545  -12.7329    0.0000 C   0  0
   12.9580  -11.9785    0.0000 C   0  0
   11.6564  -12.7240    0.0000 C   0  0
   12.9631  -10.4777    0.0000 S   0  0
   11.6664   -9.7236    0.0000 O   0  5
   14.2642   -9.7313    0.0000 O   0  0
   12.9675   -8.9777    0.0000 O   0  0
   15.5465  -14.9877    0.0000 S   0  0
   16.8479  -14.2417    0.0000 O   0  5
   15.5424  -16.4877    0.0000 O   0  0
   16.8434  -15.7415    0.0000 O   0  0
   10.3446  -16.4704    0.0000 S   0  0
   11.6413  -17.2244    0.0000 O   0  5
    9.0435  -17.2168    0.0000 O   0  0
   10.3402  -17.9704    0.0000 O   0  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
 13 14  1  0
 14 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 22  1  0
 22 23  1  0
 23 24  2  0
 23 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
 30 32  1  0
 32 33  2  0
 32 34  1  0
 34 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
 40 41  1  0
 37 42  1  0
 42 43  2  0
 42 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  2  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 54 45  1  0
 54 49  1  0
 53 55  1  0
 55 56  1  0
 55 57  2  0
 55 58  2  0
 51 59  1  0
 59 60  1  0
 59 61  2  0
 59 62  2  0
 48 63  1  0
 63 64  1  0
 63 65  2  0
 63 66  2  0
 21 67  2  0
 67 17  1  0
 11 68  1  0
 68 69  2  0
 68 70  1  0
 70 71  1  0
 71 72  2  0
 72 73  1  0
 73 74  2  0
 74 75  1  0
 75 76  2  0
 76 77  1  0
 77 78  2  0
 78 79  1  0
 79 80  2  0
 80 71  1  0
 80 75  1  0
 79 81  1  0
 81 82  1  0
 81 83  2  0
 81 84  2  0
 77 85  1  0
 85 86  1  0
 85 87  2  0
 85 88  2  0
 74 89  1  0
 89 90  1  0
 89 91  2  0
 89 92  2  0
M  CHG  8   1   1   2   1   3   1   4   1   5   1   6   1  56  -1  60  -1
M  CHG  4  64  -1  82  -1  86  -1  90  -1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25239

> <plate>
PLATE 002

> <well>
D2

> <supplier_cmpd_name>
Suramin Sodium Salt

> <ctcr_id>
1818

> <supplier_cmpd_id>
T2160

> <smiles>
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].Cc1ccc(cc1NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6cc(cc(c56)[S]([O-])(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O)c2)C(=O)Nc7ccc(c8cc(cc(c78)[S]([O-]
)(=O)=O)[S]([O-])(=O)=O)[S]([O-])(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HY-B0879A,HYB0879A,CS-4445,CS4445,"SURAMIN SODIUM",129-46-4,129464,"suramin hexasodium salt","Suramin hexasodium","Suramin sodium salt",Antrypol,Moranyl,"Fourneau 309",Naganin,Naganine,"Suramine sodi
um","Naphuride sodium","Suramin (sodium salt)","Suramin Hexasodium (USA",T2160,1502032,"Suramin Sodium Salt",SURAMIN}

> <pdid>

> <targets>
{Apoptosis,Parasite,Phosphatase,Reverse Transcriptase,SARS-CoV,Sirtuin,Topoisomerase}

> <classes>
{trypanocidal,antiviral,antiprotozoal,Anti-infection,Apoptosis,Cell Cycle/DNA Damage,Epigenetics,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5360,8514,101303499}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 55 60  0  0  1  0            999 V2000
    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  1  0  0  0
    2.5847   -6.0040    0.0000 C   0  0  2  0  0  0
    3.8864   -5.2585    0.0000 C   0  0  1  0  0  0
    3.8915   -3.7585    0.0000 C   0  0  1  0  0  0
    5.1954   -3.0153    0.0000 O   0  0
    6.4915   -3.7721    0.0000 C   0  0  2  0  0  0
    6.4811   -5.2721    0.0000 O   0  0
    7.7749   -6.0311    0.0000 C   0  0  2  0  0  0
    9.0792   -5.2901    0.0000 C   0  0  1  0  0  0
    9.0896   -3.7902    0.0000 C   0  0  2  0  0  0
    7.7958   -3.0312    0.0000 C   0  0  1  0  0  0
    7.8062   -1.5312    0.0000 O   0  0
   10.3938   -3.0492    0.0000 O   0  0
   10.3730   -6.0491    0.0000 O   0  0
    7.7645   -7.5311    0.0000 C   0  0
    5.1828   -6.0130    0.0000 O   0  0
    2.5796   -7.5040    0.0000 O   0  0
   -0.0156   -5.9928    0.0000 C   0  0
   -1.3109   -5.2364    0.0000 O   0  0
    2.5973   -1.5031    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 C   0  0  1  0  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
   -2.5981   -1.5000    0.0000 C   0  0  1  0  0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -3.8971    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -4.9928   -1.7666    0.0000 C   0  0  1  0  0  0
   -6.4614   -1.4696    0.0000 C   0  0  1  0  0  0
   -7.4537   -2.5945    0.0000 O   0  0
   -6.9402   -0.0472    0.0000 C   0  0
   -8.4112    0.2503    0.0000 C   0  0
   -8.8900    1.6727    0.0000 C   0  0
  -10.3611    1.9702    0.0000 C   0  0
  -10.8396    3.3918    0.0000 C   0  0
  -11.3533    0.8453    0.0000 C   0  0
   -7.9318   -1.1730    0.0000 C   0  0
   -4.3739   -3.1330    0.0000 C   0  0
   -2.8831   -2.9666    0.0000 C   0  0
   -1.7840   -2.0807    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -1.7500    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  1  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5627    0.0004    0.0000 C   0  0
    3.8791    2.2803    0.0000 C   0  0
    3.8971    3.7500    0.0000 O   0  0
   -1.2991    2.2500    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  6
  8  7  1  1
  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  6
 12 15  1  6
 11 16  1  1
 10 17  1  6
  5 18  1  1
  4 19  1  6
  3 20  1  1
 20 21  1  0
  1 22  1  1
 23 22  1  1
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 29 28  1  1
 29 30  1  0
 30 31  1  0
 26 31  1  6
 30 32  1  6
 29 33  1  0
 33 34  1  0
 34 35  1  1
 34 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  2  3
 39 40  1  0
 39 41  1  0
 34 42  1  0
 33 43  1  6
 43 44  1  0
 44 28  1  0
 28 45  1  1
 27 46  1  0
 46 23  1  0
 27 47  1  6
 25 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 24 51  1  6
 51 52  1  0
 51 53  1  0
 50 54  1  6
 25 55  1  6
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25240

> <plate>
PLATE 002

> <well>
D3

> <supplier_cmpd_name>
Ginsenoside Rg2

> <ctcr_id>
11894

> <supplier_cmpd_id>
T2873

> <smiles>
[C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O)CO)O[C@@H]1[C@@H]2[C@@]([C@@H]3[C@]([C@]4([C@H]([C@@H](C3)O)[C@@H]([C@@](O)(CCC=C(C)C)C)CC4)C)(C1)C)(CC[C@@H](C2(C)C)O)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Ginsenoside RG2",52286-74-5,52286745,"Chikusetsusaponin I","Prosapogenin C2",UNII-5R89LAS235,UNII5R89LAS235,CHEBI:77151,5R89LAS235,MFCD00210511,"(20S)Ginsenoside Rg2",CHEMBL505747,HY-N0602,HYN0602,"
Ginsenoside Rg2, analytical standard",s9117,AKOS037514673,ZINC23880875,T2873,"Ginsenoside Rg2"}

> <pdid>
PD018632

> <targets>
{GSK-3¦Â}

> <classes>
{"PI3K/Akt/mTOR signaling","Stem Cells"}

> <pubchem_cids>
{21599924}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 35 38  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
   -5.2007    1.4909    0.0000 C   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
   -5.1821   -3.0099    0.0000 N   0  0
   -3.8787   -3.7540    0.0000 C   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 C   0  0
   -1.2805   -3.7360    0.0000 C   0  0
   -2.5847   -2.9950    0.0000 C   0  0
    0.0347   -5.9773    0.0000 N   0  0
    0.0475   -7.4773    0.0000 C   0  0
    1.3529   -8.2163    0.0000 C   0  0
    2.6455   -7.4552    0.0000 N   0  0
    2.6328   -5.9553    0.0000 C   0  0
    1.3274   -5.2164    0.0000 C   0  0
    3.9509   -8.1942    0.0000 C   0  0
   -5.1611   -6.0160    0.0000 O   0  0
   -5.1486   -7.5160    0.0000 C   0  0
   -5.2060    2.9909    0.0000 Cl  0  0
    0.0000    3.0008    0.0000 S   0  0
   -1.2993    3.7504    0.0000 O   0  0
   -0.0007    4.5008    0.0000 O   0  0
    1.2993    3.7521    0.0000 N   0  0
    1.2992    5.2521    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  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  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
 16 28  1  0
 28 29  1  0
  9 30  1  0
  3 31  1  0
 31 32  2  0
 31 33  2  0
 31 34  1  0
 34 35  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25241

> <plate>
PLATE 002

> <well>
D4

> <supplier_cmpd_name>
ALK inhibitor 2

> <ctcr_id>
11895

> <supplier_cmpd_id>
T3041

> <smiles>
c1cc(c(cc1)Nc1c(cnc(n1)Nc1c(cc(cc1)N1CCN(CC1)C)OC)Cl)S(=O)(=O)NC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"ALK inhibitor 2",761438-38-4,761438384,VC-8384,VC8384,"Alk inhibitor2",C23H28ClN7O3S,DTXSID10735356,EX-A497,EXA497,BCP10286,3434AH,MFCD23380589,ZINC95641925,AKOS026750636,CS-0796,CS0796,NCGC00378875
-01,NCGC0037887501,BS-17522,BS17522,HY-15358,HY15358,FT-0700361,FT0700361,A14988,W-6015,W6015,J-690349,J690349,T3041}

> <pdid>
PD012593

> <targets>
{ALK}

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

> <pubchem_cids>
{66577032}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25242

> <plate>
PLATE 002

> <well>
D5

> <supplier_cmpd_name>
Selumetinib

> <ctcr_id>
2560

> <supplier_cmpd_id>
T6218

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25243

> <plate>
PLATE 002

> <well>
D6

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25244

> <plate>
PLATE 002

> <well>
D7

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 20 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
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   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 C   0  0
   -2.6531   -3.1237    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -4.2067    3.2905    0.0000 N   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -6.4462    1.8312    0.0000 O   0  0
   -3.9492    0.8772    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 10  1  0
  6 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 15  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25245

> <plate>
PLATE 002

> <well>
D8

> <supplier_cmpd_name>
Rolipram

> <ctcr_id>
4196

> <supplier_cmpd_id>
T6644

> <smiles>
COc1ccc(cc1OC2CCCC2)C3CNC(=O)C3

> <pd_targets>
{PDE4A,PDE4C,PDE4D,KMT2A,PDE4B,PDE5A,CYP3A4,MAPK1,KDM4E,BLM,TNF,PDE1A,PDE1B,PDE1C,CREBBP,MAPT,LEF,CYP1A2,ALOX15,LMNA,ALDH1A1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Secreted protein",Phosphodiesterase,Reader,Protease,"Cytochrome P450",Kinase,Eraser,"Phosphodiesterase 4",Bromodomain,"Phosphodiesterase 5","Cysteine protease","Cytochr
ome P450 family 3","Protein Kinase","Lysine demethylase","Phosphodiesterase 1","Phosphodiesterase 4A","Phosphodiesterase 4C","Phosphodiesterase 4D","Phosphodiesterase 4B","Phosphodiesterase 5A","Cyste
ine protease CA clan","Cytochrome P450 family 3A","CMGC protein kinase group","Jumonji domain-containing","Phosphodiesterase 1A","Cysteine protease C1A family","Cytochrome P450 3A4","CMGC protein kina
se MAPK family","CMGC protein kinase ERK1","Other cytosolic protein","Other nuclear protein",Writer,Oxidoreductase,"Histone acetyltransferase","Metallo protease","Cytochrome P450 family 1","p300/CBP f
amily","Metallo protease MAE clan","Cytochrome P450 family 1A","Metallo protease M34 family","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Cyclic nucleotide turnover/signalling","Chromatin modifying enzymes","Cytochrome P450","Kinases (EC 2.7.x.x)",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","2.1.1.43 Histone methyltran
sferases (HMTs)","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1.14.11.- Histone demethylases","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily","Other protein targets
","Bromodomain-containing proteins","Eicosanoid turnover","Non-enzymatic BRD containing proteins","CYP1 family",Lipoxygenases}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Hemostasis,Metabolism,"Immune System","DNA Repair","Signaling by GPCR","RNA Polymerase II Transcription","Platelet homeostasis","Metabolism of 
lipids","Innate Immune System","DNA Double-Strand Break Repair","Cytokine Signaling in Immune system","GPCR downstream signalling","Generic Transcription Pathway","Nitric oxide stimulates guanylate cy
clase","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Cascades","Homology Directed Repair","Signaling by Interleukins","G alpha (i) signalling events","Transcriptional
 regulation by RUNX1","cGMP effects","Biosynthesis of DHA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Interleukin
-10 signaling","Opioid Signalling","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","HDR 
through Homologous Recombination (HRR)","DARPP-32 events","Biosynthesis of maresin-like SPMs","MAP kinase activation","Homologous DNA Pairing and Strand Exchange","MAPK targets/ Nuclear events mediate
d by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","ERK/MAPK targets","ERKs are inactivated","Neuronal System",Disease,"Cell Cycle","Transmission across Chemical Synap
ses","Infectious disease","Biological oxidations",Mitotic,"Neurotransmitter receptors and postsynaptic signal transmission","Uptake and actions of bacterial toxins","Phase I - Functionalization of com
pounds","M Phase","Transcriptional Regulation by TP53","Activation of NMDA receptors and postsynaptic events","Uptake and function of anthrax toxins","Cytochrome P450 - arranged by substrate type","Bi
osynthesis of DPA-derived SPMs","Mitotic Metaphase and Anaphase","Ethanol oxidation","TP53 Regulates Transcription of Cell Death Genes","Post NMDA receptor activation events",Xenobiotics,"Biosynthesis
 of DPAn-3 SPMs","Mitotic Anaphase","TP53 Regulates Transcription of Genes Involved in Cytochrome C Release","Activation of AMPK downstream of NMDARs","Aromatic amines can be N-hydroxylated or N-dealk
ylated by CYP1A2","Biosynthesis of DPAn-3-derived protectins and resolvins","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{rolipram,61413-54-5,61413545,"ZK 62711","(R,S)-rolipram","(R,S)rolipram","Rolipramum (Latin)",(+/-)-Rolipram,(+/)Rolipram,4-(3-(cyclopentyloxy)-4-methoxyphenyl)pyrrolidin-2-one,4(3(cyclopentyloxy)4me
thoxyphenyl)pyrrolidin2one,Rolipramum,4-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-pyrrolidinone,4(3(Cyclopentyloxy)4methoxyphenyl)2pyrrolidinone,Adeo,ZK-62711,ZK62711,4-(3-cyclopentyloxy-4-m,4(3cyclopent
yloxy4m,T6644,SAM001246766,Prestw-924,S2127,Rolipram,CPD000058510,"S- (+)-Rolipram"}

> <pdid>
PD002618

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

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

> <pubchem_cids>
{5092}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 16 17  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    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 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
   -2.5981    1.5000    0.0000 O   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
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  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
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16  5  1  0
 16 12  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25246

> <plate>
PLATE 002

> <well>
D9

> <supplier_cmpd_name>
IBMX

> <ctcr_id>
5977

> <supplier_cmpd_id>
T1713

> <smiles>
CC(C)CN1C(=O)N(C)C(=O)c2[nH]cnc12

> <pd_targets>
{TSHR,ADORA1,ADORA2A,ADORA2B,PDE1A,PDE1B,PDE1C,ADORA3,MAPK1,PDE2A,PDE7A,PDE7B,CYP3A4,PDE3A,SCN1A,SCN2A,SCN3A,PDE4B,PDE5A,PDE4D,PDE3B,PDE4A,PDE4C,CYP1A2,PDE6C}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Ion channel","Family A G protein-coupled receptor",Phosphodiesterase,Kinase,"Cytochrome P450","Voltage-gated ion channel","Peptide receptor (family A GPCR)","Small molecul
e receptor (family A GPCR)","Phosphodiesterase 1","Protein Kinase","Phosphodiesterase 2","Phosphodiesterase 7","Cytochrome P450 family 3","Phosphodiesterase 3","Voltage-gated sodium channel","Phosphod
iesterase 4","Phosphodiesterase 5","Cytochrome P450 family 1","Glycohormone receptor","Nucleotide-like receptor (family A GPCR)","Phosphodiesterase 1A","CMGC protein kinase group","Phosphodiesterase 2
A","Phosphodiesterase 7A","Cytochrome P450 family 3A","Phosphodiesterase 3A","Phosphodiesterase 4B","Phosphodiesterase 5A","Phosphodiesterase 4D","Cytochrome P450 family 1A","Phosphodiesterase 3B","Ad
enosine receptor","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Cytochrome P450 1A1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Kinases (EC 2.7.x.x)","Cyclic nucleotide turnover/signalling","Cytochrome P450","Glycoprotein hormone receptors","Adenosine receptors","CMGC: Containi
ng CDK",MAPK,GSK3,"CLK families",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","CYP3 family","CYP1 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Disease,"Signal Transduction","Immune System",Hemostasis,Metabolism,"Infectious disease","Signaling by GPCR","Innate Immune System","Platelet homeostasis","Metabolism of lipids","Biological oxidation
s","Signaling by Receptor Tyrosine Kinases","Leishmania infection","GPCR ligand binding","Toll-like Receptor Cascades","Nitric oxide stimulates guanylate cyclase","Biosynthesis of specialized proresol
ving mediators (SPMs)","GPCR downstream signalling","Phase I - Functionalization of compounds","Signaling by Insulin receptor","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like rece
ptors)","Toll Like Receptor 5 (TLR5) Cascade","cGMP effects","Biosynthesis of DHA-derived SPMs","G alpha (s) signalling events","G alpha (i) signalling events","Cytochrome P450 - arranged by substrate
 type","Insulin receptor signalling cascade","Anti-inflammatory response favouring Leishmania parasite infection","Nucleotide-like (purinergic) receptors","MyD88 cascade initiated on plasma membrane",
"Biosynthesis of maresins","Opioid Signalling",Xenobiotics,"IRS-mediated signalling","ADORA2B mediated anti-inflammatory cytokines production","Adenosine P1 receptors","MAP kinase activation","Biosynt
hesis of maresin-like SPMs","DARPP-32 events","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","PI3K Cascade","MAPK targets/ Nuclear events mediated by MAP kinases","PKB-mediated eve
nts","ERK/MAPK targets","PDE3B signalling","ERKs are inactivated"}

> <broad_targets>
{ADORA1,PDE2A,PDE3B,PDE4D,PDE5A,PDE6G,PDE7A,PDE8A,PDE9A}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{3-Isobutyl-1-methylxanthine,3Isobutyl1methylxanthine,28822-58-4,28822584,isobutylmethylxanthine,1-METHYL-3-ISOBUTYLXANTHINE,1METHYL3ISOBUTYLXANTHINE,Methylisobutylxanthine,"3-isobutyl-1-methylxanthin
e (ibmx)","3isobutyl1methylxanthine (ibmx)","3-Isobutyl-1-methyl-1H-purine-2,6(3H,7H)-dione","3Isobutyl1methyl1Hpurine2,6(3H,7H)dione",1H-Purine-2,1HPurine2,6-dione,6dione,3,7-di,7di,T1713,1505298,230
0204,"3-ISOBUTYL-1-METHYLXANTHINE (IBMX)",ISOBUTYLMETHYLXANTHINE,IBMX}

> <pdid>
PD000069

> <targets>
{}

> <classes>
{"phosphodiesterase inhibitor"}

> <pubchem_cids>
{3758}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 45 49  0  0  1  0            999 V2000
    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  1  0  0  0
    3.8864   -5.2585    0.0000 C   0  0  2  0  0  0
    2.5847   -6.0040    0.0000 C   0  0  1  0  0  0
    1.2883   -5.2495    0.0000 C   0  0  1  0  0  0
   -0.0125   -5.9981    0.0000 C   0  0
   -0.0155   -7.4981    0.0000 O   0  0
    2.5796   -7.5040    0.0000 O   0  0
    5.1828   -6.0130    0.0000 O   0  0
    5.1932   -3.0130    0.0000 O   0  0
    2.5973   -1.5031    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    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0  2  0  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  0  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
   -2.5981   -1.5000    0.0000 C   0  0  1  0  0  0
   -3.8971   -0.7500    0.0000 C   0  0  1  0  0  0
   -4.9928   -1.7666    0.0000 C   0  0  2  0  0  0
   -4.3739   -3.1330    0.0000 C   0  0
   -2.8831   -2.9666    0.0000 C   0  0
   -6.4614   -1.4696    0.0000 C   0  0  1  0  0  0
   -7.4537   -2.5945    0.0000 O   0  0
   -6.9402   -0.0472    0.0000 C   0  0
   -8.4112    0.2503    0.0000 C   0  0
   -8.8900    1.6727    0.0000 C   0  0
  -10.3611    1.9702    0.0000 C   0  0
  -10.8396    3.3918    0.0000 C   0  0
  -11.3533    0.8453    0.0000 C   0  0
   -7.9318   -1.1730    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
   -5.1962    1.5000    0.0000 O   0  0
   -1.7840   -2.0807    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -1.7500    0.0000 C   0  0
   -1.2991    2.2500    0.0000 C   0  0
    3.8971    3.7500    0.0000 O   0  0
    2.5627    0.0004    0.0000 C   0  0
    3.8791    2.2803    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  1
  7  8  1  0
  5  9  1  6
  4 10  1  1
  3 11  1  6
  2 12  1  1
 13 12  1  1
 13 14  1  0
 14 15  1  6
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 23 22  1  1
 23 24  1  0
 24 25  1  6
 25 26  1  0
 26 22  1  0
 24 27  1  0
 27 28  1  1
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  3
 32 33  1  0
 32 34  1  0
 27 35  1  0
 23 36  1  0
 36 37  1  0
 20 37  1  6
 36 38  1  6
 22 39  1  1
 21 40  1  0
 40 13  1  0
 21 41  1  6
 19 42  1  6
 16 43  1  6
 15 44  1  0
 15 45  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25247

> <plate>
PLATE 002

> <well>
D10

> <supplier_cmpd_name>
Ginsenoside Rh1

> <ctcr_id>
11896

> <supplier_cmpd_id>
T2932

> <smiles>
O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)O[C@@H]1[C@H]2C([C@H](CC[C@@]2([C@@H]2[C@]([C@]3([C@@H]([C@H](CC3)[C@@](O)(CCC=C(C)C)C)[C@@H](C2)O)C)(C1)C)C)O)(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Ginsenoside Rh1",63223-86-9,63223869,"20(S)-Ginsenoside Rh1","20(S)Ginsenoside Rh1",UNII-XBR6F7G8FU,UNIIXBR6F7G8FU,XBR6F7G8FU,"Sanchinoside B2",MFCD09951797,ginsenoside-Rh1,ginsenosideRh1,"ginsenosi
de Rh(1)","ginsenoside G-Rh(1)","ginsenoside GRh(1)",C36H62O9,"GINSENOSIDE RH 1","(20S)-ginsenoside Rh1","(20S)ginsenoside Rh1",BIDD:ER0183,CHEM,T3793,T2932,"(20R)-Ginsenoside Rh1"}

> <pdid>
PD056340

> <targets>
{IL Receptor,PPAR,TNF Receptor,Endogenous Metabolite,Interleukin Related}

> <classes>
{Apoptosis,Cell Cycle/DNA Damage,Immunology/Inflammation,Metabolic Enzyme/Protease}

> <pubchem_cids>
{12855920}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 30 35  0  0  1  0            999 V2000
    1.3258   -1.4931    0.0000 C   0  0
    2.6400   -0.7700    0.0000 C   0  0  1  0  0  0
    3.8100   -1.3900    0.0000 C   0  0
    4.1081   -2.8601    0.0000 O   0  0
    4.3800   -0.6900    0.0000 O   0  0
    3.9700    0.2400    0.0000 C   0  0  2  0  0  0
    2.7300    0.3900    0.0000 C   0  0  1  0  0  0
    1.4800    0.0800    0.0000 C   0  0  2  0  0  0
    1.2700    2.6700    0.0000 C   0  0
    2.4490    3.5973    0.0000 O   0  0
    0.2400    3.0100    0.0000 O   0  0
   -0.5100    1.5800    0.0000 C   0  0  2  0  0  0
    0.6600    0.8400    0.0000 C   0  0
    2.7300    1.5000    0.0000 C   0  0  2  0  0  0
    3.0900    2.9562    0.0000 O   0  0
   -0.7600    0.3600    0.0000 C   0  0
   -3.6100    0.9900    0.0000 C   0  0  1  0  0  0
   -1.5200    0.9900    0.0000 C   0  0
   -5.0763    1.0326    0.0000 C   0  0
   -5.8686   -0.2411    0.0000 C   0  0
   -5.7837    2.3554    0.0000 C   0  0
   -6.5755    1.0816    0.0000 C   0  0
   -1.9400   -0.6300    0.0000 C   0  0  1  0  0  0
   -1.7000   -1.8700    0.0000 C   0  0
   -2.6546   -3.0271    0.0000 O   0  0
   -0.6700   -1.8700    0.0000 O   0  0
    0.0000   -0.7300    0.0000 C   0  0  1  0  0  0
    1.1100   -0.8600    0.0000 O   0  0
   -3.3537   -0.1287    0.0000 O   0  0
    1.7607   -0.7548    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  2  0
  3  5  1  0
  6  5  1  6
  6  7  1  0
  7  2  1  0
  8  7  1  1
  8  9  1  0
  9 10  2  0
  9 11  1  0
 12 11  1  6
 12 13  1  0
 13  8  1  0
 13 14  1  0
 14  6  1  0
 14 15  1  6
 13 16  1  0
 16 17  1  0
 17 18  1  0
 18 12  1  0
 17 19  1  6
 19 20  1  0
 19 21  1  0
 19 22  1  0
 16 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 27 26  1  6
 27 16  1  0
 27 28  1  0
 28  8  1  0
 23 29  1  1
  7 30  1  1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25248

> <plate>
PLATE 002

> <well>
D11

> <supplier_cmpd_name>
Ginkgolide B

> <ctcr_id>
7824

> <supplier_cmpd_id>
T2751

> <smiles>
C[C@H]1C(=O)O[C@@H]2[C@]1([C@]34C(=O)O[C@@H]5C3([C@@H]2O)C6([C@@H](C5)C(C)(C)C)[C@@H](C(=O)O[C@H]6O4)O)O

> <pd_targets>
{PTAFR,GLRA1,GLRA2,GLRB,HTR3A,HTR3B,GLRA3,HSD17B10}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel","Family A G protein-coupled receptor","Ligand-gated ion channel","Small molecule receptor (family A GPCR)","Glycine receptor","Lipid-like ligand receptor (family A G
PCR)","PAF receptor",Enzyme,Oxidoreductase,"5HT3 receptor"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Ligand-gated ion channels","Platelet-activating factor receptor","Glycine receptors","5-HT<sub>3</sub> receptors"}

> <pathway_reactome>
{"Immune System","Neuronal System","Cytokine Signaling in Immune system","Transmission across Chemical Synapses","Interferon Signaling","Neurotransmitter receptors and postsynaptic signal transmission
","Interferon gamma signaling",Metabolism,"Metabolism of amino acids and derivatives","Branched-chain amino acid catabolism"}

> <broad_targets>
{GLRA1,GLRA2,GLRA3,GLRB,HTR3A,HTR3B}

> <broad_moa>
{"platelet activating factor receptor antagonist"}

> <synonyms>
{"Ginkgolide B",SW219939-1,SW2199391,BRD-A82395837-001-01-9,BRDA82395837001019,S1343}

> <pdid>
PD008872

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{129010073}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 27 29  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
   -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
  6  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 17 20  2  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  2  0
 26 13  1  0
 26 27  1  0
 27  9  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25249

> <plate>
PLATE 002

> <well>
E2

> <supplier_cmpd_name>
Tangeretin

> <ctcr_id>
1740

> <supplier_cmpd_id>
T2842

> <smiles>
COc1ccc(cc1)C2=CC(=O)c3c(OC)c(OC)c(OC)c(OC)c3O2

> <pd_targets>
{OPRD1,CYP3A4,OPRM1,ALDH1A1,KMT2A,MEN1,ABCG2,ABCB1}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Epigenetic regulator",Transporter,"Family A G protein-coupled receptor","Cytochrome P450",Oxidoreductase,Reader,"Primary active transporter","Peptide receptor (family A GP
CR)","Cytochrome P450 family 3",Bromodomain,"ATP-binding cassette","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","ABCG subfamily","ABCB subfamily","Opioid receptor","Cytochrome 
P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"G protein-coupled receptors","Cytochrome P450","ATP-binding cassette transporter family","Opioid receptors","CYP3 family","ABCG subfamily","ABCB subfamily"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Signaling by GPCR","Metabolism of lipids","Biological oxidations","Abacavir transport and metabolism","GPCR ligand binding","Biosynthesis of specialized proresolving
 mediators (SPMs)","GPCR downstream signalling","Phase I - Functionalization of compounds","Abacavir transmembrane transport","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs",
"G alpha (i) signalling events","Ethanol oxidation","Peptide ligand-binding receptors","Biosynthesis of maresins","Opioid Signalling","Biosynthesis of maresin-like SPMs","G-protein activation"}

> <broad_targets>
{}

> <broad_moa>
{"cell cycle inhibitor"}

> <synonyms>
{Tangeretin,481-53-8,481538,Tangeritin,Ponkanetin,Pentamethoxyflavone,"4',5,6,7,8-Pentamethoxyflavone","4',5,6,7,8Pentamethoxyflavone","5,6,7,8,4'-Pentamethoxyflavone","5,6,7,8,4'Pentamethoxyflavone",
"Tangeretin (6CI)","4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-","4H1Benzopyran4one, 5,6,7,8tetramethoxy2(4methoxyphenyl)",5,6,7,8-tetramethoxy-2-(4-met,8tetramethoxy2(4met,T2842,
1505269,TANGERITIN}

> <pdid>
PD000531

> <targets>
{Apoptosis,Notch}

> <classes>
{Apoptosis,Neuronal Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{68077}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 30 33  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
   -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
    1.2804    9.7540    0.0000 Br  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
   -2.6060   -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
   -1.3071   -9.7503    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  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
 11 13  1  0
 13 14  2  0
 14  8  1  0
 14 15  1  0
  6 16  1  0
 16 17  2  0
 17 18  1  0
 18 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
 27 29  1  0
 29 30  1  0
 30 24  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25250

> <plate>
PLATE 002

> <well>
E3

> <supplier_cmpd_name>
Vandetanib

> <ctcr_id>
4018

> <supplier_cmpd_id>
T1656

> <smiles>
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(C)CC4

> <pd_targets>
{FGFR1,FLT1,EGFR,KDR,TEK,PDGFRB,MAP2K1,MAP2K2,SIK2,ALK,ACVRL1,LTK,MAP4K2,FYN,CSK,DDR2,EPHA4,FGFR2,EPHA2,EPHB1,HCK,TNIK,YES1,ERBB2,CDC42BPA,CDC42BPB,RIPK2,SRC,STK32A,PLK4,COQ8A,COQ8B,ACVR1,HUNK,RIPK4,C
SNK1E,FLT3,MAP3K19,TXK,AURKC,SRMS,TESK1,RPS6KA1,KIT,CSF1R,ABL1,IRAK1,FRK,EPHB4,MKNK2,MAP4K5,EPHA6,MAP4K3,AURKB,BLK,MAP4K4,MERTK,AXL,EPHA7,FLT4,MET,LCK,BTK,ULK3,ERBB3,RET,STK10,EPHB6,DDR1,GAK,PHKG2,PHK
G1,FGFR3,MAP3K20,MAPK6,EPHA3,MAPK14,ROCK2,PTK6,LYN,EPHB2,EPHA1,TYRO3,MAP3K4,MKNK1,TNNI3K,PDGFRA,SIK3,LRRK2,ABL2,EPHA8,EPHA5,ERBB4,IRAK4,STK33,CIT,CDK7,TIE1,PRKAA1,RPS6KA6,SIK1,FGFR4,CDC42BPG,RORC,FGR,
MAP2K5,TUBA1A,MAP4K1,SLK,MINK1,MST1R,BMPR1B,HTT,STK35,RPS6KB1,KIF5B,EPHA10,EPHB3,VEGFA}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Transcription factor","Structural protein","Secreted protein",Kinase,"Nuclear receptor","Protein Kinase","Nuclear hormone receptor subfamily 1","TK protein kinase group
","STE protein kinase group","CAMK protein kinase group","TKL protein kinase group","AGC protein kinase group","Other protein kinase group","Atypical protein kinase group","CK1 protein kinase group","
CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","Tyrosine protein kinase FGFR family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase EGFR family","Tyrosine p
rotein kinase Tie family","Tyrosine protein kinase PDGFR family","STE protein kinase STE7 family","CAMK protein kinase CAMK1 family","TKL protein kinase STKR family","Tyrosine protein kinase Alk famil
y","STE protein kinase STE20 family","Tyrosine protein kinase Src family","Tyrosine protein kinase Csk family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Eph family","AGC protein ki
nase DMPK family","TKL protein kinase RIPK family","AGC protein kinase YANK family","Other protein kinase PLK family","Atypical protein kinase ABC1 family","CK1 protein kinase CK1 family","STE protein
 kinase STE11 family","Tyrosine protein kinase Tec family","Other protein kinase AUR family","TKL protein kinase LISK family","AGC protein kinase RSK family","Tyrosine protein kinase Abl family","TKL 
protein kinase IRAK family","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Met family","Other protein kinase ULK family","Tyrosine protein kinase Re
t family","Other protein kinase NAK family","CAMK protein kinase PHk family","TKL protein kinase MLK family","CMGC protein kinase MAPK family","TKL protein kinase LRRK family","CAMK protein kinase uni
que family","CMGC protein kinase CDK family","Nuclear hormone receptor subfamily 1 group F member 3","Other protein kinase NKF4 family","CAMK protein kinase QIK subfamily","TKL protein kinase STKR Typ
e 1 subfamily","STE protein kinase KHS subfamily","Tyrosine protein kinase SrcA","STE protein kinase MSN subfamily","AGC protein kinase GEK subfamily","Atypical protein kinase ABC1-A subfamily","TKL p
rotein kinase STKR1","Tyrosine protein kinase Srm","TKL protein kinase TESK subfamily","AGC protein kinase RSK subfamily","CAMK protein kinase MNK subfamily","STE protein kinase SLK subfamily","TKL pr
otein kinase MLK subfamily","CMGC protein kinase ERK3","CMGC protein kinase p38 subfamily","AGC protein kinase ROCK subfamily","TKL protein kinase HH498 subfamily","AGC protein kinase CRIK subfamily",
"CMGC protein kinase CDK7 subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase p70 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Catalytic receptors","Kinases (EC 2.7.x.x)","Nuclear hormone receptors",Tubulins,"Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile
 20 kinases","CAMK: Calcium/calmodulin-dependent protein kinases","AGC: Containing PKA",PKG,"PKC families",Atypical,"CK1: Casein kinase 1","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic
 acid-related orphans","TK: Tyrosine kinase","STE7 family","CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","STE20 family","DMPK family","YANK family","Other protein kinases","ABC1 family","Case
in kinase 1 (CK1) family","RSK family","MAPK-Activated Protein Kinase (MAPKAPK) family","Phosphorylase kinase (PHK) family","Mitogen-activated protein kinases (MAP kinases)","STE11 family","CAMK-uniqu
e family","Cyclin-dependent kinase (CDK) family","Receptor tyrosine kinases (RTKs)","QIK subfamily","Receptor serine/threonine kinase (RSTK) family","KHS subfamily","Non-receptor tyrosine kinases (nRT
Ks)","MSN subfamily","GEK subfamily","Receptor interacting protein kinase (RIPK) family","Polo-like kinase (PLK) family","ABC1-B subfamily","HUNK subfamily","STE20 subfamily","Aurora kinase (Aur) fami
ly","LIM domain kinase (LISK) family","RSK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","MKN subfamily","Unc-51-like kinase (ULK) family","SLK subfamily","Numb-associated kinase
 (NAK) family","Mixed Lineage Kinase (MLK) family","ERK subfamily","p38 subfamily","Rho kinase","Leucine-rich repeat kinase (LRRK) family","Other DMPK family kinases","CDK7 subfamily","AMPK subfamily"
,"NKF4 family","p70 subfamily","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type I RTKs: ErbB (epidermal gro
wth factor) receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor famil
y","Type I receptor serine/threonine kinases","Src family","Csk family","Type XVI RTKs: DDR (collagen receptor) family","Type XIII RTKs: Ephrin receptor family","Tec family","TESK subfamily","Abl fami
ly","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XIV RTKs: RET","MLK subfamily","HH498 subfamily"}

> <pathway_reactome>
{Disease,"Signal Transduction","Extracellular matrix organization","Developmental Biology","Cellular responses to external stimuli","Immune System","Cell Cycle","Cell-Cell communication","Gene express
ion (Transcription)",Hemostasis,"Vesicle-mediated transport",Metabolism,"Neuronal System","Circadian Clock","Diseases of signal transduction by growth factor receptors and second messengers","Signalin
g by Receptor Tyrosine Kinases","Signaling by GPCR","MAPK family signaling cascades","Intracellular signaling by second messengers","Signaling by TGFB family members","Infectious disease","Non-integri
n membrane-ECM interactions","Nervous system development","Cellular responses to stress","Innate Immune System",Mitotic,"Signaling by Non-Receptor Tyrosine Kinases","Cell junction organization","RNA P
olymerase II Transcription","Cell surface interactions at the vascular wall","Signaling by Hedgehog","Membrane Trafficking","Metabolism of carbohydrates","Transmission across Chemical Synapses","Signa
ling by Rho GTPases","MTOR signalling","Signaling by FGFR in disease","Signaling by VEGF","GPCR downstream signalling","MAPK1/MAPK3 signaling","PIP3 activates AKT signaling","Signaling by NTRKs","Sign
aling by BMP","HIV Infection","Oncogenic MAPK signaling","Axon guidance","Cellular Senescence","Leishmania infection","Toll-like Receptor Cascades","Mitotic G2-G2/M phases","Signaling by Insulin recep
tor","Fc epsilon receptor (FCERI) signaling","Signaling by PTK6","Cell-extracellular matrix interactions","Signaling by KIT in disease","Generic Transcription Pathway","M Phase","Hedgehog 'on' state",
"Neutrophil degranulation","trans-Golgi Network Vesicle Budding","Glycogen metabolism","MAPK6/MAPK4 signaling","Mitotic G1 phase and G1/S transition","Signaling by FGFR","Signaling by PDGFR in disease
","Neurotransmitter receptors and postsynaptic signal transmission","RHO GTPase Effectors","Signaling by MST1","mTORC1-mediated signalling","Signaling by FGFR1 in disease","VEGF ligand-receptor intera
ctions","G alpha (q) signalling events","VEGFA-VEGFR2 Pathway","RAF/MAP kinase cascade","Negative regulation of the PI3K/AKT network","Signaling by NTRK1 (TRKA)","Host Interactions of HIV factors","Si
gnaling by RAS mutants","EPH-Ephrin signaling","Signaling by FGFR2 in disease","Oxidative Stress Induced Senescence","Leishmania parasite growth and survival","Semaphorin interactions","Toll Like Rece
ptor 5 (TLR5) Cascade","G2/M Transition","Insulin receptor signalling cascade","FCERI mediated Ca+2 mobilization","PTK6 Down-Regulation","Regulation of cytoskeletal remodeling and cell spreading by IP
P complex components","Drug resistance of KIT mutants","Transcriptional Regulation by VENTX","Parasite infection","PTEN Regulation","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX
1","RET signaling","Golgi Associated Vesicle Biogenesis","Glycogen breakdown (glycogenolysis)","Signaling by FGFR3 in disease","G1 Phase","Signaling by FGFR4","Drug resistance of PDGFR mutants","PTK6 
promotes HIF1A stabilization","Signaling by ROBO receptors","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 2 (TLR2) Cascade","RHO GTPases activate CIT","HIV Life Cycle","Tr
anscriptional Regulation by TP53","Transcriptional regulation by RUNX3","Transcriptional Regulation by MECP2","Transcriptional regulation by the AP-2 (TFAP2) family of transcription factors","FGFR1 mu
tant receptor activation","VEGF binds to VEGFR leading to receptor dimerization","Gastrin-CREB signalling pathway via PKC and MAPK","VEGFR2 mediated cell proliferation",PI5P,"PP2A and IER3 Regulate PI
3K/AKT Signaling","Signalling to ERKs","The role of Nef in HIV-1 replication and disease pathogenesis","Signaling downstream of RAS mutants","EPHA-mediated growth cone collapse","FGFR2 mutant receptor
 activation","EPHB-mediated forward signaling","Anti-inflammatory response favouring Leishmania parasite infection","Sema4D in semaphorin signaling","MyD88 cascade initiated on plasma membrane","Centr
osome maturation","IRS-mediated signalling","Dasatinib-resistant KIT mutants","Leishmania phagocytosis","Regulation of PTEN stability and activity","Mitotic Anaphase","RUNX1 regulates transcription of
 genes involved in BCR signaling","Signaling by FGFR3 point mutants in cancer","Cyclin D associated events in G1","Negative regulation of FGFR4 signaling","Imatinib-resistant PDGFR mutants","Role of A
BL in ROBO-SLIT signaling","Post NMDA receptor activation events","Toll Like Receptor TLR6:TLR2 Cascade","Late Phase of HIV Life Cycle","Regulation of TP53 Activity","Downstream signaling of activated
 FGFR4","RUNX3 Regulates Immune Response and Cell Migration","Signalling to ERK5","Regulation of MECP2 expression and activity","TFAP2 (AP-2) family regulates transcription of growth factors and their
 receptors","Signaling by activated point mutants of FGFR1","EGFR Transactivation by Gastrin","Prolonged ERK activation events","Nef and signal transduction","Activated point mutants of FGFR2","FCGR3A
-mediated IL10 synthesis","Sema4D induced cell migration and growth-cone collapse","MAP kinase activation","Signalling to RAS","Loss of proteins required for interphase microtubule organization from t
he centrosome","PI3K Cascade","FCGR3A-mediated phagocytosis","Separation of Sister Chromatids","Sema4D mediated inhibition of cell attachment and migration","Nef-mediates down modulation of cell surfa
ce receptors by recruiting them to clathrin adapters","FGFR3 mutant receptor activation","Spry regulation of FGF signaling","Long-term potentiation","MyD88:MAL(TIRAP) cascade initiated on plasma membr
ane","Transcription of the HIV genome","Regulation of TP53 Activity through Phosphorylation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","FRS-mediated FGFR4 sign
aling","Frs2-mediated activation","activated TAK1 mediates p38 MAPK activation","p38MAPK events","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Medi
ated CD4 Down-regulation","Signaling by activated point mutants of FGFR3","HIV Transcription Elongation","RSK activation","CREB phosphorylation","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,EPHA1,EPHA10,EPHA2,EPHA3,EPHA4,EPHA5,EPHA6,EPHA7,EPHA8,EPHB1,EPHB2,EPHB3,EPHB4,EPHB6,ERBB2,ERBB3,ERBB4,FLT1,FLT4,KDR,PTK6,RET,SRC,TEK,VEGFA}

> <broad_moa>
{"EGFR inhibitor","RET tyrosine kinase inhibitor","VEGFR inhibitor"}

> <synonyms>
{Vandetinib,"HSDB 8198",2ivu,Vandetanib,443913-73-3,443913733,Zactima,ZD6474,Caprelsa,"vandetanib (zd6474)","ZD 6474",ZD-6474,UNII-YO460OQ37K,UNIIYO460OQ37K,C22H24BrFN4O2,CHEMBL24828,YO460OQ37K,CHEBI:
49960,GNF-PF-2188,GNFPF2188,MFCD07772346,NCGC00167513-01,NCGC0016751301,DSSTox_CID_26681,DSSToxCID26681,DSSTox-CID-26681,"DSSTox CID 26681",DSSTox,T1656,760766,S1046,"NSC 760766",vandetanib,VANDETANIB
}

> <pdid>
PD003329

> <targets>
{"EGFR(HER) | VEGFR-PDGFR",PDGFR,RET,KIT,VEGFR,FMS}

> <classes>
{"Kinase inhibitor"}

> <pubchem_cids>
{3081361}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 27 30  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
    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
    3.8943    3.7525    0.0000 C   0  0
    3.8919    5.2525    0.0000 C   0  0
    2.5964    3.0004    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 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
    1.2997   -3.7504    0.0000 C   0  0
    1.9725   -5.0026    0.0000 C   0  0
    2.7205   -3.7024    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8963   -3.7531    0.0000 C   0  0
   -5.1966   -3.0054    0.0000 O   0  0
   -3.8941   -5.2531    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  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11  5  1  0
  4 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 21  1  0
 20 24  1  0
 24  3  1  0
 24 15  2  0
 18 25  1  0
 25 26  1  0
 25 27  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25251

> <plate>
PLATE 002

> <well>
E4

> <supplier_cmpd_name>
Gatifloxacin

> <ctcr_id>
1610

> <supplier_cmpd_id>
T1293

> <smiles>
COc1c(N2CCNC(C)C2)c(F)cc3C(=O)C(=CN(C4CC4)c13)C(O)=O

> <pd_targets>
{HSD17B10,GYRA,GYRB,PARC,ALDH1A1,KDM4E,TDP1,ALOX15,CLK4,PRKD3,HPGD,SKA,CLK2,PARE}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Oxidoreductase,Isomerase,Eraser,Hydrolase,Kinase,Protease,"Lysine demethylase","Protein Kinase","Cysteine protease","Jumonji domain-containing","CMGC protein kinase grou
p","Cysteine protease CA clan","CAMK protein kinase group","CMGC protein kinase CLK family","Cysteine protease C1A family","CAMK protein kinase PKD family"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Eicosanoid turnover","Kinases (EC 2.7.x.x)","1.14.11.- Histone demethylases",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmod
ulin-dependent protein kinases","Prostaglandin synthases","CLK family","Protein kinase D (PKD) family"}

> <pathway_reactome>
{Metabolism,"DNA Repair","Metabolism of amino acids and derivatives","Biological oxidations","DNA Double-Strand Break Repair","Metabolism of lipids","Branched-chain amino acid catabolism","Phase I - F
unctionalization of compounds","Nonhomologous End-Joining (NHEJ)","Biosynthesis of specialized proresolving mediators (SPMs)","Sphingolipid metabolism","Ethanol oxidation","Biosynthesis of DPA-derived
 SPMs","Sphingolipid de novo biosynthesis","Biosynthesis of DHA-derived SPMs","Biosynthesis of DPAn-3 SPMs","Biosynthesis of D-series resolvins","Biosynthesis of DPAn-3-derived protectins and resolvin
s"}

> <broad_targets>
{}

> <broad_moa>
{"bacterial DNA gyrase inhibitor"}

> <synonyms>
{STL048947,AKOS005702286,Gatifloxacin,112811-59-3,112811593,Tequin,Zymar,Gatiflo,AM-1155,AM1155,Zymaxid,"AM 1155","CG 5501",BMS-206584,BMS206584,"gatifloxacin anhydrous",GTFX,"Gatifloxacin hydrate",CH
EMBL31,PD-135432,PD135432,CHEBI:5280,Gatilox,Gatiquin,Gatispan,160738-57-8,160738578,Gait,T1293,SAM002589955,1504272,Prestw-1265,CPD000043336,GATIFLOXACIN}

> <pdid>
PD001202

> <targets>
{}

> <classes>
{antibacterial}

> <pubchem_cids>
{4872633,5379}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25252

> <plate>
PLATE 002

> <well>
E5

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 20 22  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 F   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  2  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  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  2  1  0
 11  7  2  0
 12  8  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  6
 15 16  1  0
 14 17  1  0
 17 18  1  1
 17 19  1  0
 19 12  1  0
 19 20  1  6
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25253

> <plate>
PLATE 002

> <well>
E6

> <supplier_cmpd_name>
Fludarabine

> <ctcr_id>
4220

> <supplier_cmpd_id>
T1038

> <smiles>
Nc1nc(F)nc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O

> <pd_targets>
{RRM2,HIF1A,ADORA2A,ADORA1,RRM1,LMNA,ADORA3,POLA1,DCK,ADORA2B,MAPK1,TP53,RXFP1,ADA,AMPC,HSF1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Membrane receptor","Other nuclear protein",Oxidoreductase,"Family A G protein-coupled receptor",Transferase,"Small molecule receptor (family A GPCR)","Nucleotide-like r
eceptor (family A GPCR)","Adenosine receptor",Kinase,Hydrolase,"Protein Kinase","Peptide receptor (family A GPCR)","CMGC protein kinase group","Relaxin-like peptide receptor (family A GPCR)","CMGC pro
tein kinase MAPK family","Relaxin receptor","CMGC protein kinase ERK1","Other cytosolic protein"}

> <pathway_chembl>
{Enzymes,Receptors,"1.17.4.1 Ribonucleoside-diphosphate reductases","G protein-coupled receptors","Adenosine receptors","Kinases (EC 2.7.x.x)","Adenosine turnover","CMGC: Containing CDK",MAPK,GSK3,"CL
K families","Relaxin family peptide receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Cell Cycle","Cellular responses to external stimuli",Disease,"Signal Transduction",Metabolism,Mitotic,"Cellular responses to stress","Infectious disease","Signaling by GPCR","Metabolism of nucleotid
es","Mitotic G1 phase and G1/S transition","Cellular response to hypoxia","Leishmania infection","GPCR ligand binding","Interconversion of nucleotide di- and triphosphates","M Phase","Nucleotide salva
ge","G1/S Transition","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Mitotic Metaphase and
 Anaphase","Purine salvage","G1/S-Specific Transcription","Anti-inflammatory response favouring Leishmania parasite infection","Nucleotide-like (purinergic) receptors","Mitotic Anaphase","E2F mediated
 regulation of DNA replication","ADORA2B mediated anti-inflammatory cytokines production","Adenosine P1 receptors","Nuclear Envelope (NE) Reassembly","Inhibition of replication initiation of damaged D
NA by RB1/E2F1","Initiation of Nuclear Envelope (NE) Reformation","Immune System","Innate Immune System","Cell Cycle Checkpoints","Toll-like Receptor Cascades","G1/S DNA Damage Checkpoints","Toll Like
 Receptor 5 (TLR5) Cascade","p53-Dependent G1/S DNA damage checkpoint","MyD88 cascade initiated on plasma membrane","p53-Dependent G1 DNA Damage Response","MAP kinase activation","Stabilization of p53
","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","ERK/MAPK targets","ERKs are inactivated","Cellular response to heat stress","HSF1-dependent 
transactivation","Attenuation phase"}

> <broad_targets>
{ADORA1,ADORA2A,ADORA2B}

> <broad_moa>
{"adenosine receptor agonist"}

> <synonyms>
{RESTW148,Fludarabine,21679-14-1,21679141,F-Ara-A,FAraA,"2-Fluoro Ara-A","2Fluoro AraA",9-beta-D-Arabinofuranosyl-2-fluoroadenine,9betaDArabinofuranosyl2fluoroadenine,"Fludarabine (INN)",2-F-ara-A,2Fa
raA,"NSC 118218","CCRIS 3382","Fludarabine (Fludara)",2-Fluoro-9-beta-D-arabinofuranosyladenine,2Fluoro9betaDarabinofuranosyladenine,MFCD00132942,MLS000028687,UNII-,UNII,T1038,SAM002548956,Prestw-1483
,CPD000058874}

> <pdid>
PD002993

> <targets>
{Apoptosis,DNA/RNA Synthesis,Nucleoside Antimetabolite/Analog,STAT}

> <classes>
{Apoptosis,Cell Cycle/DNA Damage,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{657237}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25254

> <plate>
PLATE 002

> <well>
E7

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25255

> <plate>
PLATE 002

> <well>
E8

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 31 35  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 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
    2.5972    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 C   0  0
    5.1876    6.0124    0.0000 C   0  0
    5.1824    7.5124    0.0000 C   0  0
    3.8807    8.2579    0.0000 C   0  0
    3.8755    9.7579    0.0000 O   0  0
    2.5843    7.5034    0.0000 C   0  0
    2.5895    6.0034    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
   -2.5987    1.5004    0.0000 C   0  0
   -3.9493    0.8775    0.0000 C   0  0
   -4.9545    1.9907    0.0000 S   0  0
   -4.2066    3.2900    0.0000 C   0  0
   -4.6722    4.7159    0.0000 C   0  0
   -3.6700    5.8321    0.0000 C   0  0
   -2.2024    5.5223    0.0000 C   0  0
   -1.7368    4.0964    0.0000 C   0  0
   -2.7389    2.9803    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  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  2  0
 18 12  1  0
  8 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  4  1  0
 22  7  1  0
 20 23  1  0
 23 24  2  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 23  1  0
 31 26  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25256

> <plate>
PLATE 002

> <well>
E9

> <supplier_cmpd_name>
StemRegenin 1

> <ctcr_id>
818

> <supplier_cmpd_id>
T1831

> <smiles>
CC(C)n1cnc2c(NCCc3ccc(O)cc3)nc(nc12)c4csc5ccccc45

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{AHR}

> <broad_moa>
{"aryl hydrocarbon receptor antagonist"}

> <synonyms>
{"StemRegenin 1",1227633-49-9,1227633499,"SetmEegenin 1","StemRegenin 1 (SR1)","Etmregenin 1",4-(2-(2-(benzo(b)thiophen-3-yl)-9-isopropyl-9H-purin-6-ylamino)ethyl)phenol,4(2(2(benzo(b)thiophen3yl)9iso
propyl9Hpurin6ylamino)ethyl)phenol,StemRegenin1,UNII-RNE1V1F9O1,UNIIRNE1V1F9O1,RNE1V1F9O1,SR1,MFCD16987861,4-(2-((2-(1-benzothiophen-3-yl)-9-,4(2((2(1benzothiophen3yl)9,T1831,S2858}

> <pdid>
PD003678

> <targets>
{Others,Aryl Hydrocarbon Receptor}

> <classes>
{Others,Immunology/Inflammation}

> <pubchem_cids>
{46199207}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25257

> <plate>
PLATE 002

> <well>
E10

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 24  0  0  0  0            999 V2000
   -3.9477   -7.1844    0.0000 C   0  0
   -2.8628   -6.1485    0.0000 C   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 C   0  0
   -3.2175   -4.6910    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 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
   -2.6003   -1.4978    0.0000 S   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
   -6.4964    0.7590    0.0000 O   0  0
   -7.7996   -1.4883    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  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  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  1  0
 19 20  1  0
 19 21  2  0
 15 22  2  0
 22  8  1  0
 22 11  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25258

> <plate>
PLATE 002

> <well>
E11

> <supplier_cmpd_name>
TTP 22

> <ctcr_id>
7651

> <supplier_cmpd_id>
T1828

> <smiles>
Cc1ccc(cc1)c2csc3ncnc(SCCC(O)=O)c23

> <pd_targets>
{CSNK2A1,CSNK2A2,CSNK2B}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","Other protein kinase CK2 family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{CSNK2A1}

> <broad_moa>
{"casein kinase inhibitor"}

> <synonyms>
{"TTP 22",329907-28-0,329907280,TTP22,"3-(5-(4-methylphenyl)thieno(2,3-d)pyrimidin-4-yl)sulfanylpropanoic acid","3(5(4methylphenyl)thieno(2,3d)pyrimidin4yl)sulfanylpropanoic acid","3-((5-(p-Tolyl)thie
no(2,3-d)pyrimidin-4-yl)thio)propanoic acid","3((5(pTolyl)thieno(2,3d)pyrimidin4yl)thio)propanoic acid",TTP-22,3-((5-(4-methylphenyl)thieno(2,3((5(4methylphenyl)thieno(2,"3-d)pyrimidin-4-yl)sulfanyl)p
ropanoic aci","3d)pyrimidin4yl)sulfanyl)propanoic aci",T1828,nan}

> <pdid>
PD012573

> <targets>
{"Casein Kinase 2","Casein Kinase II Inhibitor","Casein Kinase"}

> <classes>
{Cell Cycle/DNA Damage,Stem Cell/Wnt}

> <pubchem_cids>
{1536915}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25259

> <plate>
PLATE 002

> <well>
F2

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25260

> <plate>
PLATE 002

> <well>
F3

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25261

> <plate>
PLATE 002

> <well>
F4

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25262

> <plate>
PLATE 002

> <well>
F5

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25263

> <plate>
PLATE 002

> <well>
F6

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 38 41  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    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    3.0008    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 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
   -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
   -0.0031   -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
   -5.2089   -5.9859    0.0000 Cl  0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -5.1977   -2.9829    0.0000 N   0  0
   -5.1903   -1.4821    0.0000 C   0  0
   -3.8861   -0.7410    0.0000 C   0  0
   -3.8758    0.7590    0.0000 C   0  0
   -5.1696    1.5179    0.0000 C   0  0
   -6.4738    0.7769    0.0000 C   0  0
   -6.4841   -0.7230    0.0000 C   0  0
   -7.7891   -1.4644    0.0000 S   0  0
   -7.7990   -2.9644    0.0000 O   0  0
   -9.0929   -2.2060    0.0000 O   0  0
   -9.0841   -0.7058    0.0000 C   0  0
  -10.3883   -1.4467    0.0000 C   0  0
   -9.0741    0.7942    0.0000 C   0  0
   -2.6004   -2.9949    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
  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
  7 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17  5  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  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
 32 33  2  0
 32 34  2  0
 32 35  1  0
 35 36  1  0
 35 37  1  0
 24 38  2  0
 38 19  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25264

> <plate>
PLATE 002

> <well>
F7

> <supplier_cmpd_name>
LDK378

> <ctcr_id>
4827

> <supplier_cmpd_id>
T1791

> <smiles>
CC(C)Oc1cc(C2CCNCC2)c(C)cc1Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3

> <pd_targets>
{JAK2,MKNK2,INSR,ALK,JAK3,SYK,KIT,MET,ROS1,KCNH2,FLT3,ZAP70,ROCK2,TSSK1B,FGFR3,JAK1,BTK,FGFR4,EGFR,LYN,IGF1R,ABL1,FGFR2,CDK4,RET,PDGFRA,CDK2,REP,LCK,ETV6,NTRK2,FGR,ABCB1,EML4,NTRK1,SRC,KDR}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Transcription factor",Transporter,Kinase,"Voltage-gated ion channel",Transferase,"Primary active transporter","Protein Kinase","Potassium channels","ATP-binding cassette","TK pr
otein kinase group","CAMK protein kinase group","TKL protein kinase group","Voltage-gated potassium channel","AGC protein kinase group","CMGC protein kinase group","ABCB subfamily","Tyrosine protein k
inase JakA family","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase InsR family","TKL protein kinase STKR family","Tyrosine protein kinase Syk family","Tyrosine protein kinase PDGFR famil
y","Tyrosine protein kinase Met family","Tyrosine protein kinase Sev family","AGC protein kinase DMPK family","CAMK protein kinase TSSK family","Tyrosine protein kinase FGFR family","Tyrosine protein 
kinase Tec family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Ret family","CMGC protein kinase CDK family"
,"Tyrosine protein kinase Trk family","Tyrosine protein kinase VEGFR family","CAMK protein kinase MNK subfamily","TKL protein kinase STKR Type 1 subfamily","AGC protein kinase ROCK subfamily","CMGC pr
otein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Other protein targets",Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Anti-infective targets","ATP-binding cassette transpor
ter family","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","Potassium channels","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Viral
 protein targets","ABCB subfamily","TK: Tyrosine kinase","MAPK-Activated Protein Kinase (MAPKAPK) family","Voltage-gated potassium channels","DMPK family","Testis specific kinase (TSSK) family","Cycli
n-dependent kinase (CDK) family","Coronavirus (CoV) proteins","Non-receptor tyrosine kinases (nRTKs)","MKN subfamily","Receptor tyrosine kinases (RTKs)","Rho kinase","CDK4 subfamily","CDK1 subfamily",
"Janus kinase (JakA) family","Type II RTKs: Insulin receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Syk family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family
","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XVII RTKs: ROS receptors","Type V RTKs: FGF (fibroblast growth factor) receptor family","Tec family","Type I RTKs: ErbB (epidermal
 growth factor) receptor family","Src family","Abl family","Type XIV RTKs: RET","Type VII RTKs: Neurotrophin receptor/Trk family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor fami
ly"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction","Immune System",Disease,"Developmental Biology","Muscle contraction","Gene expression (Transcription)",Metabolism,Mitotic,"Intracellular signaling by second messeng
ers","Cytokine Signaling in Immune system","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","Nervous system development","Cardiac conduction","Si
gnaling by Receptor Tyrosine Kinases","Adaptive Immune System","Signaling by GPCR","RNA Polymerase II Transcription","Abacavir transport and metabolism","Mitotic G1 phase and G1/S transition","PIP3 ac
tivates AKT signaling","Signaling by Interleukins","Leishmania infection","Signaling by KIT in disease","Axon guidance","Phase 3 - rapid repolarisation","Signaling by Insulin receptor","TCR signaling"
,"Signaling by FGFR in disease","Interferon Signaling","Signaling by FGFR","GPCR downstream signalling","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Signaling by PDGFR in disea
se","Generic Transcription Pathway","SARS-CoV Infections","HIV Infection","FLT3 signaling in disease","Signaling by NTRKs","Abacavir transmembrane transport","Signaling by VEGF","G1 Phase","Negative r
egulation of the PI3K/AKT network","Interleukin-2 family signaling","Leishmania parasite growth and survival","Drug resistance of KIT mutants","Semaphorin interactions","Insulin receptor signalling ca
scade","Generation of second messenger molecules","Signaling by FGFR3 in disease","Antiviral mechanism by IFN-stimulated genes","Parasite infection","Signaling by FGFR4","G alpha (q) signalling events
","IGF1R signaling cascade","Signaling by FGFR2 in disease","RET signaling","Drug resistance of PDGFR mutants","Transcriptional Regulation by TP53","SARS-CoV-2 Infection","Host Interactions of HIV fac
tors","Signaling by FLT3 fusion proteins","Signaling by NTRK1 (TRKA)","VEGFA-VEGFR2 Pathway","Cyclin D associated events in G1",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Interleukin-15 signali
ng","Anti-inflammatory response favouring Leishmania parasite infection","Dasatinib-resistant KIT mutants","Sema4D in semaphorin signaling","IRS-mediated signalling","Signaling by FGFR3 point mutants 
in cancer","ISG15 antiviral mechanism","Leishmania phagocytosis","Downstream signaling of activated FGFR4","Gastrin-CREB signalling pathway via PKC and MAPK","IRS-related events triggered by IGF1R","F
GFR2 mutant receptor activation","Imatinib-resistant PDGFR mutants","Regulation of TP53 Activity","SARS-CoV-2 Genome Replication and Transcription","The role of Nef in HIV-1 replication and disease pa
thogenesis","Activation of TRKA receptors","Signalling to ERKs","VEGFR2 mediated cell proliferation","FCGR3A-mediated IL10 synthesis","Sema4D mediated inhibition of cell attachment and migration","PI3
K Cascade","Sema4D induced cell migration and growth-cone collapse","FGFR3 mutant receptor activation","FCGR3A-mediated phagocytosis","FRS-mediated FGFR4 signaling","EGFR Transactivation by Gastrin","
Activated point mutants of FGFR2","Regulation of TP53 Expression and Degradation","Replication of the SARS-CoV-2 genome","Nef-mediates down modulation of cell surface receptors by recruiting them to c
lathrin adapters","NGF-independant TRKA activation","Prolonged ERK activation events","Signalling to RAS","Signaling by activated point mutants of FGFR3","Regulation of TP53 Degradation","Nef Mediated
 CD4 Down-regulation","ARMS-mediated activation","p38MAPK events"}

> <broad_targets>
{ALK,FLT3,IGF1R,INSR,TSSK1B}

> <broad_moa>
{"ALK tyrosine kinase receptor inhibitor"}

> <synonyms>
{ceritinib,LDK378,1032900-25-6,1032900256,ZYKADIA,LDK-378,NVP-LDK378-NX,NVPLDK378NX,"LDK 378","Ceritinib (LDK378)",UNII-K418KG2GET,UNIIK418KG2GET,"Ceritinib free base",Ceritinib(LDK378),K418KG2GET,CHE
MBL2403108,CHEBI:78432,"1032900-25-6 (free base)","1032900256 (free base)",C28H36ClN5O3S,"Ceritinib (USAN:INN)",c,T1791,776422,S7083,Ceritinib}

> <pdid>
PD004094

> <targets>
{ALK}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{57379345}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25265

> <plate>
PLATE 002

> <well>
F8

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 33 37  0  0  0  0            999 V2000
    5.5505   -4.4276    0.0000 N   0  0
    4.0505   -4.4250    0.0000 C   0  0
    2.5497   -4.4224    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 S   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5428   -7.0227    0.0000 N   0  0
    1.7883   -8.3192    0.0000 C   0  0
    2.5315   -9.6231    0.0000 O   0  0
    1.7747  -10.9191    0.0000 C   0  0
    2.5179  -12.2230    0.0000 C   0  0
    1.7634  -13.5195    0.0000 C   0  0
    2.5089  -14.8211    0.0000 C   0  0
    4.0089  -14.8264    0.0000 C   0  0
    4.7574  -16.1272    0.0000 C   0  0
    6.2582  -16.1303    0.0000 N   0  0
    7.0083  -17.4294    0.0000 C   0  0
    8.5083  -17.4295    0.0000 C   0  0
    9.2583  -16.1305    0.0000 O   0  0
    8.5084  -14.8314    0.0000 C   0  0
    7.0084  -14.8313    0.0000 C   0  0
    4.7634  -13.5300    0.0000 C   0  0
    4.0180  -12.2283    0.0000 C   0  0
    0.2883   -8.3139    0.0000 N   0  0
   -0.4572   -7.0123    0.0000 C   0  0
    0.2973   -5.7159    0.0000 C   0  0
  1  2  3  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 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12  4  1  0
  3 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  2  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
 21 29  1  0
 29 30  2  0
 30 18  1  0
 15 31  2  0
 31 32  1  0
 32 33  2  0
 33 13  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25266

> <plate>
PLATE 002

> <well>
F9

> <supplier_cmpd_name>
AS 602801

> <ctcr_id>
11897

> <supplier_cmpd_id>
T2675

> <smiles>
N#CC(c1nc2ccccc2s1)c1nc(OCc2ccc(CN3CCOCC3)cc2)ncc1

> <pd_targets>
{MAPK10,MAPK8,MAPK9}

> <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>
{MAPK10,MAPK8,MAPK9}

> <broad_moa>
{"JNK inhibitor"}

> <synonyms>
{Bentamapimod,848344-36-5,848344365,"AS 602801",AS-602801,AS602801,"Bentamapimod (Tautomer)",PGL5001,PGL-5001,541507-14-6,541507146,"Bentamapimod (INN)",CS-0600,CS0600,AS602801(Bentamapimod),cc-464,cc
464,MLS006010270,"AS 602801(Bentamapimod)",GTPL9926,SCHEMBL2878382,CHEMBL3545,T2675}

> <pdid>
PD012731

> <targets>
{JNK1,JNK2,JNK3,JNK}

> <classes>
{MAPK,MAPK/ERK Pathway}

> <pubchem_cids>
{10195250}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 38 41  0  0  0  0            999 V2000
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 N   0  0
    3.8869   -8.2595    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
   -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
   -7.7896   -6.0102    0.0000 N   0  0
   -7.7875   -7.5111    0.0000 C   0  0
   -9.0839   -8.2657    0.0000 N   0  0
   -9.0786   -9.7657    0.0000 C   0  0
   -7.7770  -10.5111    0.0000 C   0  0
   -6.4806   -9.7566    0.0000 C   0  0
   -6.4858   -8.2566    0.0000 N   0  0
   -5.1783  -10.5025    0.0000 C   0  0
   -5.1706  -12.0025    0.0000 C   0  0
   -3.8677  -12.7459    0.0000 C   0  0
   -2.5725  -11.9893    0.0000 C   0  0
   -2.5801  -10.4893    0.0000 N   0  0
   -3.8830   -9.7459    0.0000 C   0  0
   -6.4915   -3.7571    0.0000 C   0  0
   -7.7905   -3.0071    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  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 10  1  0
 14 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  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
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 22 36  1  0
 36 37  1  0
 36 38  2  0
 38 19  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25267

> <plate>
PLATE 002

> <well>
F10

> <supplier_cmpd_name>
JNK-IN-8

> <ctcr_id>
7596

> <supplier_cmpd_id>
T2668

> <smiles>
CN(C)C\C=C\C(=O)Nc1cccc(c1)C(=O)Nc2ccc(Nc3nccc(n3)c4cccnc4)c(C)c2

> <pd_targets>
{MAPK10,MAPK9,MAPK8,IRAK1,MAP3K19,MAPK6,RIOK2,PIP4K2C,CDKL5,TNFRSF10B,STK17A}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Kinase,Transferase,"Protein Kinase","CMGC protein kinase group","TKL protein kinase group","STE protein kinase group","Atypical protein kinase group","CAMK protein kinase g
roup","CMGC protein kinase MAPK family","TKL protein kinase IRAK family","STE protein kinase STE11 family","Atypical protein kinase RIO family","CMGC protein kinase CDKL family","CAMK protein kinase D
APK family","CMGC protein kinase JNK subfamily","CMGC protein kinase ERK3","Atypical protein kinase RIO2 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",
Atypical,"Lipid modifying kinases","Tumour necrosis factor (TNF) receptor family","CAMK: Calcium/calmodulin-dependent protein kinases","Mitogen-activated protein kinases (MAP kinases)","TKL: Tyrosine 
kinase-like","STE20 family","RIO family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Cyclin-dependent kinase-like (CDKL) family","Death-associated kinase (DAPK) family"
,"JNK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","STE20 subfamily","ERK subfamily","RIO2 subfamily"}

> <pathway_reactome>
{"Immune System","Signal Transduction","Metabolism of RNA","Gene expression (Transcription)","Innate Immune System","MAPK family signaling cascades","rRNA processing","RNA Polymerase II Transcription"
,"Toll-like Receptor Cascades","MAPK6/MAPK4 signaling","rRNA processing in the nucleus and cytosol","Generic Transcription Pathway","Toll Like Receptor 5 (TLR5) Cascade","Major pathway of rRNA process
ing in the nucleolus and cytosol","Transcriptional Regulation by TP53","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity","TP53 Regulates Transcription of Cell Death Genes","MA
P kinase activation","Regulation of TP53 Activity through Acetylation","TP53 Regulates Transcription of Death Receptors and Ligands","MAPK targets/ Nuclear events mediated by MAP kinases","activated T
AK1 mediates p38 MAPK activation","PI5P Regulates TP53 Acetylation","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NKIN,JNK-IN-8,JNKIN8,1410880-22-6,1410880226,"JNK Inhibitor XVI",1644498-56-5,1644498565,JNK-IN8,GTPL8058,CHEMBL2216824,SCHEMBL14979761,BDBM86633,DTXSID40720937,CHEBI:124918,BCP09744,EX-A2206,EXA2206
,s4901,ZINC89464842,CCG-269758,CCG269758,CS-0601,CS0601,SB19427,NCGC00386243-05,NCGC0038624305,AC-30624,AC30624,AS-75064,AS75064,HY-13319,HY13319,S4901}

> <pdid>
PD003255

> <targets>
{JNK}

> <classes>
{}

> <pubchem_cids>
{57340686}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 32 36  0  0  0  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
    1.2990    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
    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
    7.7911   -6.0075    0.0000 C   0  0
    7.7936   -7.5075    0.0000 C   0  0
    9.0938   -8.2555    0.0000 C   0  0
   10.3917   -7.5035    0.0000 C   0  0
   10.3893   -6.0035    0.0000 C   0  0
    9.0891   -5.2555    0.0000 N   0  0
    9.0961   -9.7563    0.0000 C   0  0
   10.3124  -10.6123    0.0000 C   0  0
    9.8534  -12.0403    0.0000 N   0  0
    8.3534  -12.0450    0.0000 N   0  0
    7.8853  -10.6199    0.0000 C   0  0
    6.4593  -10.1522    0.0000 C   0  0
    6.0383   -8.7179    0.0000 C   0  0
    4.5804   -8.3651    0.0000 C   0  0
    3.5459   -9.4513    0.0000 C   0  0
    3.9693  -10.8903    0.0000 C   0  0
    5.4272  -11.2431    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  1  0
  8  9  1  0
  9  4  1  0
  2 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  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
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 22  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_L8000_Stem cell Differentiation Compound Library

> <id>
25268

> <plate>
PLATE 002

> <well>
F11

> <supplier_cmpd_name>
GW 788388

> <ctcr_id>
6182

> <supplier_cmpd_id>
T1800

> <smiles>
O=C(NC1CCOCC1)c2ccc(cc2)c3cc(ccn3)c4c[nH]nc4c5ccccn5

> <pd_targets>
{TGFB1,TGFBR1,MAPK14}

> <pathway_gtopdb>
{"Secreted protein",Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","CMGC protein kinase group","TKL protein kinase STKR family","CMGC protein kinase MAPK family","TKL protein kinase STKR Ty
pe 1 subfamily","CMGC protein kinase p38 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TKL: Tyrosine kinase-like","Mitogen-activated protein kinases (MAP k
inases)","Receptor serine/threonine kinase (RSTK) family","p38 subfamily","Type I receptor serine/threonine kinases"}

> <pathway_reactome>
{Disease,"Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","Signaling by TGF-beta Receptor Complex in Cancer","Toll-like Recepto
r Cascades","Loss of Function of SMAD2/3 in Cancer","Toll Like Receptor 5 (TLR5) Cascade","SMAD2/3 Phosphorylation Motif Mutants in Cancer","MyD88 cascade initiated on plasma membrane","MAP kinase act
ivation","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{LCK,MAPK14,TGFBR1}

> <broad_moa>
{"ALK tyrosine kinase receptor inhibitor"}

> <synonyms>
{SCHEMBL373524,452342-67-5,452342675,GW788388,GW-788388,"GW 788388",UNII-N14114957J,UNIIN14114957J,CHEMBL202887,N14114957J,N-(oxan-4-yl)-4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzamide,N
(oxan4yl)4(4(3(pyridin2yl)1Hpyrazol4yl)pyridin2yl)benzamide,cc-69,cc69,SCHEMBL17926774,AOB2606,DTXSID70196444,EX-A122,EXA122,HMS3656N21,BCP04559,ANW,S2750}

> <pdid>
PD010684

> <targets>
{TGF-beta/Smad}

> <classes>
{TGF-beta/Smad}

> <pubchem_cids>
{10202642}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 21 23  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 O   0  0
    2.5951    3.0031    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
   -3.9073    5.2494    0.0000 C   0  0
   -5.2089    5.9949    0.0000 C   0  0
   -6.5054    5.2404    0.0000 C   0  0
   -6.5002    3.7404    0.0000 C   0  0
   -5.1985    2.9949    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
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  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
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
  9 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20  8  1  0
 20 21  2  0
 21  3  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25269

> <plate>
PLATE 002

> <well>
G2

> <supplier_cmpd_name>
WHI-P258

> <ctcr_id>
11522

> <supplier_cmpd_id>
T2035

> <smiles>
COc1c(OC)cc2c(Nc3ccccc3)ncnc2c1

> <pd_targets>
{EGFR,RET,LCK,KDR}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Src family","Tyrosine protein kinase VEGFR
 family"}

> <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","Type XIV RTKs: RET","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology",Disease,"Signaling by GPCR","Nervous system development","Infectious disease","Signaling by Receptor Tyrosine Kinases","GPCR downstream signalling","Axon
 guidance","HIV Infection","Signaling by VEGF","G alpha (q) signalling events","RET signaling","Host Interactions of HIV factors","VEGFA-VEGFR2 Pathway","Gastrin-CREB signalling pathway via PKC and MA
PK","The role of Nef in HIV-1 replication and disease pathogenesis","VEGFR2 mediated cell proliferation","EGFR Transactivation by Gastrin","Nef-mediates down modulation of cell surface receptors by re
cruiting them to clathrin adapters","Nef Mediated CD4 Down-regulation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HIP25,WHI-P258,WHIP258,21561-09-1,21561091,"6,7-dimethoxy-N-phenylquinazolin-4-amine","6,7dimethoxyNphenylquinazolin4amine","4-Phenylamino-6,7-dimethoxyquinazoline","4Phenylamino6,7dimethoxyquinazoli
ne",CHEMBL94191,"4-Quinazolinamine, 6,7-dimethoxy-N-phenyl-","4Quinazolinamine, 6,7dimethoxyNphenyl","6,7-dimethoxy-N-phenyl-4-quinazolinamine","6,7dimethoxyNphenyl4quinazolinamine",Oprea1_506594,Opre
a1506594,Oprea1-506594,"Oprea1 506594","PD153035 Analog 29",BDBM353,T2035}

> <pdid>
PD055887

> <targets>
{EGFR,JAK3}

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

> <pubchem_cids>
{3798}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 25 28  0  0  0  0            999 V2000
    1.7140   -7.2404    0.0000 O   0  0
    1.2457   -5.8153    0.0000 C   0  0
    2.2461   -4.6976    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
   -1.2256   -6.6258    0.0000 N   0  0
   -0.8994   -8.0768    0.0000 C   0  0
    0.4744   -8.6791    0.0000 O   0  0
   -2.1980   -8.8260    0.0000 C   0  0
   -2.5101  -10.2931    0.0000 C   0  0
   -3.9368  -10.7564    0.0000 C   0  0
   -5.0513   -9.7525    0.0000 C   0  0
   -4.7392   -8.2853    0.0000 C   0  0
   -3.3125   -7.8221    0.0000 C   0  0
   -2.7027   -6.4525    0.0000 C   0  0
   -3.4449   -5.1490    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
  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  6  1  0
 14  9  1  0
  4 15  1  0
 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
 23 24  1  0
 24 15  1  0
 24 25  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25270

> <plate>
PLATE 002

> <well>
G3

> <supplier_cmpd_name>
RG108

> <ctcr_id>
5780

> <supplier_cmpd_id>
T2038

> <smiles>
OC(=O)C(Cc1c[nH]c2ccccc12)N3C(=O)c4ccccc4C3=O

> <pd_targets>
{SSSIM,PKM,DNMT1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Writer,"DNA methyltransferase"}

> <pathway_chembl>
{Enzymes,"2.7.1.40 Pyruvate kinases","2.1.1.- Methyltransferases"}

> <pathway_reactome>
{Metabolism,"Metabolism of proteins","Metabolism of carbohydrates","Post-translational protein modification","Glucose metabolism",SUMOylation,Glycolysis,"SUMO E3 ligases SUMOylate target proteins","SU
MOylation of DNA methylation proteins"}

> <broad_targets>
{DNMT1,DNMT3B}

> <broad_moa>
{"DNA methyltransferase inhibitor"}

> <synonyms>
{NSC401077,"DNA Methyltransferase Inhibitor",32675-71-1,32675711,"2-(1,3-dioxoisoindol-2-yl)-3-(1H-indol-3-yl)propanoic acid","2(1,3dioxoisoindol2yl)3(1Hindol3yl)propanoic acid",MLS000757170,CHEMBL383
475,"2-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-3-(1H-indol-3-yl)-propionic acid","2(1,3Dioxo1,3dihydroisoindol2yl)3(1Hindol3yl)propionic acid",NSC-401077,2-(1,2(1,3-Dioxo-1,3Dioxo1,3-dih,3dih,13302,S282
1,"NSC 401077",RG-108,RG108}

> <pdid>
PD003628

> <targets>
{"DNA Methyltransferase",Transferase}

> <classes>
{Epigenetics}

> <pubchem_cids>
{344265}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 30 32  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
   -3.8912   -5.2578    0.0000 C   0  0
   -5.1887   -6.0105    0.0000 O   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 N   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 N   0  0
    2.5925    6.0081    0.0000 N   0  0
    2.5879    7.5089    0.0000 C   0  0
    3.8831    8.2656    0.0000 C   0  0
    3.8756    9.7655    0.0000 C   0  0
    2.5727   10.5090    0.0000 C   0  0
    1.2775    9.7524    0.0000 C   0  0
    1.2851    8.2524    0.0000 C   0  0
    2.5621   12.0098    0.0000 O   0  0
    1.2575   12.7517    0.0000 C   0  0
    1.2468   14.2517    0.0000 F   0  0
   -0.0364   11.9929    0.0000 F   0  0
   -0.0467   13.4927    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  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  3 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
 15 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  1  0
 27 29  1  0
 27 30  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25271

> <plate>
PLATE 002

> <well>
G4

> <supplier_cmpd_name>
GNF-5

> <ctcr_id>
11899

> <supplier_cmpd_id>
T1803

> <smiles>
c1cc(cc(c1)C(=O)NCCO)c1cc(ncn1)Nc1ccc(cc1)OC(F)(F)F

> <pd_targets>
{ABL1,BCR}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Atypical protein kinase group","Tyrosine protein kinase Abl family","Atypical protein kinase BCR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Abl family"}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Parasite infection","Leishmania phagocytosis","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{ABL1,BCR}

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

> <synonyms>
{NF,GNF-5,GNF5,778277-15-9,778277159,"GNF 5",UNII-3ZUA56XMQQ,UNII3ZUA56XMQQ,3ZUA56XMQQ,CHEMBL1257423,MLS003230941,SCHEMBL924071,GTPL8065,AMMD00043,AOB6612,EX-A312,EXA312,HMS3653H13,HMS3744C21,BCP08970
,2436AH,ABP001115,BDBM50328152,MFCD16877246,s7526,ZINC64539753,AKOS022179178,AM85912,T1803}

> <pdid>
PD003245

> <targets>
{Bcr-Abl,SARS-CoV}

> <classes>
{Angiogenesis,Cytoskeletal Signaling,Anti-infection,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{44129660}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 18 20  0  0  0  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
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -0.3115    2.9665    0.0000 C   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
    3.8934   -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  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
 10  6  1  0
  7 11  1  0
 11 12  2  0
 12  4  1  0
  2 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_L8000_Stem cell Differentiation Compound Library

> <id>
25272

> <plate>
PLATE 002

> <well>
G5

> <supplier_cmpd_name>
OAC2

> <ctcr_id>
11900

> <supplier_cmpd_id>
T2019

> <smiles>
O=C(Nc1cc2c([nH]cc2)cc1)c1ccccc1

> <pd_targets>
{AMPC,MAPT,RORC,NPC1,RAB9A,PYK}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Transcription factor",Transporter,Hydrolase,"Nuclear receptor",Transferase,"Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuc
lear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,Transporters,"Nuclear hormone receptors","SLC superfamily of solute carriers","1F. Retinoic acid-related orphans","SLC65 NPC-type cholesterol transporters"}

> <pathway_reactome>
{"Neuronal System","Gene expression (Transcription)","Transport of small molecules","Signal Transduction","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Plasma lipoprotein 
assembly",remodeling,"and clearance","Signaling by Rho GTPases","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Plasma lipoprotein clearance","Rho GT
Pase cycle","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","LDL clearance","RHOBTB GTPase Cycle","Post NMDA receptor activation events","RUNX3 Regulates I
mmune Response and Cell Migration","RHOBTB3 ATPase cycle","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{POU5F1}

> <broad_moa>
{"Oct activator"}

> <synonyms>
{OAC2,6019-39-2,6019392,N-(1H-indol-5-yl)benzamide,N(1Hindol5yl)benzamide,5-benzoylaminoindole,5benzoylaminoindole,N-1h-indol-5-yl-benzamide,N1hindol5ylbenzamide,OAC-2,5-Benzamidoindole,5Benzamidoindo
le,Maybridge3_002618,Maybridge3002618,Maybridge3-002618,"Maybridge3 002618",Oprea1_121826,Oprea1121826,Oprea1-121826,"Oprea1 121826",MLS000860608,"OAC-2;OAC 2","OAC2;OAC 2",SCHEMBL4761937,CHEMBL146427
6,EX-A906,EXA906,HMS1438G22,HMS2804E03,ZINC155234,BCP15715,T2019}

> <pdid>
PD012800

> <targets>
{OCT4}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{2814138}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 23 25  0  0  1  0            999 V2000
    9.0685    5.2795    0.0000 C   0  0
    9.0758    3.7795    0.0000 N   0  0
    7.7802    3.0220    0.0000 S   0  0
    6.4773    3.7652    0.0000 O   0  0
    7.7722    4.5219    0.0000 O   0  0
    7.7876    1.5211    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0  2  0  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  0  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
    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
    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
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
 10 13  1  1
 13 14  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
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25273

> <plate>
PLATE 002

> <well>
G6

> <supplier_cmpd_name>
Oclacitinib

> <ctcr_id>
11523

> <supplier_cmpd_id>
T2012

> <smiles>
CNS(=O)(=O)C[C@@H]1CC[C@H](CC1)N(C)c1ncnc2c1cc[nH]2

> <pd_targets>
{JAK3,JAK1,JAK2,TYK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase JakA family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Cytokine Signaling in Immune system",Mitotic,"Signaling by Interleukins","Interferon Signaling","Mitotic G1 phase and G1/S transition","Interleukin-2 family signaling","
Antiviral mechanism by IFN-stimulated genes","G1 Phase","Interferon alpha/beta signaling","Interleukin-15 signaling","ISG15 antiviral mechanism","Cyclin D associated events in G1","Regulation of IFNA 
signaling"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{OCLACITINIB,1208319-26-9,1208319269,PF-03394197,PF03394197,JAKI,PF-03394197(Oclacitinib),PF03394197(Oclacitinib),UNII-99GS5XTB51,UNII99GS5XTB51,99GS5XTB51,CHEMBL2103874,Apoquel,"Oclacitinib (USAN:INN
)","Oclacitinib (USAN)","Apoquel (veterinary use)",SCHEMBL261673,SCHEMBL261679,Oclacitinib,PF,T2012}

> <pdid>
PD017398

> <targets>
{JAKs}

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

> <pubchem_cids>
{44631938}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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
   -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
   -3.8933   -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 C   0  0
   -7.5445   -6.5046    0.0000 C   0  0
   -6.5408   -5.3899    0.0000 S   0  0
   -7.4048   -9.1747    0.0000 C   0  0
   -6.6188  -10.4464    0.0000 C   0  0
   -7.3303  -11.7669    0.0000 C   0  0
   -8.8296  -11.8110    0.0000 N   0  0
   -9.6175  -10.5346    0.0000 C   0  0
   -8.9061   -9.2141    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  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 13  1  0
 15 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
  7 24  2  0
 24  3  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25274

> <plate>
PLATE 002

> <well>
G7

> <supplier_cmpd_name>
RKI-1313

> <ctcr_id>
11901

> <supplier_cmpd_id>
T2011

> <smiles>
COc1cccc(CNC(=O)Nc2nc(cs2)c2ccncc2)c1

> <pd_targets>
{ROCK1,ROCK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase DMPK family","AGC protein kinase ROCK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","DMPK family","Rho kinase"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","Semaphorin interactions","Sema4D in semaphorin signaling","Sema4D induced cell migration and growth-cone collapse"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{KI131,1342276-76-9,1342276769,RKI-1313,RKI1313,1-(3-methoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-2-yl)urea,1(3methoxybenzyl)3(4(pyridin4yl)thiazol2yl)urea,1-(3-Methoxybenzyl)-3-(4-(pyridin-4-yl)thiazol-
2-yl)urea,1(3Methoxybenzyl)3(4(pyridin4yl)thiazol2yl)urea,"1-((3-methoxyphenyl)methyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)urea","1((3methoxyphenyl)methyl)3(4pyridin4yl1,3thiazol2yl)urea",SCHEMBL255820
8,CHEMBL3218006,AOB5018,EX-,EX,T2011}

> <pdid>
PD056019

> <targets>
{ROCK1,ROCK2}

> <classes>
{"Cell Cycle/Checkpoint","Stem Cells"}

> <pubchem_cids>
{53492330}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25275

> <plate>
PLATE 002

> <well>
G8

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 16 18  0  0  0  0            999 V2000
    3.1202   -2.0921    0.0000 O   0  0
    1.6281   -2.2462    0.0000 C   0  0
    1.0157   -3.6164    0.0000 N   0  0
    1.8954   -4.8324    0.0000 C   0  0
    1.9985   -6.2503    0.0000 C   0  0
    3.2120   -5.3685    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 N   0  0
    0.0000    2.7767    0.0000 C   0  0
    1.1393    3.7252    0.0000 S   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  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  7  2  0
  9 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_L8000_Stem cell Differentiation Compound Library

> <id>
25276

> <plate>
PLATE 002

> <well>
G9

> <supplier_cmpd_name>
Isx 9

> <ctcr_id>
8261

> <supplier_cmpd_id>
T2003

> <smiles>
O=C(NC1CC1)c2cc(on2)c3sccc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{NEUROD1}

> <broad_moa>
{"neural stem cell inducer"}

> <synonyms>
{3211562,832115-62-5,832115625,ISX-9,ISX9,"isx 9","Isoxazole 9",Isx9,N-Cyclopropyl-5-(thiophen-2-yl)isoxazole-3-carboxamide,NCyclopropyl5(thiophen2yl)isoxazole3carboxamide,"Isoxazole 9 (ISX-9)","Isoxa
zole 9 (ISX9)","N-cyclopropyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide","Ncyclopropyl5thiophen2yl1,2oxazole3carboxamide",N-Cyclopropyl-5-(2-thienyl)-3-isoxazolecarboxamide,NCyclopropyl5(2thienyl)3iso
xazolecarboxamide,N-cycloprop,Ncycloprop,T2003,4439,16165,"Isx 9","ISX 9","neuronal differentiation inducer III"}

> <pdid>
PD003425

> <targets>
{Calcium Channel}

> <classes>
{Membrane Transporter/Ion Channel,Neuronal Signaling}

> <pubchem_cids>
{19582717}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25277

> <plate>
PLATE 002

> <well>
G10

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25278

> <plate>
PLATE 002

> <well>
G11

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 24 26  0  0  0  0            999 V2000
    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
    2.5972    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
    3.8933    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
    7.7911    6.0075    0.0000 C   0  0
    7.7935    7.5076    0.0000 C   0  0
    9.0937    8.2556    0.0000 C   0  0
   10.3916    7.5036    0.0000 C   0  0
   10.3893    6.0036    0.0000 C   0  0
    9.0891    5.2556    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
  1  2  2  0
  1  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
  4  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  2  0
 23 18  1  0
  1 24  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25279

> <plate>
PLATE 002

> <well>
H2

> <supplier_cmpd_name>
Kartogenin

> <ctcr_id>
11674

> <supplier_cmpd_id>
T1748

> <smiles>
C(=O)(c1c(cccc1)C(=O)Nc1ccc(cc1)c1ccccc1)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{FLNA}

> <broad_moa>
{"chondrocyte differentiation stimulator"}

> <synonyms>
{Kartogenin,4727-31-5,4727315,"2-((1,1'-Biphenyl)-4-ylcarbamoyl)benzoic acid","2((1,1'Biphenyl)4ylcarbamoyl)benzoic acid","2-((4-phenylphenyl)carbamoyl)benzoic acid","2((4phenylphenyl)carbamoyl)benzoi
c acid",UNII-Q93BBN11CP,UNIIQ93BBN11CP,"N-Biphenyl-4-yl-phthalamic acid","NBiphenyl4ylphthalamic acid","2-(((1,1'-biphenyl)-4-ylamino)carbonyl)benzoic acid","2(((1,1'biphenyl)4ylamino)carbonyl)benzoic
 acid",Q93BBN11CP,C20H15NO3,2-(bi,2(bi,T1748}

> <pdid>
PD012465

> <targets>
{Smad4,Smad5}

> <classes>
{"Stem Cells"}

> <pubchem_cids>
{2826191}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 26 29  0  0  0  0            999 V2000
    7.5955    2.7333    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    4.2568    0.5878    0.0000 C   0  0
    5.7171    0.9385    0.0000 N   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
    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
   -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 N   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
  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  8  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 20  2  0
 20 21  1  0
 21 16  1  0
 21 22  2  0
 22 13  1  0
 10 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25280

> <plate>
PLATE 002

> <well>
H3

> <supplier_cmpd_name>
SB525334

> <ctcr_id>
5800

> <supplier_cmpd_id>
T1763

> <smiles>
Cc1cccc(n1)c2[nH]c(nc2c3ccc4nccnc4c3)C(C)(C)C

> <pd_targets>
{MTOR,SMAD3,TGFB1,TGFBR1}

> <pathway_gtopdb>
{Enzyme,"Secreted protein",Kinase,"Protein Kinase","Atypical protein kinase group","TKL protein kinase group","Atypical protein kinase PIKK family","TKL protein kinase STKR family","Atypical protein k
inase FRAP subfamily","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors",Atypical,"Receptor kinases","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","TKL: Tyrosine kinase-like","FRAP subfamily"
,"Receptor serine/threonine kinase (RSTK) family","Type I receptor serine/threonine kinases"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Generic Transcription Pathway","Signali
ng by TGF-beta Receptor Complex in Cancer","Transcriptional Regulation by TP53","Loss of Function of SMAD2/3 in Cancer","Regulation of TP53 Activity","SMAD2/3 Phosphorylation Motif Mutants in Cancer",
"Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{356559-20-1,356559201,"SB 525334",SB-525334,SB525334,6-(2-(tert-Butyl)-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline,6(2(tertButyl)5(6methylpyridin2yl)1Himidazol4yl)quinoxaline,6-(2-TERT-BUTY
L-5-(6-METHYL-PYRIDIN-2-YL)-1H-IMIDAZOL-4-YL)-QUINOXALINE,6(2TERTBUTYL5(6METHYLPYRIDIN2YL)1HIMIDAZOL4YL)QUINOXALINE,CHEMBL401570,MFCD11045307,6-(2-tert-butyl-5-(6-methylpyr,6(2tertbutyl5(6methylpyr,T1
763,S1476}

> <pdid>
PD003675

> <targets>
{ALK,TGF-beta/Smad}

> <classes>
{TGF-beta/Smad}

> <pubchem_cids>
{9967941}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25281

> <plate>
PLATE 002

> <well>
H4

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 18 19  0  0  0  0            999 V2000
   -2.9219   -7.3758    0.0000 C   0  0
   -1.4309   -7.5400    0.0000 C   0  0
   -0.5420   -6.3307    0.0000 O   0  0
    0.9498   -6.4949    0.0000 C   0  0
    1.5527   -7.8684    0.0000 O   0  0
    1.8372   -5.2877    0.0000 C   0  0
    3.3372   -5.2929    0.0000 C   0  0
    3.8056   -3.8679    0.0000 S   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.3786   -3.8595    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 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
  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  2  0
 10  6  1  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
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25282

> <plate>
PLATE 002

> <well>
H5

> <supplier_cmpd_name>
O4I2

> <ctcr_id>
11902

> <supplier_cmpd_id>
T2437

> <smiles>
CCOC(=O)c1csc(n1)Nc1ccc(cc1)Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{O4I2,165682-93-9,165682939,"ETHYL 2-(4-CHLOROPHENYLAMINO)-4-THIAZOLECARBOXYLATE","ETHYL 2(4CHLOROPHENYLAMINO)4THIAZOLECARBOXYLATE","Ethyl 2-((4-chlorophenyl)amino)thiazole-4-carboxylate","Ethyl 2((4c
hlorophenyl)amino)thiazole4carboxylate","ethyl 2-((4-chlorophenyl)amino)-1,3-thiazole-4-carboxylate","ethyl 2((4chlorophenyl)amino)1,3thiazole4carboxylate","4-Thiazolecarboxylic acid","4Thiazolecarbox
ylic acid",2-((4-chlorophenyl)amino)-,2((4chlorophenyl)amino),ethyl,T2437}

> <pdid>
PD012282

> <targets>
{OCT3,OCT4}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{53428670}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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
   -1.2990    0.7500    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 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
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -9.0967    3.7462    0.0000 C   0  0
   -9.0947    5.2471    0.0000 C   0  0
   -9.0926    6.7471    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  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  1  0
 18 19  3  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25283

> <plate>
PLATE 002

> <well>
H6

> <supplier_cmpd_name>
O4I1

> <ctcr_id>
11903

> <supplier_cmpd_id>
T2439

> <smiles>
COc1ccc(cc1)COc1ccc(cc1)CC#N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{POU5F1}

> <broad_moa>
{"Oct inducer"}

> <synonyms>
{O4I1,2-(4-((4-Methoxybenzyl)oxy)phenyl)acetonitrile,4-((4-Methoxyphenyl)methoxy)benzeneacetonitrile,2-(4-((4-methoxyphenyl)methoxy)phenyl)acetonitrile,2-(4-(4-methoxybenzyloxy)phenyl)acetonitrile,"Be
nzeneacetonitrile, 4-((4-methoxyphenyl)methoxy)-",2-(4-((4-methoxybenzyl)oxy)phenyl)acetonitrile,2-(4-(4-Methoxybenzyloxy)phenyl)acetonitrile,Maybridge1_001630,Oprea1_105353,SCHEMBL3520397,CHEMBL35817
64,HMS546C02,ZINC92904,DTXSID90379176,O4I-1,BCP16033,9067AA,ANW-71946,MFCD00067778,"O4I-1; O4I 1",s7943,AKOS000174523,CCG-266991,CS-5064,MCULE-2807079716,AC-32701,AK-60717,AS-68367,HY-18771,FT-0610904
,J3.583.559H,(4-((4-Methoxyphenyl)methoxy)phenyl)acetonitrile,2-(4-((4-Methoxyphenyl)methoxy)phenyl)-acetonitrile,T2439}

> <pdid>
PD012283

> <targets>
{OCT3,OCT4}

> <classes>
{"Membrane transporter/Ion channel"}

> <pubchem_cids>
{2774690}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 27 28  0  0  0  0            999 V2000
   12.5963   -1.2874    0.0000 H   0  3
   10.0963   -1.2874    0.0000 Cl  0  5
    7.5955    2.7333    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    4.2568    0.5878    0.0000 C   0  0
    5.7171    0.9385    0.0000 N   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
    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
   -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
    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
  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
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 10  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  1  0
 21 22  1  0
 22 18  1  0
 22 23  2  0
 23 15  1  0
 12 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25284

> <plate>
PLATE 002

> <well>
H7

> <supplier_cmpd_name>
SB-505124

> <ctcr_id>
3917

> <supplier_cmpd_id>
T2462

> <smiles>
[H+].[Cl-].Cc1cccc(n1)c2[nH]c(nc2c3ccc4OCOc4c3)C(C)(C)C

> <pd_targets>
{TGFBR1,MAPK14,RORC,ACVR1B,RIPK2}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Kinase,"Nuclear receptor","Protein Kinase","Nuclear hormone receptor subfamily 1","TKL protein kinase group","CMGC protein kinase group","Nuclear hormone receptor subfam
ily 1 group F","TKL protein kinase STKR family","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","TKL protein kinase RIPK family","TKL protein kinase STKR Type
 1 subfamily","CMGC protein kinase p38 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphans","TKL:
 Tyrosine kinase-like","Mitogen-activated protein kinases (MAP kinases)","Receptor serine/threonine kinase (RSTK) family","p38 subfamily","Receptor interacting protein kinase (RIPK) family","Type I re
ceptor serine/threonine kinases"}

> <pathway_reactome>
{Disease,"Immune System","Gene expression (Transcription)","Developmental Biology","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","RNA Polyme
rase II Transcription","Signaling by NODAL","Signaling by TGF-beta Receptor Complex in Cancer","Toll-like Receptor Cascades","Generic Transcription Pathway","Regulation of signaling by NODAL","Loss of
 Function of SMAD2/3 in Cancer","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX3","SMAD2/3 Phosphorylation Motif Mutants in Cancer","MyD88 cascade initiated on plasma membran
e","RUNX3 Regulates Immune Response and Cell Migration","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","Activation of the 
AP-1 family of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{5655913,356559-13-2,356559132,"SB-505124 hydrochloride","SB505124 hydrochloride","SB-505124 (hydrochloride)","SB505124 (hydrochloride)","SB-505124 HCl","SB505124 HCl",CHEMBL1824446,"356559-13-2 (HCl)
","356559132 (HCl)","SB 505124 hydrochloride",C20H21N3O2.ClH,SCHEMBL140197,BCP19172,3103AH,HY-13521A,HY13521A,Trans,T2462,"EMD 616453",SB-505124,616453}

> <pdid>
PD010836

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{16079009}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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
   -2.5988    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 O   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -3.9005    5.2525    0.0000 C   0  0
   -2.6017    6.0029    0.0000 O   0  0
   -5.2002    6.0029    0.0000 N   0  0
   -5.2012    7.5037    0.0000 C   0  0
   -6.4992    8.2556    0.0000 C   0  0
   -6.4971    9.7556    0.0000 C   0  0
   -5.1970   10.5038    0.0000 C   0  0
   -5.1980   12.0046    0.0000 C   0  0
   -3.8992   12.7551    0.0000 O   0  0
   -6.4970   12.7546    0.0000 O   0  0
   -3.8990    9.7520    0.0000 C   0  0
   -2.5989   10.5002    0.0000 O   0  0
   -3.9011    8.2520    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  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
 20 22  2  0
 19 23  1  0
 23 24  1  0
 23 25  2  0
 25 16  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25285

> <plate>
PLATE 002

> <well>
H8

> <supplier_cmpd_name>
S3I-201

> <ctcr_id>
4775

> <supplier_cmpd_id>
T2505

> <smiles>
Cc1ccc(cc1)[S](=O)(=O)OCC(=O)Nc2ccc(C(O)=O)c(O)c2

> <pd_targets>
{STAT3,CTDSP1,SIRT5}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Epigenetic regulator",Phosphatase,Eraser,"Protein Phosphatase","Histone deacetylase","Serine/threonine protein phosphatase","HDAC class III"}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Transcription factors","Chromatin modifying enzymes","STAT transcription factors","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Organelle biogenesis and maintenance","Diseases of signal transduction by growth factor receptors and second messengers","Mitochondrial biogenesis","Signaling by FGFR in disease","Transcript
ional activation of mitochondrial biogenesis","Signaling by FGFR1 in disease","FGFR1 mutant receptor activation","Signaling by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
{STAT3}

> <broad_moa>
{"STAT inhibitor"}

> <synonyms>
{3I20,501919-59-1,501919591,"Nsc 74859",S3I-201,S3I201,S31-201,S31201,"2-hydroxy-4-(2-(tosyloxy)acetamido)benzoic acid","2hydroxy4(2(tosyloxy)acetamido)benzoic acid",NSC-74859,NSC74859,UNII-JG1E8503OI
,UNIIJG1E8503OI,MLS002701911,JG1E8503OI,"NSC 74859 (S3I-201)","NSC 74859 (S3I201)","2-Hydroxy-4-((2-(((4-methylphenyl)sulfonyl)oxy)acetyl)amino)benzoic acid","2Hydroxy4((2(((4methylphenyl)sulfonyl)oxy
)acetyl)amino)benzoic acid",T2505,S1155,"S3I-201 (NSC 74859)"}

> <pdid>
PD003668

> <targets>
{STAT}

> <classes>
{JAK/STAT,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{252682}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 24  0  0  0  0            999 V2000
   -5.3894   -6.7591    0.0000 C   0  0
   -3.9504   -7.1827    0.0000 O   0  0
   -2.8628   -6.1485    0.0000 C   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 C   0  0
   -3.2175   -4.6910    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 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    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
    0.0000   -1.5000    0.0000 C   0  0
    3.8794   -1.4442    0.0000 N   0  3
    4.3452   -0.0183    0.0000 O   0  5
    4.8818   -2.5602    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  1  0
 10 11  1  0
 10 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  2  0
 19  9  1  0
 19 13  1  0
 12 20  1  0
 20 21  1  0
 20 22  2  0
M  CHG  2  20   1  21  -1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25286

> <plate>
PLATE 002

> <well>
H9

> <supplier_cmpd_name>
ID-8

> <ctcr_id>
7883

> <supplier_cmpd_id>
T2431

> <smiles>
COc1ccc(cc1)n2c(C)c(c3ccc(O)cc23)[N+]([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{D,ID-8,ID8,147591-46-6,147591466,1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol,1(4Methoxyphenyl)2methyl3nitro1Hindol6ol,"ID 8",1-(4-methoxyphenyl)-2-methyl-3-nitroindol-6-ol,1(4methoxyphenyl)2me
thyl3nitroindol6ol,"Cambridge id 5280205",Oprea1_439044,Oprea1439044,Oprea1-439044,"Oprea1 439044",Oprea1_684907,Oprea1684907,Oprea1-684907,"Oprea1 684907",CBDivE_013358,CBDivE013358,CBDivE-013358,"CB
DivE 013358",MLS006011013,SCHEMBL4063265,CHEMBL3185434,AOB5765,DTXSID0035510,T2431,S7327}

> <pdid>
PD010349

> <targets>
{DYRK}

> <classes>
{Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{791637}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 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
   -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  3
   -2.5951   -3.0031    0.0000 O   0  0
   -3.8976   -0.7554    0.0000 O   0  5
    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
    5.1939    3.0097    0.0000 C   0  0
    6.4914    3.7624    0.0000 C   0  0
    6.4883    5.2624    0.0000 C   0  0
    5.1877    6.0097    0.0000 C   0  0
    3.8902    5.2570    0.0000 C   0  0
    5.1846    7.5097    0.0000 Cl  0  0
    5.1970    1.5097    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  2  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
  3 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  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
 19 21  1  0
 16 22  1  0
M  CHG  2   8   1  10  -1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25287

> <plate>
PLATE 002

> <well>
H10

> <supplier_cmpd_name>
FH535

> <ctcr_id>
11580

> <supplier_cmpd_id>
T2413

> <smiles>
Cc1c(ccc(c1)[N+](=O)[O-])NS(=O)(=O)c1c(ccc(c1)Cl)Cl

> <pd_targets>
{SLC9A3R1}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{PPARD,PPARG}

> <broad_moa>
{"PPAR receptor antagonist","WNT signaling inhibitor"}

> <synonyms>
{FH535,108409-83-2,108409832,"2,5-dichloro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide","2,5dichloroN(2methyl4nitrophenyl)benzenesulfonamide","beta-Catenin/Tcf Inhibitor, FH535","betaCatenin/Tcf Inhi
bitor, FH535",FH-535,"N-(2-Methyl-4-nitrophenyl)-2,5-dichlorobenzenesulfonamide","N(2Methyl4nitrophenyl)2,5dichlorobenzenesulfonamide","FH 535",C13H10Cl2N2O4S,CHEMBL2363137,2,5-dichloro-N-(2-methyl-4-
ni,5dichloroN(2methyl4ni,T2413}

> <pdid>
PD010299

> <targets>
{PPAR¦Ã,PPAR¦Ä,Wnt/¦Â-catenin,PPAR,Wnt,²-catenin}

> <classes>
{Cytoskeletal Signaling,Metabolism,Stem Cells,Cell Cycle/DNA Damage,Stem Cell/Wnt}

> <pubchem_cids>
{3463933}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 32 36  0  0  0  0            999 V2000
    4.8817   -2.5602    0.0000 C   0  0
    3.8794   -1.4442    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
   -0.5701   -4.1788    0.0000 C   0  0
    0.0400   -5.5491    0.0000 C   0  0
   -0.8397   -6.7651    0.0000 N   0  0
   -0.2273   -8.1353    0.0000 C   0  0
   -1.1047   -9.3519    0.0000 C   0  0
   -0.4898  -10.7201    0.0000 C   0  0
    1.0025  -10.8718    0.0000 N   0  0
    1.8800   -9.6552    0.0000 C   0  0
    3.3734   -9.8038    0.0000 N   0  0
    4.2496   -8.5854    0.0000 C   0  0
    5.7431   -8.7340    0.0000 C   0  0
    6.6193   -7.5155    0.0000 C   0  0
    8.1128   -7.6642    0.0000 N   0  0
    8.9903   -6.4476    0.0000 C   0  0
   10.4826   -6.5992    0.0000 C   0  0
   11.0975   -7.9674    0.0000 O   0  0
   10.2200   -9.1840    0.0000 C   0  0
    8.7277   -9.0324    0.0000 C   0  0
    1.2651   -8.2870    0.0000 N   0  0
    1.5318   -5.7059    0.0000 C   0  0
    2.4135   -4.4923    0.0000 C   0  0
    1.8032   -3.1233    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  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  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 23  1  0
 18 29  2  0
 29 14  1  0
 12 30  2  0
 30 31  1  0
 31 32  2  0
 32  3  1  0
 32 10  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25288

> <plate>
PLATE 002

> <well>
H11

> <supplier_cmpd_name>
EHop-016

> <ctcr_id>
2612

> <supplier_cmpd_id>
T2427

> <smiles>
CCn1c2ccccc2c3cc(Nc4ccnc(NCCCN5CCOCC5)n4)ccc13

> <pd_targets>
{RAC1}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <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>
{RAC1,RAC3}

> <broad_moa>
{"Ras GTPase inhibitor"}

> <synonyms>
{HOP01,EHop-016,EHop016,1380432-32-5,1380432325,"EHop 016","N4-(9-Ethyl-9H-carbazol-3-yl)-N2-(3-morpholinopropyl)pyrimidine-2,4-diamine","N4(9Ethyl9Hcarbazol3yl)N2(3morpholinopropyl)pyrimidine2,4diami
ne",CHEMBL3237589,C25H30N6O,SCHEMBL15087053,GTPL11061,AOB1274,EX-A779,EXA779,SYN5172,HMS3653G12,BCP09978,BDBM50007190,MFCD23143628,s7319,Z,T2427,S7319,EHop-016}

> <pdid>
PD010353

> <targets>
{Rac}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{51031035}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25289

> <plate>
PLATE 003

> <well>
A2

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 29 32  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
   -2.5987    1.5004    0.0000 C   0  0
   -3.9492    0.8772    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -4.2067    3.2905    0.0000 N   0  0
   -2.7390    2.9810    0.0000 N   0  0
   -1.6193    3.9803    0.0000 C   0  0
   -0.1673    3.6256    0.0000 C   0  0
    0.8689    4.7101    0.0000 C   0  0
    0.4478    6.1498    0.0000 C   0  0
   -1.0096    6.5049    0.0000 C   0  0
   -2.0458    5.4204    0.0000 C   0  0
    1.4846    7.2349    0.0000 S   0  0
    1.0630    8.6745    0.0000 N   0  0
    2.9422    6.8807    0.0000 O   0  0
    2.5203    8.3200    0.0000 O   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
   -8.7329    3.0637    0.0000 C   0  0
   -7.2337    3.1102    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  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13  9  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
 20 21  1  0
 20 22  2  0
 20 23  2  0
 11 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
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25290

> <plate>
PLATE 003

> <well>
A3

> <supplier_cmpd_name>
ML141

> <ctcr_id>
7619

> <supplier_cmpd_id>
T2463

> <smiles>
COc1ccc(cc1)C2CC(=NN2c3ccc(cc3)[S](N)(=O)=O)c4ccccc4

> <pd_targets>
{MAPT,ATM,NPSR1,PDE5A,ALDH1A1,KDM4E,GLA,GAA,IMPA1}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Membrane receptor","Epigenetic regulator",Kinase,"Family A G protein-coupled receptor",Phosphodiesterase,Oxidoreductase,Eraser,Hydrolase,"Protein Kinase","Peptide re
ceptor (family A GPCR)","Phosphodiesterase 5","Lysine demethylase","Atypical protein kinase group","Short peptide receptor (family A GPCR)","Phosphodiesterase 5A","Jumonji domain-containing","Atypical
 protein kinase PIKK family","Neuropeptide receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","G protein-coupled receptors","Cyclic nucleotide turnover/signalling","Chromatin modifying enzymes","3.2.1.- Glycosidases","Inositol phosphate turnover",Atypi
cal,"Neuropeptide S receptor",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","1.14.11.- Histone demethylases","Inositol monophosphatase","Phosphatidyl inositol 3' kinase-related kinases (PIKK) fa
mily","Other PIKK family kinases"}

> <pathway_reactome>
{"Neuronal System","Cell Cycle",Disease,Hemostasis,Metabolism,"Transmission across Chemical Synapses","Cell Cycle Checkpoints","Infectious disease","Platelet homeostasis","Biological oxidations","Meta
bolism of lipids","Diseases of metabolism","Inositol phosphate metabolism","Neurotransmitter receptors and postsynaptic signal transmission","G1/S DNA Damage Checkpoints","Leishmania infection","Nitri
c oxide stimulates guanylate cyclase","Phase I - Functionalization of compounds","Sphingolipid metabolism","Diseases of carbohydrate metabolism","Synthesis of IP2",IP,"and Ins in the cytosol","Activat
ion of NMDA receptors and postsynaptic events","p53-Dependent G1/S DNA damage checkpoint","Leishmania parasite growth and survival","cGMP effects","Ethanol oxidation","Glycosphingolipid metabolism","G
lycogen storage diseases","Post NMDA receptor activation events","p53-Dependent G1 DNA Damage Response","Anti-inflammatory response favouring Leishmania parasite infection","Glycogen storage disease t
ype II (GAA)","Activation of AMPK downstream of NMDARs","Stabilization of p53","ADORA2B mediated anti-inflammatory cytokines production","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{CDC42}

> <broad_moa>
{"GTPase inhibitor"}

> <synonyms>
{UNM-0000305822,UNM0000305822,71203-35-5,71203355,ML141,"ML 141",ML-141,"4-(3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl)benzenesulfonamide","4(3(4methoxyphenyl)5phenyl3,4dihydropyrazol2yl)ben
zenesulfonamide",CID-2950007,CID2950007,MLS000693334,MLS002699035,KUC103352N-2,KUC103352N2,SMR000299863,MLS006011906,CHEMBL1370630,SCHEMBL12494043,BDBM43220,CHEB,T2463,nan}

> <pdid>
PD010249

> <targets>
{"Cdc42 GTPase Inhibitor"}

> <classes>
{}

> <pubchem_cids>
{2950007}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25291

> <plate>
PLATE 003

> <well>
A4

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 28 32  0  0  0  0            999 V2000
    1.4103   -7.9408    0.0000 C   0  0
    0.9937   -6.4998    0.0000 C   0  0
   -0.4625   -6.1401    0.0000 C   0  0
   -0.8791   -4.6991    0.0000 C   0  0
    0.1606   -3.6178    0.0000 C   0  0
    1.6115   -3.9772    0.0000 C   0  0
    2.0333   -5.4186    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    4.9531   -1.9978    0.0000 N   0  0
    6.3228   -1.3913    0.0000 C   0  0
    6.1683    0.1008    0.0000 C   0  0
    4.7016    0.4150    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    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 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    0.7500    0.0000 C   0  0
    3.8994    3.7477    0.0000 C   0  0
    3.9020    5.2477    0.0000 N   0  0
    5.1973    2.9959    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
  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 10  1  0
 14 15  2  0
 15  8  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 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  1  0
 26 28  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25292

> <plate>
PLATE 003

> <well>
A5

> <supplier_cmpd_name>
Galunisertib

> <ctcr_id>
1906

> <supplier_cmpd_id>
T2510

> <smiles>
Cc1cccc(n1)c2nn3CCCc3c2c4ccnc5ccc(cc45)C(N)=O

> <pd_targets>
{RIPK2,ACVR1B,MAPK14,TGFBR2,KDR,TGFBR1,BMPR1B}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","CMGC protein kinase group","TK protein kinase group","TKL protein kinase RIPK family","TKL protein kinase STKR family","CMGC protein kinase 
MAPK family","Tyrosine protein kinase VEGFR family","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase p38 subfamily","TKL protein kinase STKR Type 2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TKL: Tyrosine kinase-like","Mitogen-activated protein kinases (MAP k
inases)","TK: Tyrosine kinase","Receptor interacting protein kinase (RIPK) family","Receptor serine/threonine kinase (RSTK) family","p38 subfamily","Receptor tyrosine kinases (RTKs)","Type I receptor 
serine/threonine kinases","Type II receptor serine/threonine kinases","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Immune System","Developmental Biology",Disease,"Signal Transduction","Innate Immune System","Signaling by NODAL","Diseases of signal transduction by growth factor receptors and second messengers","S
ignaling by Receptor Tyrosine Kinases","Signaling by TGFB family members","Toll-like Receptor Cascades","Regulation of signaling by NODAL","Signaling by TGF-beta Receptor Complex in Cancer","Signaling
 by VEGF","Signaling by BMP","Toll Like Receptor 5 (TLR5) Cascade","Loss of Function of SMAD2/3 in Cancer","VEGFA-VEGFR2 Pathway","MyD88 cascade initiated on plasma membrane","SMAD2/3 Phosphorylation 
Motif Mutants in Cancer","VEGFR2 mediated cell proliferation","MAP kinase activation","activated TAK1 mediates p38 MAPK activation","MAPK targets/ Nuclear events mediated by MAP kinases","Activation o
f the AP-1 family of transcription factors"}

> <broad_targets>
{TGFBR1}

> <broad_moa>
{"TGF beta receptor inhibitor"}

> <synonyms>
{Galunisertib,700874-72-2,700874722,LY2157299,"LY 2157299",LY-2157299,UNII-3OKH1W5LZE,UNII3OKH1W5LZE,"Galunisertib (LY2157299)",3OKH1W5LZE,ly2157299(galunisertib),"Galunisertib (USAN:INN)",galuniserti
bum,"Galunisertib (USAN)",PubChem22590,GTPL7797,CHEMBL2364611,SCHEMBL129221,T2510,S2230}

> <pdid>
PD003327

> <targets>
{TGF-beta/Smad,TGF-² Receptor}

> <classes>
{TGF-beta/Smad}

> <pubchem_cids>
{10090485}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25293

> <plate>
PLATE 003

> <well>
A6

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 31 35  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
   -2.4133    1.7530    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.5497    4.4223    0.0000 N   0  0
   -1.7974    5.7210    0.0000 C   0  0
   -0.2974    5.7184    0.0000 O   0  0
   -2.5451    7.0223    0.0000 C   0  0
   -1.7928    8.3210    0.0000 S   0  0
   -2.5406    9.6223    0.0000 C   0  0
   -4.0406    9.6224    0.0000 N   0  0
   -4.7906   10.9215    0.0000 C   0  0
   -4.0405   12.2205    0.0000 C   0  0
   -5.0434   13.3348    0.0000 S   0  0
   -6.4138   12.7248    0.0000 C   0  0
   -6.2570   11.2330    0.0000 C   0  0
   -2.5405   12.2204    0.0000 C   0  0
   -1.7905   13.5195    0.0000 O   0  0
   -1.7906   10.9214    0.0000 N   0  0
   -0.2898   10.9214    0.0000 C   0  0
    0.4623    9.6235    0.0000 C   0  0
    1.9623    9.6258    0.0000 C   0  0
    2.7103   10.9260    0.0000 C   0  0
    1.9583   12.2239    0.0000 C   0  0
    0.4583   12.2216    0.0000 C   0  0
   -0.3115    2.9665    0.0000 S   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  3
  7  2  1  0
  5  8  1  0
  8  9  2  3
  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  2  3
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 17  1  0
 18 22  1  0
 22 23  2  0
 22 24  1  0
 24 15  1  0
 24 25  1  0
 25 26  2  3
 26 27  1  0
 27 28  2  3
 28 29  1  0
 29 30  2  3
 30 25  1  0
  9 31  1  0
 31  4  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25294

> <plate>
PLATE 003

> <well>
A7

> <supplier_cmpd_name>
IWP-2

> <ctcr_id>
11675

> <supplier_cmpd_id>
T2702

> <smiles>
CC1=CC2=C(C=C1)N=C(NC(=O)CSC1=NC3=C(SCC3)C(=O)N1C1=CC=CC=C1)S2

> <pd_targets>
{CSNK1E,CSNK1D,PORCN}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","CK1 protein kinase group","CK1 protein kinase CK1 family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Membrane bound O-acyltransferases","CK1: Casein kinase 1","Casein kinase 1 (CK1) family"}

> <pathway_reactome>
{"Cell Cycle",Disease,Mitotic,"Diseases of signal transduction by growth factor receptors and second messengers","Mitotic G2-G2/M phases","Signaling by WNT in cancer","G2/M Transition","LGK974 inhibit
s PORCN","Centrosome maturation","Loss of proteins required for interphase microtubule organization from the centrosome","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{WP,IWP-2,IWP2,686770-61-6,686770616,"IWP 2",CHEMBL1257064,"Wnt Inhibitor IWP-2","Wnt Inhibitor IWP2",F0579-0037,F05790037,SCHEMBL12571758,AOB2584,DTXSID50366724,CHEBI:125649,HMS3652J22,BCP09534,EX-A2
264,EXA2264,ZINC2719689,BDBM50428028,MFCD04457599,NSC753606,s7085,AKOS024457669,CCG-208106,CCG208106,CS-1578,CS1578,MCULE-71,MCULE71,T2702}

> <pdid>
PD010632

> <targets>
{Wnt}

> <classes>
{"Cytoskeletal Signaling","Stem Cells"}

> <pubchem_cids>
{2155128}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 33 37  0  0  0  0            999 V2000
    5.2029   -2.9932    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 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 C   0  0
   -2.4133    1.7530    0.0000 S   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -0.3115    2.9665    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
    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   -1.4887    0.0000 C   0  0
   10.3985   -2.9887    0.0000 C   0  0
    9.0995   -3.7387    0.0000 C   0  0
    7.8004   -2.9887    0.0000 N   0  0
   11.6982   -3.7390    0.0000 C   0  0
   12.9985   -2.9911    0.0000 C   0  0
   14.2964   -3.7431    0.0000 C   0  0
   14.2940   -5.2431    0.0000 C   0  0
   12.9938   -5.9911    0.0000 C   0  0
   11.6959   -5.2391    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  7  1  0
  8 12  1  0
 12 13  2  0
 12 14  1  0
 14  5  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
  2 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
 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_L8000_Stem cell Differentiation Compound Library

> <id>
25296

> <plate>
PLATE 003

> <well>
A9

> <supplier_cmpd_name>
IWP-L6

> <ctcr_id>
7909

> <supplier_cmpd_id>
T2683

> <smiles>
O=C(CSC1=NC2=C(SCC2)C(=O)N1c3ccccc3)Nc4ccc(cn4)c5ccccc5

> <pd_targets>
{PORCN}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Membrane bound O-acyltransferases"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by WNT in cancer","LGK974 inhibits PORCN"}

> <broad_targets>
{PORCN}

> <broad_moa>
{"porcupine inhibitor"}

> <synonyms>
{WPL,IWP-L6,IWPL6,1427782-89-5,1427782895,"IWP L6","Porcn Inhibitor III",CHEMBL2323231,C25H20N4O2S2,SCHEMBL16250224,AOB2791,EX-A754,EXA754,HMS3653I10,BCP08956,2487AH,BDBM50428008,s7301,ZINC95583412,AK
OS024458454,CCG-269466,CCG269466,SB19438,NCGC00379245-06,NCGC0037924506,AC-33056,AC33056,AS-55860,AS55860,DA-33457,DA33457,HY-,HY,T2683,S7301}

> <pdid>
PD010358

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{71601111}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25297

> <plate>
PLATE 003

> <well>
A10

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 33 38  0  0  0  0            999 V2000
    6.1678    0.1022    0.0000 C   0  0
    6.3228   -1.3897    0.0000 C   0  0
    4.9518   -1.9982    0.0000 N   0  0
    4.2018   -3.2949    0.0000 N   0  0
    2.7349   -2.9813    0.0000 C   0  0
    1.6126   -3.9776    0.0000 C   0  0
    0.1615   -3.6188    0.0000 C   0  0
   -0.8777   -4.7004    0.0000 C   0  0
   -0.4606   -6.1413    0.0000 C   0  0
    0.9958   -6.5004    0.0000 C   0  0
    2.0350   -5.4188    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.9494   -0.8823    0.0000 C   0  0
    4.7010    0.4158    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    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
   -3.8963   -3.7531    0.0000 O   0  0
   -3.8941   -5.2539    0.0000 C   0  0
   -5.1923   -6.0070    0.0000 C   0  0
   -5.1902   -7.5079    0.0000 N   0  0
   -6.4866   -8.2624    0.0000 C   0  0
   -6.4814   -9.7624    0.0000 C   0  0
   -5.1798  -10.5079    0.0000 O   0  0
   -3.8833   -9.7534    0.0000 C   0  0
   -3.8885   -8.2534    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
  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
  5 12  1  0
 12 13  2  0
 13  3  1  0
 13 14  1  0
 14  1  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 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 29  1  0
 29 30  1  0
 30 25  1  0
 21 31  2  0
 31 32  1  0
 32 33  2  0
 33 15  1  0
 33 19  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25298

> <plate>
PLATE 003

> <well>
A11

> <supplier_cmpd_name>
LY2109761

> <ctcr_id>
867

> <supplier_cmpd_id>
T2123

> <smiles>
C1Cn2nc(c3ccccn3)c(c2C1)c4ccnc5cc(OCCN6CCOCC6)ccc45

> <pd_targets>
{TGFBR1,TGFBR2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","TKL protein kinase STKR family","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase STKR Type 2 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TKL: Tyrosine kinase-like","Receptor serine/threonine kinase (RSTK) family","Type I receptor serine/threonine kinases","Type II receptor serine/thr
eonine kinases"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by TGF-beta Receptor Complex in Cancer","Loss of Function of SMAD2/3 in Cancer","SMAD2/3 Phosphor
ylation Motif Mutants in Cancer"}

> <broad_targets>
{TGFBR1,TGFBR2}

> <broad_moa>
{"TGF beta receptor inhibitor"}

> <synonyms>
{Q27082613,W-5549,W5549,J-514249,J514249,"LY2109761,CAS:700874-71-1","LY2109761,CAS:700874711",LY2109761,700874-71-1,700874711,"LY 2109761",LY-2109761,C26H27N5O2,"Dihydropyrrolopyrazole, 15d",cc-120,c
c120,MLS006010968,CHEMBL260015,GTPL8075,SCHEMBL3737735,BDBM21509,DTXSID30470111,EX-A071,EXA071,HMS3674E17,AMY,T2123,S2704}

> <pdid>
PD003212

> <targets>
{TGF-beta/Smad}

> <classes>
{TGF-beta/Smad}

> <pubchem_cids>
{11655119}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 31 34  0  0  0  0            999 V2000
    3.8988   -3.7512    0.0000 C   0  0
    2.5997   -3.0012    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
    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
   -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
   -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
  -11.6873    0.7202    0.0000 C   0  0
  -12.9891    1.4654    0.0000 O   0  0
  -11.6824   -0.7798    0.0000 N   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
   -7.0902   -2.7593    0.0000 C   0  0
   -6.3514   -1.4538    0.0000 C   0  0
   -7.7918    1.4876    0.0000 N   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  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  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 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
 23 25  1  0
 22 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 28  1  0
 26 31  2  0
 31 19  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25299

> <plate>
PLATE 003

> <well>
B2

> <supplier_cmpd_name>
Cerdulatinib

> <ctcr_id>
11527

> <supplier_cmpd_id>
T2487

> <smiles>
CCS(=O)(=O)N1CCN(CC1)c1ccc(cc1)Nc1ncc(C(=O)N)c(NC2CC2)n1

> <pd_targets>
{CSF1R,JAK3,JAK2,JAK1,NUAK1,TYK2,SYK,MAP3K9,STK4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","CAMK protein kinase group","TKL protein kinase group","STE protein kinase group","Tyrosine protein kinase PDGFR family","Tyrosine protein kin
ase JakA family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Syk family","TKL protein kinase MLK family","STE protein kinase STE20 family","CAMK protein kinase NuaK subfamily","TKL pro
tein kinase MLK subfamily","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","TK: Tyrosine kinase","CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","STE20 family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","NuaK subfamily","Mixed Line
age Kinase (MLK) family","MST subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Janus kinase (JakA) family","Syk family","MLK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","Cell Cycle",Disease,"Signal Transduction","RNA Polymerase II Transcription","Cytokine Signaling in Immune system",Mitotic,"Infectious disease","Sign
aling by Hippo","Generic Transcription Pathway","Signaling by Interleukins","Mitotic G1 phase and G1/S transition","Interferon Signaling","Leishmania infection","Transcriptional Regulation by VENTX","
Interleukin-2 family signaling","G1 Phase","Antiviral mechanism by IFN-stimulated genes","Transcriptional Regulation by TP53","Interferon alpha/beta signaling","Leishmania parasite growth and survival
","Interleukin-15 signaling","Cyclin D associated events in G1","ISG15 antiviral mechanism","Regulation of TP53 Activity","Regulation of IFNA signaling","Anti-inflammatory response favouring Leishmani
a parasite infection","Regulation of TP53 Activity through Phosphorylation","FCGR3A-mediated IL10 synthesis"}

> <broad_targets>
{SYK}

> <broad_moa>
{"JAK inhibitor","SYK inhibitor"}

> <synonyms>
{Cerdulatinib,1198300-79-6,1198300796,PRT062070,"Cerdulatinib (PRT062070)",UNII-D1LXQ45S1O,UNIID1LXQ45S1O,D1LXQ45S1O,CHEMBL4116008,"PRT 062070",PRT-062070,"Cerdulatinib (INN)",SCHEMBL736734,GTPL8957,B
CP10681,EX-A2143,EXA2143,PRT-2070,PRT2070,BDBM50468574,NSC800071,NSC825827,AKOS026750,T2487}

> <pdid>
PD012477

> <targets>
{JAK,JAK1,JAKs,Syk}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,JAK/STAT signaling,Stem Cells,Epigenetics,JAK/STAT Signaling,Protein Tyrosine Kinase/RTK,Stem Cell/Wnt}

> <pubchem_cids>
{44595079}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25300

> <plate>
PLATE 003

> <well>
B3

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 31 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
    0.0000    3.0000    0.0000 C   0  0
    1.1143    4.0030    0.0000 N   0  0
    2.5804    3.6943    0.0000 C   0  0
    3.0461    2.2684    0.0000 C   0  0
    3.5832    4.8108    0.0000 C   0  0
    5.0515    4.5039    0.0000 C   0  0
    6.0515    5.6219    0.0000 C   0  0
    5.5833    7.0470    0.0000 C   0  0
    4.1151    7.3540    0.0000 C   0  0
    3.1151    6.2360    0.0000 N   0  0
    0.5041    5.3733    0.0000 C   0  0
    1.2541    6.6723    0.0000 O   0  0
   -0.9876    5.2165    0.0000 N   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 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
   -1.2122   -3.8625    0.0000 C   0  0
   -2.6367   -3.3928    0.0000 C   0  0
   -0.7464   -5.2884    0.0000 O   0  0
    0.7536   -5.2860    0.0000 N   0  0
    1.2149   -3.8587    0.0000 C   0  0
    2.6380   -3.3844    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  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
  7 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19  6  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  2  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 30 31  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25301

> <plate>
PLATE 003

> <well>
B4

> <supplier_cmpd_name>
I-BET151

> <ctcr_id>
6564

> <supplier_cmpd_id>
T2120

> <smiles>
COc1cc2c3N(C(C)c4ccccn4)C(=O)Nc3cnc2cc1c5c(C)onc5C

> <pd_targets>
{BRD4,BRD3,CYP2C9,BRD2,CYP3A4,PDE4B,CREBBP}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,"Cytochrome P450",Phosphodiesterase,Writer,Bromodomain,"Cytochrome P450 family 2","Cytochrome P450 family 3","Phosphodiesterase 4","Histone acetyltransferase","Cy
tochrome P450 family 2C","Cytochrome P450 family 3A","Phosphodiesterase 4B","p300/CBP family","Cytochrome P450 2C9","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Cytochrome P450","Cyclic nucleotide turnover/signalling","Bromodomain-containing proteins","Enzymatic bromodomain-containing proteins","
CYP2 family: drug metabolising subset","CYP3 family",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","Non-enzymatic BRD containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{Disease,Metabolism,"Gene expression (Transcription)","Signal Transduction","Infectious disease","Biological oxidations","RNA Polymerase II Transcription","Metabolism of lipids","Signaling by GPCR","S
ARS-CoV Infections","Phase I - Functionalization of compounds","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR downstream signalling","Potential thera
peutics for SARS","Cytochrome P450 - arranged by substrate type","Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","G alpha (i) signalling events","Transcriptional Regulation by
 TP53",Xenobiotics,"RUNX3 regulates p14-ARF","Biosynthesis of maresins","Opioid Signalling","TP53 Regulates Transcription of Cell Death Genes","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","D
ARPP-32 events","TP53 Regulates Transcription of Genes Involved in Cytochrome C Release"}

> <broad_targets>
{BRD2,BRD3,BRD4}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{"BET151 (GSK1210151A",SCHEMBL1904423,I-BET-151,IBET151,HMS3426K13,HMS3656D08,AKOS026750362,NCGC00389506-02,NCGC0038950602,AK-98133,AK98133,T2120,S2780,I-BET151,"I-BET151 (GSK1210151A)"}

> <pdid>
PD003679

> <targets>
{"Epigenetic Reader Domain"}

> <classes>
{Epigenetics}

> <pubchem_cids>
{52934274}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 25 27  0  0  0  0            999 V2000
    4.0363  -14.8198    0.0000 C   0  0
    4.7882  -13.5219    0.0000 O   0  0
    4.0405  -12.2205    0.0000 C   0  0
    2.5405  -12.2205    0.0000 C   0  0
    1.7905  -10.9214    0.0000 C   0  0
    2.5405   -9.6223    0.0000 C   0  0
    1.7928   -8.3210    0.0000 C   0  0
    2.5451   -7.0223    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    0.2974   -5.7184    0.0000 O   0  0
    2.5497   -4.4224    0.0000 N   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 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
    0.3114   -2.9665    0.0000 N   0  0
    4.0406   -9.6224    0.0000 C   0  0
    4.7905  -10.9215    0.0000 C   0  0
    6.2914  -10.9185    0.0000 O   0  0
    7.0396   -9.6184    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 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 20 14  1  0
 20 21  1  0
 21 12  2  0
  6 22  1  0
 22 23  2  0
 23  3  1  0
 23 24  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25302

> <plate>
PLATE 003

> <well>
B5

> <supplier_cmpd_name>
KY02111

> <ctcr_id>
1056

> <supplier_cmpd_id>
T2052

> <smiles>
COc1ccc(CCC(=O)Nc2sc3cc(Cl)ccc3n2)cc1OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{DKK1}

> <broad_moa>
{"WNT pathway inhibitor"}

> <synonyms>
{KY02111,1118807-13-8,1118807138,"KY 02111",KY0211,"N-(6-chlorobenzo(d)thiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide","N(6chlorobenzo(d)thiazol2yl)3(3,4dimethoxyphenyl)propanamide",KY-02111,"N-(6-c
hloro-1,3-benzothiazol-2-yl)-3-(3,4-dimethoxyphenyl)propanamide","N(6chloro1,3benzothiazol2yl)3(3,4dimethoxyphenyl)propanamide",C18H17ClN2O3S,N-(6-Chloro-2-benzothiazolyl)-3,N(6Chloro2benzothiazolyl)3
,4-dimethoxyb,4dimethoxyb,T2052,S7096}

> <pdid>
PD010625

> <targets>
{Wnt/beta-catenin}

> <classes>
{"Stem Cells & Wnt"}

> <pubchem_cids>
{8582409}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 26 29  0  0  0  0            999 V2000
   -2.1571   -9.0669    0.0000 O   0  0
   -3.5959   -8.6430    0.0000 C   0  0
   -4.6824   -9.6772    0.0000 C   0  0
   -6.1213   -9.2533    0.0000 C   0  0
   -6.4737   -7.7953    0.0000 C   0  0
   -5.3872   -6.7611    0.0000 C   0  0
   -3.9482   -7.1849    0.0000 C   0  0
   -2.8628   -6.1485    0.0000 C   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 C   0  0
   -3.2175   -4.6910    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 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
    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
   -2.5981   -1.5000    0.0000 O   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
  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
  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  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  3
 22 23  1  0
 22 24  1  0
 24 14  1  0
 24 17  2  0
 21 25  1  0
 25 26  3  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25303

> <plate>
PLATE 003

> <well>
B6

> <supplier_cmpd_name>
A 769662

> <ctcr_id>
6722

> <supplier_cmpd_id>
T2468

> <smiles>
Oc1ccccc1c2ccc(cc2)c3csc4NC(=O)C(=C(O)c34)C#N

> <pd_targets>
{PRKAA1,PRKAA2,PRKAB1,PRKAB2,PRKAG1,PRKAG2,PRKAG3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase CAMK1 family","CAMK protein kinase AMPK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","CAMK-like (CAMKL) family","AMPK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Phosphorylation"}

> <broad_targets>
{}

> <broad_moa>
{"AMPK activator"}

> <synonyms>
{76966,844499-71-4,844499714,A-769662,A769662,"A 769662",UNII-P68477CD2C,UNIIP68477CD2C,CHEMBL512504,C20H12N2O3S,P68477CD2C,4cff,PubChem16661,cc-24,cc24,MLS006011221,SCHEMBL2669403,SCHEMBL15008545,CHE
BI:91429,GTPL10069,AOB1779,DTXSID30233425,EX-A380,EXA380,BCPP000450,HMS3295O03,HMS3413J08,T2468,S2697}

> <pdid>
PD010881

> <targets>
{AMPK,"AMPK agonist"}

> <classes>
{}

> <pubchem_cids>
{54708532}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 26 29  0  0  0  0            999 V2000
    9.9949    2.8884    0.0000 C   0  0
    9.3803    1.5201    0.0000 C   0  0
    7.8873    1.3671    0.0000 S   0  0
    7.0092    2.5832    0.0000 O   0  0
    8.5012    2.7357    0.0000 O   0  0
    7.2749    0.0036    0.0000 N   0  0
    5.8727   -0.5294    0.0000 C   0  0
    6.4440   -1.8462    0.0000 C   0  0
    7.3224   -3.0632    0.0000 C   0  0
    8.8156   -2.9119    0.0000 C   0  0
   10.3080   -2.7606    0.0000 N   0  0
    7.8079   -1.3985    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  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  3  0
  8 12  1  0
 12  6  1  0
  8 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 13  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
 26 18  1  0
 26 22  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25304

> <plate>
PLATE 003

> <well>
B7

> <supplier_cmpd_name>
Baricitinib

> <ctcr_id>
6687

> <supplier_cmpd_id>
T2485

> <smiles>
CCS(=O)(=O)N1CC(CC#N)(C1)n2cc(cn2)c3ncnc4[nH]ccc34

> <pd_targets>
{JAK2,TYK2,JAK3,AAK1,JAK1,BMP2K,GAK,PTK2B}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","Tyrosine protein kinase JakA family","Other protein kinase NAK family","Tyrosine protein kinase Fak family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Other protein kinases","Non-receptor tyrosine kinases (nRTKs)","NAK family","Numb-associated kinase (NAK) family","Janus kina
se (JakA) family","Fak family"}

> <pathway_reactome>
{"Cell Cycle","Immune System","Vesicle-mediated transport",Mitotic,"Cytokine Signaling in Immune system","Membrane Trafficking","Mitotic G1 phase and G1/S transition","Interferon Signaling","Signaling
 by Interleukins","Clathrin-mediated endocytosis","trans-Golgi Network Vesicle Budding","G1 Phase","Interferon alpha/beta signaling","Interleukin-2 family signaling","Cargo recognition for clathrin-me
diated endocytosis","Antiviral mechanism by IFN-stimulated genes","Golgi Associated Vesicle Biogenesis","Cyclin D associated events in G1","Regulation of IFNA signaling","Interleukin-15 signaling","IS
G15 antiviral mechanism","Interleukin-2 signaling"}

> <broad_targets>
{JAK1,JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{Baricitinib,1187594-09-7,1187594097,INCB028050,olumiant,LY3009104,"INCB 028050",INCB-028050,UNII-ISP4442I3Y,UNIIISP4442I3Y,"Baricitinib (LY3009104, INCB028050)",LY-3009104,ISP4442I3Y,"LY 3009104","11
87594-09-7 (free base)","1187594097 (free base)","LY3009104 (phosphate);INCB02805",T2485,S2851,"Baricitinib (LY3009104)"}

> <pdid>
PD010550

> <targets>
{JAK}

> <classes>
{}

> <pubchem_cids>
{44205240}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 36 39  0  0  0  0            999 V2000
  -14.0594   -9.6208    0.0000 C   0  0
  -12.9718   -8.5878    0.0000 N   0  0
  -13.3230   -7.1295    0.0000 C   0  0
  -11.5323   -9.0126    0.0000 C   0  0
  -10.4441   -7.9791    0.0000 C   0  0
   -9.0046   -8.4038    0.0000 N   0  0
   -8.6534   -9.8621    0.0000 C   0  0
   -7.9164   -7.3703    0.0000 C   0  0
   -8.2701   -5.9126    0.0000 C   0  0
   -7.1846   -4.8774    0.0000 C   0  0
   -5.7452   -5.2998    0.0000 C   0  0
   -5.3916   -6.7576    0.0000 C   0  0
   -6.4771   -7.7928    0.0000 C   0  0
   -6.1201   -9.2506    0.0000 N   0  0
   -4.6795   -9.6712    0.0000 C   0  0
   -3.5958   -8.6341    0.0000 O   0  0
   -4.3225  -11.1290    0.0000 C   0  0
   -2.8827  -11.5494    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
   -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
   -7.5416   -3.4196    0.0000 O   0  0
   -8.9814   -2.9992    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
  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 16  2  0
 15 17  1  0
 17 18  2  0
 11 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  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 26  1  0
 34 29  1  0
 10 35  1  0
 35 36  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25305

> <plate>
PLATE 003

> <well>
B8

> <supplier_cmpd_name>
AZ5104

> <ctcr_id>
11528

> <supplier_cmpd_id>
T2491

> <smiles>
CN(C)CCN(C)c1cc(c(cc1NC(=O)C=C)Nc1nccc(n1)c1c[nH]c2ccccc12)OC

> <pd_targets>
{KCNH2,EGFR,ERBB2,ERBB3,ERBB4}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Voltage-gated ion channel",Kinase,"Potassium channels","Protein Kinase","Voltage-gated potassium channel","TK protein kinase group","Tyrosine protein kinase EGFR family"}

> <pathway_chembl>
{"Ion channels",Receptors,"Voltage-gated ion channels","Catalytic receptors","Potassium channels","Receptor kinases","Voltage-gated potassium channels","TK: Tyrosine kinase","Receptor tyrosine kinases
 (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Muscle contraction","Signal Transduction","Cardiac conduction","Signaling by GPCR","Phase 3 - rapid repolarisation","GPCR downstream signalling","G alpha (q) signalling events","Gastrin-CREB signall
ing pathway via PKC and MAPK","EGFR Transactivation by Gastrin"}

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{AZ5104,1421373-98-9,1421373989,AZ-5104,UNII-2DWZ6SE1E1,UNII2DWZ6SE1E1,2DWZ6SE1E1,CHEMBL3353411,AZD5104,"AZ 5104","Osimertinib metabolite M6",SCHEMBL14663428,EX-A824,EXA824,AMY16678,AOB87166,BCP08428,
HY-B0793,HYB0793,BDBM50029689,MFCD28899992,s7298,AKOS025404698,ZINC147059673,CCG-269587,CCG269587,CS,T2491}

> <pdid>
PD012313

> <targets>
{EGFR,"EGFR (L858R)","EGFR (L858R/T790M)","EGFR (L861Q)","EGFR (wildtype)",HER2/ErbB2}

> <classes>
{Angiogenesis,JAK/STAT signaling,Tyrosine Kinase/Adaptors,JAK/STAT Signaling,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{71496460}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 31 35  0  0  0  0            999 V2000
    7.5955    2.7333    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.1020    3.4627    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    4.2568    0.5878    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 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    4.8111   -4.6641    0.0000 C   0  0
    3.9296   -5.8777    0.0000 S   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
    4.9531   -1.9978    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
    5.7171    0.9385    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
  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
 10 20  1  0
 20  7  2  0
  8 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
  6 31  2  0
 31  2  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25306

> <plate>
PLATE 003

> <well>
B9

> <supplier_cmpd_name>
ALK5 Inhibitor IV

> <ctcr_id>
11904

> <supplier_cmpd_id>
T3031

> <smiles>
Cc1cccc(c2c(cn(C(=S)Nc3ccccc3)n2)c2ccnc3ccccc23)n1

> <pd_targets>
{FFP,RORC}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Transferase,"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>
.

> <broad_moa>
.

> <synonyms>
{909910-43-6,909910436,"A 83-01","A 8301",A-83-01,A8301,A83-01,3-(6-methylpyridin-2-yl)-N-phenyl-4-quinolin-4-ylpyrazole-1-carbothioamide,3(6methylpyridin2yl)Nphenyl4quinolin4ylpyrazole1carbothioamide
,"TGF-beta inhibitor A-83-01","TGFbeta inhibitor A8301",C25H19N5S,"ALK5 Inhibitor IV","TGFss inhibitor A-83-01","TGFss inhibitor A8301",cc-656,cc656,SCHEMBL142081,CHEMBL1170377,AOB,T3031}

> <pdid>
PD012947

> <targets>
{ALK4,ALK5,ALK7}

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

> <pubchem_cids>
{16218924}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 24  0  0  1  0            999 V2000
    2.5988   -1.5004    0.0000 C   0  0  2  0  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
   -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
    3.8990   -0.7508    0.0000 C   0  0
    5.1976   -1.5016    0.0000 C   0  0
    6.4971   -0.7525    0.0000 C   0  0
    6.4980    0.7475    0.0000 C   0  0
    5.1995    1.4984    0.0000 C   0  0
    3.9000    0.7492    0.0000 C   0  0
    7.7982    1.4971    0.0000 C   0  0
    9.1502    0.8774    0.0000 C   0  0
   10.1528    1.9930    0.0000 N   0  0
    9.4016    3.2914    0.0000 N   0  0
    7.9347    2.9781    0.0000 C   0  0
    1.2718   -2.2619    0.0000 C   0  0
    1.2670   -3.7619    0.0000 N   0  0
  1  2  1  6
  1  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
  1 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
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 16  2  0
  1 21  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25307

> <plate>
PLATE 003

> <well>
B10

> <supplier_cmpd_name>
AT13148

> <ctcr_id>
11741

> <supplier_cmpd_id>
T2482

> <smiles>
[C@](O)(c1ccc(cc1)Cl)(c1ccc(cc1)c1cn[nH]c1)CN

> <pd_targets>
{AKT3,AKT1,AKT2,RPS6KA1,RPS6KA2,RPS6KA3,RPS6KA4,RPS6KA5,RPS6KA6,RPS6KB1,RPS6KB2,MAPKAPK2,ROCK1,ROCK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","CAMK protein kinase group","AGC protein kinase AKT family","AGC protein kinase RSK family","CAMK protein kinase MAPKAPK family","AGC protein
 kinase DMPK family","AGC protein kinase MSK subfamily","CAMK protein kinase MAPKAPK subfamily","AGC protein kinase ROCK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","Akt (Protein kinase B","PKB) family","MAPK-Activated Protein Kinase (MAPK
APK) family","MAPKAPK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","Immune System","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Innate Immune System","Generic Transcription Pathwa
y","Signaling by Insulin receptor","Toll-like Receptor Cascades","Transcriptional Regulation by TP53","Insulin receptor signalling cascade","Toll Like Receptor 5 (TLR5) Cascade","Regulation of TP53 Ac
tivity","IRS-mediated signalling","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Expression and Degradation","PI3K Cascade","MAP kinase activation","Regulation of TP53 Degradation","
PKB-mediated events","MAPK targets/ Nuclear events mediated by MAP kinases","PDE3B signalling","CREB phosphorylation"}

> <broad_targets>
{AKT1,AKT2,AKT3,ROCK1,ROCK2,SGK3}

> <broad_moa>
{"protein kinase inhibitor"}

> <synonyms>
{AT13148,1056901-62-2,1056901622,AT-13148,UNII-A49037RP1E,UNIIA49037RP1E,(S)-1-(4-(1H-Pyrazol-4-yl)phenyl)-2-amino-1-(4-chlorophenyl)ethanol,(S)1(4(1HPyrazol4yl)phenyl)2amino1(4chlorophenyl)ethanol,A4
9037RP1E,(1S)-2-amino-1-(4-chlorophenyl)-1-(4-(1H-pyrazol-4-yl)phenyl)ethanol,(1S)2amino1(4chlorophenyl)1(4(1Hpyrazol4yl)phenyl)ethanol,SCHEMBL851471,CHEMBL3544960,BCP08961,EX-A1797,EXA1797,2231AH,T24
82}

> <pdid>
PD021580

> <targets>
{Akt,"S6 Kinase",ROCK,PKA,Akt1,Akt2,Akt3,ROCK1,ROCK2,"p70 S6K",RSK1,SGK3,"Ribosomal S6 Kinase (RSK)"}

> <classes>
{Cytoskeletal Signaling,Cell Cycle/Checkpoint,GPCR/G Protein,Metabolism,PI3K/Akt/mTOR signaling,Stem Cells,Cell Cycle/DNA Damage,Cytoskeleton,MAPK/ERK Pathway,PI3K/Akt/mTOR,Protein Tyrosine Kinase/RTK
,Stem Cell/Wnt,TGF-beta/Smad}

> <pubchem_cids>
{24905401}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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 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 O   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
    1.2954    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
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  2  1  0
  4  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
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25308

> <plate>
PLATE 003

> <well>
B11

> <supplier_cmpd_name>
Pirfenidone

> <ctcr_id>
5044

> <supplier_cmpd_id>
T2386

> <smiles>
CC1=CN(C(=O)C=C1)c2ccccc2

> <pd_targets>
{KDM4E,CYP1A2,HPGD,BLM,ALDH1A1,HSD17B10,SMAD3,TGFB1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Secreted protein",Eraser,"Cytochrome P450",Oxidoreductase,"Lysine demethylase","Cytochrome P450 family 1","Jumonji domain-containing","Cytochrome P450 family 1A","Cytoc
hrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cytochrome P450","Eicosanoid turnover","1.14.11.- Histone demethylases","CYP1 family","Prostaglandin synthases"}

> <pathway_reactome>
{Metabolism,"DNA Repair","Biological oxidations","Metabolism of lipids","DNA Double-Strand Break Repair","Metabolism of amino acids and derivatives","Phase I - Functionalization of compounds","Biosynt
hesis of specialized proresolving mediators (SPMs)","Homology Directed Repair","Branched-chain amino acid catabolism","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs",
"HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Ethanol oxidation",Xenobiotics,"Biosynthesis of D-series resolvins","HDR through Homologous Recombination (HRR)","Aromati
c amines can be N-hydroxylated or N-dealkylated by CYP1A2","Homologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{FURIN,TNF}

> <broad_moa>
{"TGF beta receptor inhibitor"}

> <synonyms>
{Tox21_110225_1,Tox211102251,Tox21-110225-1,"Tox21 110225 1",PIRFENIDONE,53179-13-8,53179138,5-methyl-1-phenylpyridin-2(1H)-one,5methyl1phenylpyridin2(1H)one,Esbriet,AMR-69,AMR69,Deskar,5-Methyl-1-phe
nyl-2-(1H)-pyridone,5Methyl1phenyl2(1H)pyridone,Pirfenidonum,Pirfenidona,Pirespa,"2(1H)-Pyridinone, 5-methyl-1-phenyl-","2(1H)Pyridinone, 5methyl1phenyl","AMR 69",5-methyl-1-phenyl-2(1H)-pyridinone,5m
ethyl1phenyl2(1H)pyridinone,5-Me,5Me,T2386,S2907,Pirfenidone}

> <pdid>
PD000334

> <targets>
{TGF-beta/Smad,CCR}

> <classes>
{TGF-beta/Smad,GPCR/G Protein,Immunology/Inflammation,Stem Cell/Wnt}

> <pubchem_cids>
{40632}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25309

> <plate>
PLATE 003

> <well>
C2

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25310

> <plate>
PLATE 003

> <well>
C3

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 24 27  0  0  0  0            999 V2000
    4.8089   -4.6669    0.0000 O   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 S   0  0
    2.5987   -1.5004    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2566    0.5871    0.0000 O   0  0
    4.9531   -1.9978    0.0000 N   0  0
    6.4437   -1.8466    0.0000 C   0  0
    7.3222   -3.0635    0.0000 C   0  0
    8.8147   -2.9143    0.0000 C   0  0
    9.6903   -4.1323    0.0000 C   0  0
    9.0732   -5.4995    0.0000 C   0  0
    7.5807   -5.6488    0.0000 C   0  0
    6.7052   -4.4308    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    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
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  2  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
  4 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 24  2  0
 24 15  1  0
 24 19  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25311

> <plate>
PLATE 003

> <well>
C4

> <supplier_cmpd_name>
Tideglusib

> <ctcr_id>
2398

> <supplier_cmpd_id>
T3067

> <smiles>
O=C1SN(C(=O)N1Cc2ccccc2)c3cccc4ccccc34

> <pd_targets>
{GSK3B,REP}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase GSK family"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Kinases (EC 2.7.x.x)","Anti-infective targets","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Viral protein targets","Glycogen synthase kinase (GSK) family","Corona
virus (CoV) proteins","GSK subfamily"}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","SARS-CoV-1 Infection","SARS-CoV-2 Infection","SARS-CoV-1 Genome Replication and Transcription","SARS-CoV-2 Genome Replication and Transcription","R
eplication of the SARS-CoV-1 genome","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
{GSK3B}

> <broad_moa>
{"glycogen synthase kinase inhibitor"}

> <synonyms>
{Tideglusib(NP-031112),Tideglusib(NP031112),Tideglusib,865854-05-3,865854053,NP031112,NP-12,NP12,"4-Benzyl-2-(naphthalen-1-yl)-1,2,4-thiadiazolidine-3,5-dione","4Benzyl2(naphthalen1yl)1,2,4thiadiazoli
dine3,5dione",UNII-Q747Y6TT42,UNIIQ747Y6TT42,"NP 031112",NP-031112,Q747Y6TT42,"1,2,4-Thiadiazolidine-3,5-dione, 2-(1-naphthalenyl)-4-(phenylmethyl)-","1,2,4Thiadiazolidine3,5dione, 2(1naphthalenyl)4(p
henylmethyl)",T3067,S2823}

> <pdid>
PD012719

> <targets>
{GSK-3}

> <classes>
{PI3K/Akt/mTOR,Stem Cell/Wnt}

> <pubchem_cids>
{11313622}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25312

> <plate>
PLATE 003

> <well>
C5

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 29 32  0  0  0  0            999 V2000
   -1.3109   -5.2364    0.0000 C   0  0
   -0.0156   -5.9927    0.0000 S   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
    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
   -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 O   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -5.1968    1.5003    0.0000 C   0  0
   -5.1993    3.0004    0.0000 C   0  0
   -3.9015    3.7525    0.0000 Cl  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
   -6.4948    0.7483    0.0000 C   0  0
   -6.4924   -0.7517    0.0000 Cl  0  0
    1.2935   -3.7495    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  3
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 12  1  0
 19 20  2  0
 20  9  1  0
 14 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 21  1  0
 27 28  1  0
  7 29  2  0
 29  3  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25313

> <plate>
PLATE 003

> <well>
C6

> <supplier_cmpd_name>
PD-173955

> <ctcr_id>
526

> <supplier_cmpd_id>
T3063

> <smiles>
CSc1cccc(Nc2ncc3C=C(C(=O)N(C)c3n2)c4c(Cl)cccc4Cl)c1

> <pd_targets>
{FGFR1,PDGFRA,PDGFRB,ABL1,TEC,FLT3,EPHB3,AURKC,ACVR1,ACVR2A,DDR1,TNK1,CSF1R,EGFR,EPHA1,TIE1,NEK1,CDC42BPG,TAOK1,FGFR4,MAP3K4,BRAF,RET,TESK1,TAOK3,STK26,MAP3K19,NEK11,PKMYT1,NEK5,WEE2,FGFR3,STK32A,MARK
3,SMO,TYRO3,STK25,FLT1,MAP3K11,LCK,MARK2,MAP3K9,NIM1K,PTK2B,DDR2,KIT,TNK2,ACVR2B,BLK,BMX,HCK,LYN,PTK6,MAP3K2,LIMK1,EPHB1,JAK2,MAPK14,SRC,YES1,NLK,MAP2K3,RIPK1,STK35,MAP4K1,MAP2K1,MAP2K6,RIPK2,MAP2K4,C
DPK1,STK24,PLK3,EPHA2,TGFBR1,SIK1,RAF1,SYK,CDC42BPB,STK3,SIK2,MAP2K5,MINK1,ABL2,LIMK2,TAOK2,EPHB2,MYLK2,BRSK1,LRRK2,JAK1,BTK,MET,EIF2AK4,MAPK4,MAP3K3,EPHB4,CSK,FER,COQ8A,FGFR2,PIP4K2C,ACVRL1,TEK,STK4,
NEK2,EPHA3,ACVR1B,EPHA5,MYLK3,SBK3,JAK3,ERBB3,FES,TXK,CDC42BPA,MAP4K3,SLK,TNNI3K,MAP2K2,SRMS,BCR,MAPK8,TYK2,MAP4K2,ERBB4,TGFBR2,BRSK2,MST1R,FGR,STK36,STK32B,COQ8B,EPHA6,MAPK11,BMPR1A,EPHB6,GAK,STK10,M
AP3K20,FYN,FLT4,KDR,MAP3K10,MAPK6,EPHA4,MAP4K4,BMPR1B,FRK,EPHA8,WEE1,NTRK3,TNIK,MAP4K5,SIK3,ALK,NPM1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein",Kinase,"Frizzled family G protein-coupled receptor",Transferase,"Protein Kinase","Smoothened receptor (frizzled family GPCR)","TK protein kinase grou
p","Other protein kinase group","TKL protein kinase group","AGC protein kinase group","STE protein kinase group","CAMK protein kinase group","CMGC protein kinase group","Atypical protein kinase group"
,"Tyrosine protein kinase FGFR family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Eph family","Other prot
ein kinase AUR family","TKL protein kinase STKR family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Ack family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Tie fam
ily","Other protein kinase NEK family","AGC protein kinase DMPK family","STE protein kinase STE20 family","STE protein kinase STE11 family","TKL protein kinase RAF family","Tyrosine protein kinase Ret
 family","TKL protein kinase LISK family","Other protein kinase WEE family","AGC protein kinase YANK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Axl family","Tyrosine protein k
inase VEGFR family","TKL protein kinase MLK family","Tyrosine protein kinase Src family","Tyrosine protein kinase Fak family","Tyrosine protein kinase JakA family","CMGC protein kinase MAPK family","S
TE protein kinase STE7 family","TKL protein kinase RIPK family","Other protein kinase NKF4 family","Other protein kinase PLK family","Tyrosine protein kinase Syk family","CAMK protein kinase MLCK fami
ly","TKL protein kinase LRRK family","Tyrosine protein kinase Met family","Other protein kinase PEK family","Tyrosine protein kinase Csk family","Tyrosine protein kinase Fer family","Other protein kin
ase NKF1 family","Atypical protein kinase BCR family","Other protein kinase ULK family","Atypical protein kinase ABC1 family","Other protein kinase NAK family","Tyrosine protein kinase Trk family","TK
L protein kinase STKR1","TKL protein kinase STKR Type 2 subfamily","AGC protein kinase GEK subfamily","STE protein kinase TAO subfamily","TKL protein kinase TESK subfamily","STE protein kinase YSK sub
family","Other protein kinase Nek11","Other protein kinase WEE1","CAMK protein kinase MARK subfamily","TKL protein kinase MLK subfamily","CAMK protein kinase NIM1 subfamily","STE protein kinase MEKK2"
,"TKL protein kinase LIMK subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase nmo subfamily","STE protein kinase KHS subfamily","TKL protein kinase STKR Type 1 subfamily","CAMK protein
 kinase QIK subfamily","STE protein kinase MST subfamily","STE protein kinase MSN subfamily","CAMK protein kinase BRSK subfamily","Other protein kinase GCN2 subfamily","CMGC protein kinase ERK3","STE 
protein kinase SLK subfamily","TKL protein kinase HH498 subfamily","Tyrosine protein kinase Srm","CMGC protein kinase JNK subfamily","Atypical protein kinase ABC1-A subfamily","Tyrosine protein kinase
 SrcA"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11
","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kinases","Class Frizzled GPCRs","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Atypical,"Lipid modifying kinases","TK: Tyrosine kina
se","Other protein kinases","TKL: Tyrosine kinase-like","DMPK family","STE20 family","STE11 family","YANK family","CAMK-like (CAMKL) family","Mitogen-activated protein kinases (MAP kinases)","STE7 fam
ily","Myosin Light Chain Kinase (MLCK) family","ABC1 family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinase
s (nRTKs)","Aurora kinase (Aur) family","Receptor serine/threonine kinase (RSTK) family","NIMA (never in mitosis gene a)- related kinase (NEK) family","GEK subfamily","TAO subfamily","RAF family","LIM
 domain kinase (LISK) family","YSK subfamily","STE20 subfamily","WEE family","MARK subfamily","Mixed Lineage Kinase (MLK) family","NIM1 subfamily","p38 subfamily","nmo subfamily","Receptor interacting
 protein kinase (RIPK) family","NKF4 family","KHS subfamily","Polo-like kinase (PLK) family","QIK subfamily","MST subfamily","MSN subfamily","BRSK subfamily","Leucine-rich repeat kinase (LRRK) family"
,"PEK family","ERK subfamily","ABC1-B subfamily","NKF1 family","SLK subfamily","JNK subfamily","Unc-51-like kinase (ULK) family","Numb-associated kinase (NAK) family","Type V RTKs: FGF (fibroblast gro
wth factor) receptor family","Abl family","Tec family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIII RTKs: Ephrin receptor family","Type I receptor serine/threonine kinases","Type 
II receptor serine/threonine kinases","Type XVI RTKs: DDR (collagen receptor) family","Ack family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XII RTKs: TIE family of angiopoie
tin receptors","Type XIV RTKs: RET","TESK subfamily","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","MLK subfa
mily","Src family","Fak family","LIMK subfamily","Janus kinase (JakA) family","Syk family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","GCN2 subfamily","Csk family","Fer family","HH4
98 subfamily","Type VII RTKs: Neurotrophin receptor/Trk family"}

> <pathway_reactome>
{Disease,"Immune System","Signal Transduction","Developmental Biology","Extracellular matrix organization","Gene expression (Transcription)","Cell Cycle","Cell-Cell communication","Programmed Cell Dea
th","Organelle biogenesis and maintenance",Metabolism,"Circadian Clock","Cellular responses to external stimuli","Neuronal System","Vesicle-mediated transport","Diseases of signal transduction by grow
th factor receptors and second messengers","Infectious disease","Cytokine Signaling in Immune system","Signaling by Receptor Tyrosine Kinases","Nervous system development","Signaling by NODAL","Non-in
tegrin membrane-ECM interactions","RNA Polymerase II Transcription","Signaling by GPCR",Mitotic,"Intracellular signaling by second messengers","Cell junction organization",Apoptosis,"Cilium Assembly",
"Metabolism of lipids","Innate Immune System","Signaling by WNT","MAPK family signaling cascades","Signaling by Hippo","Cellular responses to stress","Signaling by Non-Receptor Tyrosine Kinases","Sign
aling by TGFB family members","Transmission across Chemical Synapses","Membrane Trafficking","Cell Cycle Checkpoints","Signaling by FGFR in disease","Leishmania infection","Signaling by Interleukins",
"Signaling by Insulin receptor","Axon guidance","Regulation of signaling by NODAL","Generic Transcription Pathway","GPCR downstream signalling","M Phase","Signaling by FGFR","PIP3 activates AKT signal
ing","Signaling by NTRKs","Cell-extracellular matrix interactions","Apoptotic execution phase","Mitotic G2-G2/M phases","Oncogenic MAPK signaling","Cargo trafficking to the periciliary membrane","Sign
aling by VEGF","Signaling by PDGFR in disease","HIV Infection","Signaling by KIT in disease","Phospholipid metabolism","Mitotic G1 phase and G1/S transition","Toll-like Receptor Cascades","Beta-cateni
n independent WNT signaling","Signaling by TGF-beta Receptor Complex in Cancer","MAPK1/MAPK3 signaling","Cellular Senescence","Signaling by PTK6","Interferon Signaling","Response of EIF2AK4 (GCN2) to 
amino acid deficiency","MAPK6/MAPK4 signaling","Signaling by SCF-KIT","Signaling by BMP","Regulation of mitotic cell cycle","Fc epsilon receptor (FCERI) signaling","Neurotransmitter receptors and post
synaptic signal transmission","Signaling by MST1","trans-Golgi Network Vesicle Budding","Neutrophil degranulation","G2/M Checkpoints","Signaling by FGFR1 in disease","Parasite infection",Interleukin-3
,"Interleukin-5 and GM-CSF signaling","Insulin receptor signalling cascade","EPH-Ephrin signaling","Transcriptional Regulation by VENTX","G alpha (q) signalling events","Mitotic Metaphase and Anaphase
","Signaling by FGFR4","Negative regulation of the PI3K/AKT network","Signaling by NTRK1 (TRKA)","RET signaling","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","A
poptotic cleavage of cellular proteins","G2/M Transition","Signaling by FGFR3 in disease","Signaling by RAS mutants","BBSome-mediated cargo-targeting to cilium","VEGF ligand-receptor interactions","Dr
ug resistance of PDGFR mutants","Host Interactions of HIV factors","Interleukin-2 family signaling","Drug resistance of KIT mutants","Transcriptional regulation by RUNX1","PI Metabolism","Leishmania p
arasite growth and survival","G1 Phase","Semaphorin interactions","Toll Like Receptor 5 (TLR5) Cascade","Ca2+ pathway","Toll Like Receptor 4 (TLR4) Cascade","Transcriptional Regulation by TP53","Loss 
of Function of SMAD2/3 in Cancer","RAF/MAP kinase cascade","Oxidative Stress Induced Senescence","Signaling by ROBO receptors","PTK6 promotes HIF1A stabilization","Antiviral mechanism by IFN-stimulate
d genes","Interleukin-1 family signaling","Signaling by FGFR2 in disease","APC/C-mediated degradation of cell cycle proteins","FCERI mediated Ca+2 mobilization","PTK6 Down-Regulation","Interferon alph
a/beta signaling","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis","VEGFA-VEGFR2 Pathway","PTEN Regulation","G2/M DNA damage checkpoint","Signaling by NTRK3
 (TRKC)","FGFR1 mutant receptor activation","Leishmania phagocytosis","IRS-mediated signalling","EPHB-mediated forward signaling","Gastrin-CREB signalling pathway via PKC and MAPK","EPHA-mediated grow
th cone collapse","Mitotic Anaphase","Downstream signaling of activated FGFR4",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Signalling to ERKs","Cyclin A/B1/B2 associated events during G2/M trans
ition","Signaling by FGFR3 point mutants in cancer","Signaling downstream of RAS mutants","VEGF binds to VEGFR leading to receptor dimerization","Imatinib-resistant PDGFR mutants","The role of Nef in 
HIV-1 replication and disease pathogenesis","Interleukin-2 signaling","Dasatinib-resistant KIT mutants","RUNX1 regulates transcription of genes involved in BCR signaling","Synthesis of PIPs at the pla
sma membrane","Anti-inflammatory response favouring Leishmania parasite infection","Cyclin D associated events in G1","Sema4D in semaphorin signaling","MyD88 cascade initiated on plasma membrane","MyD
88-independent TLR4 cascade","Regulation of TP53 Activity","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Negative regulation of MAPK pathway","Signalling to ERK5","Role of ABL in ROBO-SLIT signal
ing","ISG15 antiviral mechanism","Interleukin-1 signaling","FGFR2 mutant receptor activation","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Interleukin-15 signaling",
"CRMPs in Sema3A signaling","Regulation of IFNA signaling","Post NMDA receptor activation events","VEGFR2 mediated cell proliferation","Regulation of PTEN stability and activity","Chk1/Chk2(Cds1) medi
ated inactivation of Cyclin B:Cdk1 complex","Activated NTRK3 signals through PI3K","Signaling by activated point mutants of FGFR1","FCGR3A-mediated phagocytosis","PI3K Cascade","EGFR Transactivation b
y Gastrin","Separation of Sister Chromatids","FRS-mediated FGFR4 signaling","Prolonged ERK activation events","FGFR3 mutant receptor activation","Nef-mediates down modulation of cell surface receptors
 by recruiting them to clathrin adapters","Nef and signal transduction","FCGR3A-mediated IL10 synthesis","Sema4D induced cell migration and growth-cone collapse","MAP kinase activation","Signalling to
 RAS","TRIF(TICAM1)-mediated TLR4 signaling","Regulation of TP53 Activity through Acetylation","Regulation of TP53 Activity through Phosphorylation","Negative feedback regulation of MAPK pathway","Sem
a4D mediated inhibition of cell attachment and migration","Activated point mutants of FGFR2","APC/C:Cdc20 mediated degradation of mitotic proteins","Long-term potentiation","ARMS-mediated activation",
"Signaling by activated point mutants of FGFR3","Nef Mediated CD4 Down-regulation","MAPK targets/ Nuclear events mediated by MAP kinases","p38MAPK events","activated TAK1 mediates p38 MAPK activation"
,"IKK complex recruitment mediated by RIP1","Frs2-mediated activation","PI5P Regulates TP53 Acetylation","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","APC:Cdc
20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Activation of the AP-1 family of transcription factors","APC-Cdc20 mediated degradation of Nek2A"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BDBM6568,GTPL5699,DTXSID90332241,SYN1061,BCPP000124,BCP02294,EX-A2125,EXA2125,ZINC2047743,AKOS026750643,BCP9001059,PD173955,260415-63-2,260415632,PD-173955,"Pd 173955",CHEMBL386051,PD-0173955,PD01739
55,CHEBI:49791,C21H16cl2N4OS,PubChem22476,PD-17395,PD17395,SCHEMBL256712,CS-3550,CS3550,DB025,T3063,SY-PD173955,S7269}

> <pdid>
PD007860

> <targets>
{BCR-ABL,c-Src,Bcr-Abl}

> <classes>
{}

> <pubchem_cids>
{447077}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25314

> <plate>
PLATE 003

> <well>
C7

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25315

> <plate>
PLATE 003

> <well>
C8

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25316

> <plate>
PLATE 003

> <well>
C9

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 16 17  0  0  0  0            999 V2000
    5.1937   -3.0093    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 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
    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 N   0  0
    2.5844   -7.5034    0.0000 C   0  0
    2.5895   -6.0034    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  5  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_L8000_Stem cell Differentiation Compound Library

> <id>
25317

> <plate>
PLATE 003

> <well>
C10

> <supplier_cmpd_name>
NSC 14613

> <ctcr_id>
6926

> <supplier_cmpd_id>
T1869

> <smiles>
O=C(NNc1ccccc1)c2ccncc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{SCD}

> <broad_moa>
{"stearoyl-CoA desaturase inhibitor"}

> <synonyms>
{"PluriSln 1",91396-88-2,91396882,N'-phenylisonicotinohydrazide,N'phenylisonicotinohydrazide,"plurisin 1","NSC 14613",N'-phenylpyridine-4-carbohydrazide,N'phenylpyridine4carbohydrazide,"PluriSIn #1 (N
SC 14613)","PluriSln 1(NSC 14613)","4-Pyridinecarboxylicacid, 2-phenylhydrazide","4Pyridinecarboxylicacid, 2phenylhydrazide","PluriSln-1 (NSC 14","PluriSln1 (NSC 14",T1869,S8076}

> <pdid>
PD010460

> <targets>
{Dehydrogenase}

> <classes>
{Metabolism}

> <pubchem_cids>
{225362}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 24  0  0  0  0            999 V2000
    5.1937   -3.0093    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
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    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 C   0  0
    5.1017   -6.1219    0.0000 C   0  0
    4.6332   -7.5468    0.0000 S   0  0
    3.1332   -7.5416    0.0000 C   0  0
    2.2459   -8.7488    0.0000 N   0  0
    0.7541   -8.5846    0.0000 C   0  0
   -0.1361   -9.7919    0.0000 C   0  0
   -1.6268   -9.6248    0.0000 C   0  0
   -2.2274   -8.2502    0.0000 N   0  0
   -1.3373   -7.0429    0.0000 C   0  0
    0.1534   -7.2100    0.0000 N   0  0
    2.6747   -6.1134    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  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  2 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  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 14 22  2  0
 22 11  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25318

> <plate>
PLATE 003

> <well>
C11

> <supplier_cmpd_name>
Thiazovivin

> <ctcr_id>
2660

> <supplier_cmpd_id>
T2155

> <smiles>
O=C(NCc1ccccc1)c2csc(Nc3ccncn3)n2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"rho associated kinase inhibitor"}

> <synonyms>
{Thiazovivin,1226056-71-8,1226056718,N-benzyl-2-(pyrimidin-4-ylamino)thiazole-4-carboxamide,Nbenzyl2(pyrimidin4ylamino)thiazole4carboxamide,"N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide
","Nbenzyl2(pyrimidin4ylamino)1,3thiazole4carboxamide",C15H13N5OS,N-Benzyl-2-(pyrimidin-4-ylamino)-thiazole-4-carboxamide,NBenzyl2(pyrimidin4ylamino)thiazole4carboxamide,N-(PHENYLMETHYL)-2-(4-PYRIMIDI
NYLA,N(PHENYLMETHYL)2(4PYRIMIDINYLA,T2155,S1459}

> <pdid>
PD011183

> <targets>
{ROCK}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{46209426}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 33 36  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
   -0.0031    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 N   0  0
   -2.6109    7.4996    0.0000 C   0  0
   -3.9100    8.2496    0.0000 N   0  0
   -3.9100    9.7496    0.0000 C   0  0
   -2.6110   10.4997    0.0000 C   0  0
   -2.6111   12.0004    0.0000 N   0  0
   -3.8232   12.8622    0.0000 C   0  0
   -3.3575   14.2880    0.0000 C   0  0
   -1.8575   14.2857    0.0000 N   0  0
   -1.3962   12.8584    0.0000 C   0  0
   -1.3119    9.7497    0.0000 C   0  0
   -1.3119    8.2497    0.0000 N   0  0
   -0.0123   10.5001    0.0000 C   0  0
    1.2857    9.7482    0.0000 C   0  0
    2.5859   10.4961    0.0000 C   0  0
    2.5882   11.9961    0.0000 C   0  0
    3.8884   12.7441    0.0000 Cl  0  0
    1.2904   12.7482    0.0000 C   0  0
   -0.0099   12.0002    0.0000 C   0  0
   -0.8751   12.5016    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 N   0  3
    1.2947   -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  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  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 13  1  0
 12 18  1  0
 18 19  2  0
 19  9  1  0
 18 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
  4 28  2  0
 28 29  1  0
 29 30  2  0
 30  2  1  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
M  CHG  2  31   1  32  -1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25319

> <plate>
PLATE 003

> <well>
D2

> <supplier_cmpd_name>
CHIR-98014

> <ctcr_id>
5756

> <supplier_cmpd_id>
T2608

> <smiles>
Nc1nc(NCCNc2ncc(n3ccnc3)c(n2)c4ccc(Cl)cc4Cl)ccc1[N+]([O-])=O

> <pd_targets>
{CDK1,GSK3B,GSK3A}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase CDK family","CMGC protein kinase GSK family","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Cyclin-dependent kinase (CDK) family","Glycogen synthase kinase (GSK) family","CDK1 subfamily","GSK subfamily"}

> <pathway_reactome>
{"Cell Cycle",Disease,Mitotic,"Infectious disease","Regulation of mitotic cell cycle","SARS-CoV Infections","APC/C-mediated degradation of cell cycle proteins","SARS-CoV-1 Infection","Activation of AP
C/C and APC/C:Cdc20 mediated degradation of mitotic proteins","SARS-CoV-1 Genome Replication and Transcription","APC/C:Cdc20 mediated degradation of mitotic proteins","Replication of the SARS-CoV-1 ge
nome","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>
{GSK3A,GSK3B}

> <broad_moa>
{"glycogen synthase kinase inhibitor"}

> <synonyms>
{HIR9801,CHIR-98014,CHIR98014,252935-94-7,252935947,CT-98014,CT98014,CHEMBL3185148,cc-83,cc83,GTPL8016,"Chir98014, 20",SCHEMBL14672557,BDBM92356,AOB6865,DTXSID50694251,CHEBI:167657,BCP01900,EX-A1079,E
XA1079,BDBM50243389,MFCD10565922,s2745,ZINC42856088,AKOS015994559,BCP9000519,CCG-269591,CCG269591,CS-312,CS312,T2608,S2745,"CHIR 98014"}

> <pdid>
PD012780

> <targets>
{GSK-3,GSK3}

> <classes>
{}

> <pubchem_cids>
{53396311}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25320

> <plate>
PLATE 003

> <well>
D3

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 30 33  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
    0.0000    3.0008    0.0000 C   0  0
   -1.3002    3.7488    0.0000 N   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -0.0041    7.5017    0.0000 C   0  0
    1.2955    8.2523    0.0000 C   0  0
    2.5945    7.5021    0.0000 O   0  0
    1.2963    9.7531    0.0000 N   0  0
    2.5959   10.5038    0.0000 C   0  0
    2.5988   12.0038    0.0000 C   0  0
    3.8992   12.7514    0.0000 C   0  0
    5.1969   11.9989    0.0000 C   0  0
    5.1940   10.4989    0.0000 C   0  0
    3.8936    9.7514    0.0000 N   0  0
    6.4979   12.7469    0.0000 C   0  0
    6.5032   14.2469    0.0000 C   0  0
    7.8049   14.9924    0.0000 N   0  0
    9.1013   14.2379    0.0000 C   0  0
    9.0961   12.7380    0.0000 C   0  0
    7.7945   11.9925    0.0000 N   0  0
    1.2954    5.2529    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    2.5981    3.0050    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
  4  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
 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
 19 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  2  0
 29  8  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25321

> <plate>
PLATE 003

> <well>
D4

> <supplier_cmpd_name>
LGK-974

> <ctcr_id>
7896

> <supplier_cmpd_id>
T2618

> <smiles>
Cc1cc(ccn1)c2ncc(CC(=O)Nc3ccc(cn3)c4cnccn4)cc2C

> <pd_targets>
{WNT3A,PORCN}

> <pathway_gtopdb>
{"Secreted protein",Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Membrane bound O-acyltransferases"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by WNT in cancer","Signaling by RNF43 mutants","LGK974 inhibits PORCN"}

> <broad_targets>
{PORCN}

> <broad_moa>
{"porcupine inhibitor"}

> <synonyms>
{ZINC95930187,AKOS025211913,1243244-14-5,1243244145,LGK-974,LGK974,WNT-974,WNT974,"LGK 974",UNII-U27F40013Q,UNIIU27F40013Q,CHEBI:78030,CHEMBL3188386,"LGK974 (WNT974)",U27F40013Q,MLS006011002,SCHEMBL17
23611,GTPL11167,HMS3653G11,BCP08495,EX-A1402,EXA1402,2140AH,BBL102809,BDBM501,T2618,S7143}

> <pdid>
PD010599

> <targets>
{Porcupine}

> <classes>
{Stem Cell/Wnt}

> <pubchem_cids>
{46926973}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 39 43  0  0  0  0            999 V2000
    3.9068   -5.2448    0.0000 C   0  0
    3.9047   -3.7448    0.0000 N   0  0
    5.2029   -2.9917    0.0000 C   0  0
    6.5032   -3.7395    0.0000 O   0  0
    5.2007   -1.4909    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    7.7988   -1.4819    0.0000 F   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
    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
   -2.6005    2.9949    0.0000 C   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -5.3262    3.2720    0.0000 N   0  0
   -6.2121    4.4824    0.0000 C   0  0
   -5.3346    5.6990    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -2.6108    5.9949    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
   -5.7870    1.8463    0.0000 C   0  0
   -4.7811    0.7335    0.0000 O   0  0
   -7.2543    1.5310    0.0000 C   0  0
   -7.7158    0.1029    0.0000 N   0  0
   -9.1823   -0.2122    0.0000 C   0  0
   -6.7100   -1.0099    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  1  0
  2  3  1  0
  3  4  2  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  5  1  0
 11 12  1  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  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 19  2  0
 23 24  1  0
 24 25  2  0
 25 17  1  0
 25 26  1  0
 26 27  1  0
 20 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 15 34  2  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 13  1  0
 39 35  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25322

> <plate>
PLATE 003

> <well>
D5

> <supplier_cmpd_name>
GSK1838705A

> <ctcr_id>
6349

> <supplier_cmpd_id>
T3079

> <smiles>
CNC(=O)c1c(F)cccc1Nc2nc(Nc3cc4N(CCc4cc3OC)C(=O)CN(C)C)nc5[nH]ccc25

> <pd_targets>
{STK33,DYRK1A,PTK2B,MYLK,MAPK8,MAPK10,PHKG2,CAMK4,PRKD1,JAK2,RPS6KA1,CLK1,RPS6KA2,ERBB4,AXL,CSNK1E,INSR,DCLK1,HIPK3,PHKG1,MAP3K19,HIPK1,OXSR1,EGFR,FLT3,PLK1,RIOK2,TAOK1,MAP2K4,CLK2,HIPK2,LRRK2,CLK4,PT
K2,IGF1R,STK16,TSSK1B,ALK,CHEK2,IRAK1,ROS1,GRK7,HIPK4,PRKD3,CSNK2A1,TAOK3,MAP2K3,INSRR,FES,GRK1,MAP3K7,LTK,DYRK1B,DAPK2,TNK1,RPS6KA3,MERTK,TTK,RPS6KA6,GAK,DSTYK,DAPK3,CSNK1D,DAPK1,JAK3,FER,MAPK9}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CMGC protein kinase group","TK protein kinase group","AGC protein kinase group","CK1 protein kinase group","STE protein kinase group","Othe
r protein kinase group","Atypical protein kinase group","TKL protein kinase group","CAMK protein kinase unique family","CMGC protein kinase DYRK family","Tyrosine protein kinase Fak family","CAMK prot
ein kinase MLCK family","CMGC protein kinase MAPK family","CAMK protein kinase PHk family","CAMK protein kinase CAMK1 family","CAMK protein kinase PKD family","Tyrosine protein kinase JakA family","AG
C protein kinase RSK family","CMGC protein kinase CLK family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Axl family","CK1 protein kinase CK1 family","Tyrosine protein kinase InsR f
amily","CAMK protein kinase DCAMK1 family","STE protein kinase STE11 family","STE protein kinase STE20 family","Tyrosine protein kinase PDGFR family","Other protein kinase PLK family","Atypical protei
n kinase RIO family","STE protein kinase STE7 family","TKL protein kinase LRRK family","Other protein kinase NAK family","CAMK protein kinase TSSK family","TKL protein kinase STKR family","CAMK protei
n kinase RAD53 family","TKL protein kinase IRAK family","Tyrosine protein kinase Sev family","AGC protein kinase GRK family","Other protein kinase CK2 family","Tyrosine protein kinase Fer family","TKL
 protein kinase MLK family","Tyrosine protein kinase Alk family","CAMK protein kinase DAPK family","Tyrosine protein kinase Ack family","Other protein kinase TTK family","CMGC protein kinase Dyrk1 sub
family","CMGC protein kinase JNK subfamily","AGC protein kinase RSK subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase FRAY subfamily","Atypical protein kinase RIO2 subfamily","STE pr
otein kinase TAO subfamily","TKL protein kinase STKR Type 1 subfamily","AGC protein kinase GRK subfamily","TKL protein kinase TAK1 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","AGC: Containing
 PKA",PKG,"PKC families","CK1: Casein kinase 1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",Atypical,"CAMK-unique family","Dual-specificity tyrosine-(Y)-phosphorylation regula
ted kinase (DYRK) family","TK: Tyrosine kinase","Myosin Light Chain Kinase (MLCK) family","Mitogen-activated protein kinases (MAP kinases)","Phosphorylase kinase (PHK) family","CAMK1 family","Protein 
kinase D (PKD) family","RSK family","CLK family","Casein kinase 1 (CK1) family","DCAMKL family","STE20 family","Other protein kinases","RIO family","STE7 family","TKL: Tyrosine kinase-like","Testis sp
ecific kinase (TSSK) family","CAMK-like (CAMKL) family","G protein-coupled receptor kinases (GRKs)","Death-associated kinase (DAPK) family","Dyrk1 subfamily","Non-receptor tyrosine kinases (nRTKs)","J
NK subfamily","RSK subfamily","Receptor tyrosine kinases (RTKs)","HIPK subfamily","STE20 subfamily","FRAY subfamily","Polo-like kinase (PLK) family","RIO2 subfamily","TAO subfamily","Leucine-rich repe
at kinase (LRRK) family","NAK family","CHK1 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","Opsin/rhodopsin kinases","Casein kinase 2 (CK2) family","Mixed Lineage Kinase (MLK) fam
ily","TTK family","Numb-associated kinase (NAK) family","Other-unique family","Fak family","Janus kinase (JakA) family","Type I RTKs: ErbB (epidermal growth factor) receptor family","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","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor fam
ily","Type XVII RTKs: ROS receptors","Fer family","TAK1 subfamily","Ack family"}

> <pathway_reactome>
{"Cell Cycle","Immune System","Signal Transduction",Metabolism,Disease,"Neuronal System","Gene expression (Transcription)","Metabolism of RNA","Developmental Biology","Programmed Cell Death",Hemostasi
s,"Vesicle-mediated transport",Mitotic,"Cytokine Signaling in Immune system","Signaling by Rho GTPases","Innate Immune System","Metabolism of carbohydrates","Disorders of Developmental Biology","Metab
olism of lipids","Transmission across Chemical Synapses","Signaling by Receptor Tyrosine Kinases","Intracellular signaling by second messengers","RNA Polymerase II Transcription","Signaling by GPCR","
rRNA processing","Signaling by Non-Receptor Tyrosine Kinases","Infectious disease","Nervous system development",Apoptosis,"Cell surface interactions at the vascular wall","Membrane Trafficking","Mitot
ic G1 phase and G1/S transition","Signaling by Interleukins","RHO GTPase Effectors","Toll-like Receptor Cascades","Glycogen metabolism","Disorders of Nervous System Development","Sphingolipid metaboli
sm","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by VEGF","Mitotic G2-G2/M phases","PIP3 activates AKT signaling","Generic Transcription Pathway","GPCR downstream signa
lling","Signaling by Insulin receptor","rRNA processing in the nucleus and cytosol","M Phase","Signaling by PTK6","Leishmania infection","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF
1R)","Axon guidance","Caspase activation via extrinsic apoptotic signalling pathway","trans-Golgi Network Vesicle Budding","Signaling by SCF-KIT","G0 and Early G1","Interleukin-2 family signaling","RH
O GTPases activate PAKs","Toll Like Receptor 5 (TLR5) Cascade","Glycogen breakdown (glycogenolysis)","Pervasive developmental disorders","Sphingolipid de novo biosynthesis","G1 Phase","Activation of N
MDA receptors and postsynaptic events","VEGFA-VEGFR2 Pathway","G2/M Transition","Negative regulation of the PI3K/AKT network","Transcriptional Regulation by TP53","G alpha (q) signalling events","Insu
lin receptor signalling cascade","Major pathway of rRNA processing in the nucleolus and cytosol","Mitotic Metaphase and Anaphase","PTK6 promotes HIF1A stabilization","Parasite infection","IGF1R signal
ing cascade","G alpha (i) signalling events","Semaphorin interactions","Toll Like Receptor 4 (TLR4) Cascade","Caspase activation via Dependence Receptors in the absence of ligand","Golgi Associated Ve
sicle Biogenesis","Interleukin-2 signaling","MyD88 cascade initiated on plasma membrane","Loss of function of MECP2 in Rett syndrome","Cyclin D associated events in G1","Post NMDA receptor activation 
events","Centrosome maturation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Regulation of TP53 Activity","Gastrin-CREB signalling pathway via PKC and MAPK","IRS-mediated signalling","Mitotic Ana
phase","Leishmania phagocytosis","IRS-related events triggered by IGF1R","Visual phototransduction","CRMPs in Sema3A signaling","MyD88-independent TLR4 cascade","Interleukin-15 signaling","MAP kinase 
activation","Loss of phosphorylation of MECP2 at T308","Long-term potentiation","Loss of proteins required for interphase microtubule organization from the centrosome","Regulation of TP53 Activity thr
ough Phosphorylation","EGFR Transactivation by Gastrin","PI3K Cascade","Separation of Sister Chromatids","FCGR3A-mediated phagocytosis","Regulation of TP53 Expression and Degradation","The phototransd
uction cascade","TRIF(TICAM1)-mediated TLR4 signaling","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","MAPK targets/ Nuclear events mediated by MAP kinases","Loss o
f Nlp from mitotic centrosomes","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Regulation of TP53 Degradation","activated TAK1 mediates p38 MAPK activation",In
activation,"recovery and regulation of the phototransduction cascade","TRAF6-mediated induction of TAK1 complex within TLR4 complex","RSK activation","Activation of the AP-1 family of transcription fa
ctors","CREB phosphorylation"}

> <broad_targets>
{ALK,IGF1R,INSR,RPS6KA1}

> <broad_moa>
{"insulin growth factor receptor inhibitor"}

> <synonyms>
{GSK1838705A,1116235-97-2,1116235972,GSK-1838705A,"GSK 1838705A",GSK1838705,"GSK 1838705",cc-268,cc268,MLS006010967,CHEMBL464552,GTPL5683,SCHEMBL2205605,SCHEMBL12428872,BDBM27817,C27H29FN8O3,CHEBI:937
68,AOB5716,DTXSID50648971,EX-A301,EXA301,HMS3656L15,BCP02847,MFCD194,T3079,S2703}

> <pdid>
PD010878

> <targets>
{IGF-1,ALK,IGF-1R}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{25182616}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25323

> <plate>
PLATE 003

> <well>
D6

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25324

> <plate>
PLATE 003

> <well>
D7

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 24  0  0  0  0            999 V2000
    2.5800    0.0305    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    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
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 N   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 F   0  0
   -0.0872   -4.4491    0.0000 C   0  0
   -0.0520   -2.9495    0.0000 C   0  0
   -1.3331   -2.1692    0.0000 F   0  0
    3.7918   -5.2908    0.0000 C   0  0
    5.1094   -4.5737    0.0000 C   0  0
    6.3892   -5.3560    0.0000 N   0  0
    6.3516   -6.8555    0.0000 C   0  0
    5.0341   -7.5727    0.0000 N   0  0
    3.7543   -6.7904    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  3
  7  2  1  0
  6  8  1  0
  2  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
 11 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_L8000_Stem cell Differentiation Compound Library

> <id>
25325

> <plate>
PLATE 003

> <well>
D8

> <supplier_cmpd_name>
LY2811376

> <ctcr_id>
5894

> <supplier_cmpd_id>
T2639

> <smiles>
CC1(CCSC(=N1)N)c2cc(c(F)cc2F)c3cncnc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{BACE1}

> <broad_moa>
{"beta-secretase inhibitor"}

> <synonyms>
{SCHEMBL1422089,AKOS026750577,FT-0771247,FT0771247,T2639,S1528,LY2811376}

> <pdid>
PD056144

> <targets>
{Gamma-secretase,"Beta Amyloid"}

> <classes>
{Proteases}

> <pubchem_cids>
{44538404}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 27 28  0  0  0  0            999 V2000
    7.5987   -0.7984    0.0000 Cl  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
    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
   -3.9511   -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
   -1.6115   -3.9772    0.0000 C   0  0
   -0.1605   -3.6178    0.0000 C   0  0
    0.8791   -4.6991    0.0000 C   0  0
    0.4626   -6.1401    0.0000 C   0  0
   -0.9936   -6.4998    0.0000 C   0  0
   -2.0333   -5.4186    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 C   0  0
   -5.5231    4.9024    0.0000 F   0  0
   -6.1382    2.3782    0.0000 C   0  0
   -5.7171    0.9385    0.0000 C   0  0
    5.0987   -0.7984    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
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  9  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
 10 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_L8000_Stem cell Differentiation Compound Library

> <id>
25326

> <plate>
PLATE 003

> <well>
D9

> <supplier_cmpd_name>
PF670462

> <ctcr_id>
11588

> <supplier_cmpd_id>
T3073

> <smiles>
Cl.Nc1nccc(n1)c1c(ncn1C1CCCCC1)c1ccc(F)cc1.Cl

> <pd_targets>
{CSNK1D,CSNK1E,EGFR,MAPK14,KCNH2,MAPK11,MAPK12,MAPK13}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","CK1 protein kinase group","TK protein kinase group","CMGC protein kinase group","Voltage-gated potassium
 channel","CK1 protein kinase CK1 family","Tyrosine protein kinase EGFR family","CMGC protein kinase MAPK family","CMGC protein kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Kinases (EC 2.7.x.x)","Catalytic receptors","Voltage-gated ion channels","CK1: Casein kinase 1","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","P
otassium channels","Casein kinase 1 (CK1) family","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Voltage-gated potassium channels","Receptor tyrosine kinases (RTKs)","p38 sub
family","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction","Immune System","Muscle contraction",Mitotic,"Signaling by GPCR","Innate Immune System","Cardiac conduction","Mitotic G2-G2/M phases","GPCR downstream signalling","
Toll-like Receptor Cascades","Phase 3 - rapid repolarisation","G2/M Transition","G alpha (q) signalling events","Toll Like Receptor 5 (TLR5) Cascade","Centrosome maturation","Gastrin-CREB signalling p
athway via PKC and MAPK","MyD88 cascade initiated on plasma membrane","Loss of proteins required for interphase microtubule organization from the centrosome","EGFR Transactivation by Gastrin","MAP kin
ase activation","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{CSNK1D,CSNK1E}

> <broad_moa>
{"casein kinase inhibitor"}

> <synonyms>
{950912-80-8,950912808,PF-670462,PF670462,"PF 670462",UNII-D68ANS5I8B,UNIID68ANS5I8B,D68ANS5I8B,"PF-670462 HCl","PF670462 HCl","950912-80-8 (HCl)","950912808 (HCl)","PF670462 dihydrochloride",cc-367,c
c367,C19H20FN5.2ClH,C19H20FN5.2HCl,SCHEMBL18921552,CHEBI:87236,AOB3526,DTXSID50679609,BCP04305,EX-A2193,EXA2193,3966AH,T3073}

> <pdid>
PD070629

> <targets>
{CK1¦Å,Casein Kinase}

> <classes>
{Metabolism,Stem Cells,Cell Cycle/DNA Damage,Stem Cell/Wnt}

> <pubchem_cids>
{51049607}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 32 35  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    3.0008    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
   -0.0103    7.5017    0.0000 N   0  3
    1.2863    8.2560    0.0000 O   0  5
   -1.3116    8.2478    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 C   0  0
   -3.8617   -2.2496    0.0000 C   0  0
   -5.1782    0.0303    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
    0.0000   -1.5000    0.0000 N   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
    3.8933    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
  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
  8 11  1  0
 11 12  1  0
 11 13  2  0
  4 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
 20 21  1  0
 21 14  1  0
 21 22  2  0
 15 23  1  0
 23  2  1  0
  3 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 32  1  0
 32 27  1  0
M  CHG  2  11   1  12  -1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25327

> <plate>
PLATE 003

> <well>
D10

> <supplier_cmpd_name>
FLI-06

> <ctcr_id>
7870

> <supplier_cmpd_id>
T3075

> <smiles>
CC1=C(C(c2ccc(cc2)[N+]([O-])=O)C3=C(CC(C)(C)CC3=O)N1)C(=O)OC4CCCCC4

> <pd_targets>
{CCNA1,CCNA2,CDK2,APH1A,APH1B,NCSTN,PSEN1,PSEN2,PSENEN,NOTCH1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,Protease,"Protein Kinase","Aspartic protease","CMGC protein kinase group","Aspartic protease AD clan","CMGC protein kinase CDK family","Aspartic protease A22A sub
family","CMGC protein kinase CDC2 subfamily","Aspartic protease A22A regulatory subfamily"}

> <pathway_chembl>
{"Other protein targets","Notch receptors"}

> <pathway_reactome>
{Disease,"Diseases of metabolism","Diseases of glycosylation","Diseases associated with O-glycosylation of proteins","Defective LFNG causes SCDO3"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{FLI-06,FLI06,313967-18-9,313967189,"FLI 06",CHEMBL3604460,C25H30N2O5,Oprea1_143746,Oprea1143746,Oprea1-143746,"Oprea1 143746",Oprea1_499413,Oprea1499413,Oprea1-499413,"Oprea1 499413",SCHEMBL15536952,
AOB2707,EX-A294,EXA294,SYN5099,HMS3653A22,HMS3886B15,BCP09289,2412AH,BDBM50110176,MFCD00330996,s7399,STK368879,AKOS000650664,CCG-269112,CCG269112,MCULE-5112819342,MCULE5112819342,T3075,S7399}

> <pdid>
PD010323

> <targets>
{Gamma-secretase,Notch}

> <classes>
{Stem Cells & Wnt,Neuronal Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{3103157}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25328

> <plate>
PLATE 003

> <well>
D11

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 38 40  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 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
    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 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
   -3.8928   -3.7517    0.0000 O   0  0
   -6.4914   -3.7570    0.0000 N   0  0
   -6.4892   -5.2579    0.0000 C   0  0
   -7.7867   -6.0105    0.0000 C   0  0
   -6.4864   -6.7579    0.0000 C   0  0
   -5.1889   -6.0056    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    1.5003    0.0000 C   0  0
   -5.1993    3.0004    0.0000 C   0  0
   -6.4995    3.7483    0.0000 C   0  0
   -6.5050    5.2492    0.0000 O   0  0
   -7.8063    5.9952    0.0000 C   0  0
   -7.7974    2.9963    0.0000 C   0  0
   -7.7950    1.4963    0.0000 C   0  0
   -9.0920    0.7411    0.0000 O   0  0
   -9.0875   -0.7589    0.0000 C   0  0
   -6.4948    0.7483    0.0000 C   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  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 18  1  0
 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
 17 26  2  0
 26 27  1  0
 27 14  1  0
 27 28  2  0
 28 11  1  0
 16 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
 36 37  1  0
 35 38  2  0
 38 29  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25329

> <plate>
PLATE 003

> <well>
E2

> <supplier_cmpd_name>
PD173074

> <ctcr_id>
5906

> <supplier_cmpd_id>
T2642

> <smiles>
CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)c3cc(OC)cc(OC)c3

> <pd_targets>
{FGFR2,FGFR3,FGFR1,KDR,ATM,GLA,CSK,SRC,PDGFRB,RORC,FGFR4,PDGFRA,FLT1,FLT4}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Kinase,Hydrolase,"Nuclear receptor","Protein Kinase","Nuclear hormone receptor subfamily 1","TK protein kinase group","Atypical protein kinase group","Nuclear hormone re
ceptor subfamily 1 group F","Tyrosine protein kinase FGFR family","Tyrosine protein kinase VEGFR family","Atypical protein kinase PIKK family","Tyrosine protein kinase Csk family","Tyrosine protein ki
nase Src family","Tyrosine protein kinase PDGFR family","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Receptor kinases",Atypical,"1F. Retinoic acid-related orphans","TK: Tyrosine kinase","Phosphatidyl inositol
 3' kinase-related kinases (PIKK) family","Receptor tyrosine kinases (RTKs)","Other PIKK family kinases","Non-receptor tyrosine kinases (nRTKs)","Type V RTKs: FGF (fibroblast growth factor) receptor f
amily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Csk family","Src family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Cell Cycle",Metabolism,"Gene expression (Transcription)","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyros
ine Kinases","Cell Cycle Checkpoints","Metabolism of lipids","Intracellular signaling by second messengers","RNA Polymerase II Transcription","Signaling by FGFR in disease","Signaling by VEGF","G1/S D
NA Damage Checkpoints","Sphingolipid metabolism","Oncogenic MAPK signaling","Signaling by NTRKs","PIP3 activates AKT signaling","Generic Transcription Pathway","Signaling by FGFR2 in disease","Signali
ng by FGFR3 in disease","Signaling by FGFR1 in disease","VEGFA-VEGFR2 Pathway","p53-Dependent G1/S DNA damage checkpoint","Glycosphingolipid metabolism","Signaling by RAS mutants","Signaling by NTRK1 
(TRKA)","Negative regulation of the PI3K/AKT network","Transcriptional regulation by RUNX3","FGFR2 mutant receptor activation","Signaling by FGFR3 point mutants in cancer","FGFR1 mutant receptor activ
ation","VEGFR2 mediated cell proliferation","p53-Dependent G1 DNA Damage Response","Signaling downstream of RAS mutants","Signalling to ERKs",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","RUNX3 Re
gulates Immune Response and Cell Migration","Activated point mutants of FGFR2","FGFR3 mutant receptor activation","Signaling by activated point mutants of FGFR1","Stabilization of p53","Signalling to 
RAS","Signaling by activated point mutants of FGFR3","Autodegradation of the E3 ubiquitin ligase COP1","p38MAPK events"}

> <broad_targets>
{FGFR1,FGFR2,FGFR3,FGFR4,FLT1,FLT4,KDR,PDGFRA,PDGFRB}

> <broad_moa>
{"FGFR inhibitor","VEGFR inhibitor"}

> <synonyms>
{219580-11-7,219580117,PD173074,"PD 173074",PD-173074,UNII-A4TLL8634Y,UNIIA4TLL8634Y,A4TLL8634Y,CHEMBL189584,PD-0173074,PD0173074,CHEBI:63448,C28H41N7O3,MFCD08705327,2fgi,SMR000568412,"FGF/VEGF Recept
or Tyrosine Kinase Inhibitor, PD173074",PubChem22593,cc-523,cc523,MLS001074892,MLS006011,T2642,S1264}

> <pdid>
PD011036

> <targets>
{FGFR,VEGFR,Apoptosis}

> <classes>
{Angiogenesis,Apoptosis,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{1401}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25330

> <plate>
PLATE 003

> <well>
E3

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 31 36  0  0  0  0            999 V2000
   -1.9662    0.3862    0.0000 C   0  0
   -0.9831   -0.9304    0.0000 C   0  0
   -0.1756    0.0000    0.0000 C   0  0
   -0.1756    1.0358    0.0000 C   0  0
   -0.9831    1.7204    0.0000 C   0  0
    0.5442    1.2289    0.0000 C   0  0
    0.5442   -0.4038    0.0000 C   0  0
    2.0715   -0.9304    0.0000 C   0  0
    2.5129   -2.3640    0.0000 O   0  0
    3.0546    0.3862    0.0000 N   0  0
    2.0715    1.7204    0.0000 C   0  0
    2.5322    3.1479    0.0000 O   0  0
    4.5553    0.3815    0.0000 C   0  0
    5.4172    1.6021    0.0000 C   0  0
    6.9109    1.4648    0.0000 C   0  0
    7.5388    0.1025    0.0000 C   0  0
    6.6730   -1.1224    0.0000 C   0  0
    5.1793   -0.9851    0.0000 C   0  0
    9.0331   -0.0380    0.0000 C   0  0
    9.9010    1.1854    0.0000 O   0  0
    9.6594   -1.4019    0.0000 N   0  0
   11.1536   -1.5424    0.0000 C   0  0
   12.0195   -0.3175    0.0000 C   0  0
   13.5132   -0.4549    0.0000 C   0  0
   14.1411   -1.8172    0.0000 C   0  0
   13.2752   -3.0421    0.0000 C   0  0
   11.7816   -2.9047    0.0000 C   0  0
   10.9157   -4.1296    0.0000 N   0  0
   11.5436   -5.4918    0.0000 C   0  0
   13.0373   -5.6292    0.0000 C   0  0
   13.9031   -4.4043    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  1  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11  6  1  0
 11 12  2  0
 10 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
 16 19  1  0
 19 20  2  0
 19 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
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  2  3
 31 26  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25331

> <plate>
PLATE 003

> <well>
E4

> <supplier_cmpd_name>
IWR-1-endo

> <ctcr_id>
476

> <supplier_cmpd_id>
T2651

> <smiles>
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6

> <pd_targets>
{TNKS,PARP2,TNKS2,PARP1,WNT3}

> <pathway_gtopdb>
{Enzyme,Transferase,"Secreted protein"}

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

> <pathway_reactome>
{"Signal Transduction","DNA Repair",Disease,"Intracellular signaling by second messengers","Base Excision Repair","Infectious disease","PIP3 activates AKT signaling","Resolution of Abasic Sites (AP si
tes)","Influenza Infection","PTEN Regulation","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Influenza Viral RNA Transcription and Replication","Regulation of PTEN sta
bility and activity","POLB-Dependent Long Patch Base Excision Repair","vRNA Synthesis","Signaling by GPCR","GPCR ligand binding","Class B/2 (Secretin family receptors)"}

> <broad_targets>
{TNKS}

> <broad_moa>
{"WNT signaling inhibitor negative control"}

> <synonyms>
{IWR-1-endo,IWR1endo,IWR-1,IWR1,1127442-82-3,1127442823,"exo-IWR 1","exoIWR 1","IWR 1-exo","IWR 1exo","endo-IWR 1;IWR-1-endo","endoIWR 1;IWR1endo",IWR1-endo,ChemDiv1_005302,ChemDiv1005302,ChemDiv1-005
302,"ChemDiv1 005302",Oprea1_037138,Oprea1037138,Oprea1-037138,"Oprea1 037138",Oprea1_443063,Oprea1443063,Oprea1-443063,"Oprea1 443063",SCHEMBL12549749,HMS602A22,AKOS026750583,MCULE-3071241001,MCULE30
71241001,AS-56164,AS56164,DA-34780,DA34780,EU-0039994,EU0039994,FT-0670579,FT0670579,FT-0670580,FT0670580,SR-010004,SR010004,T2651,S7086}

> <pdid>
PD012999

> <targets>
{Wnt/beta-catenin}

> <classes>
{"Stem Cells & Wnt"}

> <pubchem_cids>
{3137736}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 31 34  0  0  0  0            999 V2000
    6.4994    0.7568    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   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
    9.0976   -3.7432    0.0000 O   0  0
    7.7985   -1.4932    0.0000 N   0  0
    3.9008   -3.7437    0.0000 C   0  0
    2.6004   -2.9959    0.0000 C   0  0
    1.3026   -3.7480    0.0000 C   0  0
    1.3050   -5.2480    0.0000 C   0  0
    2.6053   -5.9959    0.0000 C   0  0
    3.9031   -5.2438    0.0000 C   0  0
    0.0065   -6.0005    0.0000 C   0  0
   -1.2942   -5.2534    0.0000 F   0  0
    0.0094   -7.5005    0.0000 F   0  0
   -1.2910   -6.7532    0.0000 F   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 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
   -0.3115    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
    0.0000   -3.0000    0.0000 F   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
  6  8  1  0
  8  2  1  0
  4  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
  3 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 24  2  0
 28 29  1  0
 29 30  2  0
 30 22  1  0
 30 31  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25332

> <plate>
PLATE 003

> <well>
E5

> <supplier_cmpd_name>
GSK429286A

> <ctcr_id>
3127

> <supplier_cmpd_id>
T2633

> <smiles>
CC1=C(C(CC(=O)N1)c2ccc(cc2)C(F)(F)F)C(=O)Nc3cc4cn[nH]c4cc3F

> <pd_targets>
{RPS6KA1,ROCK1,RPS6KB1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase RSK family","AGC protein kinase DMPK family","AGC protein kinase RSK subfamily","AGC protein kinase ROCK subfamily","AGC 
protein kinase p70 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","RSK family","DMPK family","RSK subfamily","Rho kinase","p70 subfamily"}

> <pathway_reactome>
{"Immune System","Developmental Biology","Signal Transduction","Innate Immune System","Nervous system development","MTOR signalling","Toll-like Receptor Cascades","Axon guidance","mTORC1-mediated sign
alling","Toll Like Receptor 5 (TLR5) Cascade","Semaphorin interactions","MyD88 cascade initiated on plasma membrane","Sema4D in semaphorin signaling","MAP kinase activation","Sema4D induced cell migra
tion and growth-cone collapse","MAPK targets/ Nuclear events mediated by MAP kinases","CREB phosphorylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AS-16226,AS16226,HY-11000,HY11000,FT-0735355,FT0735355,GSK429286A,864082-47-3,864082473,RHO-15,RHO15,"GSK 429286",C21H16F4N4O2,cc-634,cc634,CHEMBL375312,GTPL9356,SCHEMBL2801740,BDBM14055,CHEBI:91332,
"dihydropyridone indazole amide 15",DTXSID70463946,SYN1071,BCPP000217,HMS3244C07,HMS3244C08,H,T2633,SY-RHO-15,S1474,"RHO-15   (GSK429286A)"}

> <pdid>
PD011177

> <targets>
{ROCK1,ROCK}

> <classes>
{Cell Cycle,Cell Cycle/DNA Damage,Cytoskeleton,Stem Cell/Wnt,TGF-beta/Smad}

> <pubchem_cids>
{11373846}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 33 37  0  0  0  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
    1.2990    0.7500    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
    3.8933   -3.7570    0.0000 C   0  0
    4.0312   -5.2378    0.0000 C   0  0
    5.4984   -5.5497    0.0000 C   0  0
    6.2484   -4.2507    0.0000 C   0  0
    5.2447   -3.1359    0.0000 N   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  2  0
  9  4  1  0
  7 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  2  0
 21 16  1  0
 19 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
 14 28  2  0
 28 10  1  0
  2 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_L8000_Stem cell Differentiation Compound Library

> <id>
25333

> <plate>
PLATE 003

> <well>
E6

> <supplier_cmpd_name>
XL019

> <ctcr_id>
2143

> <supplier_cmpd_id>
T3072

> <smiles>
O=C(Nc1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2)C5CCCN5

> <pd_targets>
{JAK3,JAK2,JAK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase JakA family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Cytokine Signaling in Immune system",Mitotic,"Signaling by Interleukins","Mitotic G1 phase and G1/S transition","Interferon Signaling","Interleukin-2 family signaling","
G1 Phase","Antiviral mechanism by IFN-stimulated genes","Interleukin-15 signaling","Cyclin D associated events in G1","ISG15 antiviral mechanism"}

> <broad_targets>
{JAK1,JAK2,JAK3}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{XL-019,XL019,945750-13-0,945750130,SCHEMBL4379072,CHEMBL3545328,HMS3652B18,HMS3673G21,BCP07987,BCP29586,NSC772887,"XL019;XL 019",AKOS026750648,ACN-029574,ACN029574,NSC-772887,NCGC00389508-02,NCGC0038
950802,AK313372,DA-40240,DA40240,AB0213799,FT-0773898,FT0773898,T3072,S7036}

> <pdid>
PD010645

> <targets>
{JAK}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{57990770}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 27 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
   -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
   -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
   -9.0998    3.7409    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
  -10.3933    1.4885    0.0000 C   0  0
  -11.6898    0.7340    0.0000 N   0  0
  -12.9914    1.4795    0.0000 C   0  0
  -14.2878    0.7249    0.0000 N   0  0
  -12.9966    2.9795    0.0000 N   0  0
  -11.7002    3.7340    0.0000 C   0  0
  -11.7055    5.2340    0.0000 N   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 O   0  0
   -7.8026   -1.5058    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  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
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 14  1  0
 20 21  1  0
 12 22  1  0
 22 23  2  0
 23  9  1  0
 23 24  1  0
 24 25  1  0
  6 26  1  0
 26 27  2  0
 27  3  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25334

> <plate>
PLATE 003

> <well>
E7

> <supplier_cmpd_name>
GW 2580

> <ctcr_id>
2789

> <supplier_cmpd_id>
T2659

> <smiles>
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1

> <pd_targets>
{NTRK3,NTRK1,NTRK2,CSF1R}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase Trk family","Tyrosine protein kinase PDGFR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type VII RTKs: Neurotrophin receptor/Trk family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 rec
eptor family"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Signaling by NTRKs","Generic Transcription Pathway","Signaling by N
TRK3 (TRKC)","Signaling by NTRK1 (TRKA)","Transcriptional Regulation by VENTX","Activated NTRK3 signals through PI3K","Signalling to ERKs","Activation of TRKA receptors","Prolonged ERK activation even
ts","NGF-independant TRKA activation","ARMS-mediated activation"}

> <broad_targets>
{CSF1R}

> <broad_moa>
{"cFMS kinase inhibitor"}

> <synonyms>
{GW2580,870483-87-7,870483877,GW-2580,"cFMS Receptor Tyrosine Kinase Inhibitor","GW 2580",UNII-SRV0JCF9LI,UNIISRV0JCF9LI,GW632580X,"5-(3-Methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine",
"5(3Methoxy4((4methoxybenzyl)oxy)benzyl)pyrimidine2,4diamine",SRV0JCF9LI,5-(3-methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,5(3methoxy4((4methoxybenzyl)oxy)benzyl)pyrimidine2,4-dia,4dia,T2659,"E
MD 344036",344036}

> <pdid>
PD003236

> <targets>
{CSF-1R}

> <classes>
{}

> <pubchem_cids>
{11617559}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 18 20  0  0  0  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
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   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 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
    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  2  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  1  0
 10  6  2  0
 10 11  1  0
 11 12  2  0
 12  4  1  0
  2 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_L8000_Stem cell Differentiation Compound Library

> <id>
25335

> <plate>
PLATE 003

> <well>
E8

> <supplier_cmpd_name>
OAC1

> <ctcr_id>
6340

> <supplier_cmpd_id>
T2040

> <smiles>
O=C(Nc1cc2cc[nH]c2cn1)c3ccccc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"Oct activator"}

> <synonyms>
{OAC1,300586-90-7,300586907,"N-1H-pyrrolo(2,3-c)pyridin-5-ylbenzamide","N1Hpyrrolo(2,3c)pyridin5ylbenzamide",OAC-1,"BAS 00287861","N-(1H-pyrrolo(2,3-c)pyridin-5-yl)benzamide","N(1Hpyrrolo(2,3c)pyridin
5yl)benzamide","BenzaMide, N-1H-pyrrolo(2,3-c)pyridin-5-yl-","BenzaMide, N1Hpyrrolo(2,3c)pyridin5yl",C14H11N3O,"Cambridge id 5236727","Oct4-activating Compound 1","Oct4activating Compound 1",TimTec1_0
06628,TimTec1006628,TimTec1-006628,"TimTec1 006628",T2040,S7217}

> <pdid>
PD010390

> <targets>
{Others,Oct3/4}

> <classes>
{Others,Stem Cell/Wnt}

> <pubchem_cids>
{789882}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 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
    0.0000    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 O   0  0
   -6.4894    3.7590    0.0000 C   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
 14 16  1  0
 16 17  2  0
 17 11  1  0
  9 18  2  0
 18  5  1  0
 18 19  1  0
 19 20  2  0
 20  3  1  0
 20 21  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25336

> <plate>
PLATE 003

> <well>
E9

> <supplier_cmpd_name>
WHI-P131

> <ctcr_id>
6128

> <supplier_cmpd_id>
T2045

> <smiles>
COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC

> <pd_targets>
{RET,LCK,ALK,EGFR,KDR,JAK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","Tyrosine protein kinase Ret family","Tyrosine protein kinase Src family","TKL protein kinase STKR family","Tyrosin
e protein kinase EGFR family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase JakA family","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type XIV RTKs: RET","Src family","Type XIX RTKs: L
eukocyte tyrosine kinase (LTK) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Janus kinase (J
akA) family"}

> <pathway_reactome>
{"Developmental Biology",Disease,"Signal Transduction","Immune System","Nervous system development","Infectious disease","Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","Cytokine Signalin
g in Immune system","Axon guidance","HIV Infection","GPCR downstream signalling","Signaling by VEGF","Signaling by Interleukins","RET signaling","Host Interactions of HIV factors","G alpha (q) signall
ing events","VEGFA-VEGFR2 Pathway","Interleukin-2 family signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Gastrin-CREB signalling pathway via PKC and MAPK","VEGFR2 mediated 
cell proliferation","Interleukin-15 signaling","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","EGFR Transactivation by Gastrin","Nef Mediated CD4 Down
-regulation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"HIP131 (JAK3 INHIBITOR 1",JANEX-1,JANEX1,202475-60-3,202475603,WHI-P131,WHIP131,"jak3 inhibitor i","4-(6,7-dimethoxyquinazolin-4-ylamino)phenol","4(6,7dimethoxyquinazolin4ylamino)phenol","4-((6,7-di
methoxyquinazolin-4-yl)amino)phenol","4((6,7dimethoxyquinazolin4yl)amino)phenol","Janex 1",CHEMBL405130,"4-((6,7-dimethoxy-4-quinazolinyl)amino)-phenol","4((6,7dimethoxy4quinazolinyl)amino)phenol",Phe
nol,4-,4,T2045,SY-WHI-P131,"WHI-P131 (JAK3 Inhibitor 1)"}

> <pdid>
PD012567

> <targets>
{JAK3,JAK}

> <classes>
{Epigenetics,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{3794}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25337

> <plate>
PLATE 003

> <well>
E10

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25338

> <plate>
PLATE 003

> <well>
E11

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25339

> <plate>
PLATE 003

> <well>
F2

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 27 31  0  0  0  0            999 V2000
   13.7589   -0.1520    0.0000 C   0  0
   12.7602    0.9671    0.0000 O   0  0
   11.2906    0.6626    0.0000 C   0  0
   10.2903    1.7803    0.0000 C   0  0
    8.8221    1.4729    0.0000 C   0  0
    8.3542    0.0477    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
    4.9525   -1.9980    0.0000 N   0  0
    6.4202   -1.6882    0.0000 C   0  0
    4.2013   -3.2954    0.0000 N   0  0
    2.7345   -2.9814    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
   -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  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  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  9  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 12  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 26  1  0
 26 27  2  0
 27 18  1  0
 27 22  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25340

> <plate>
PLATE 003

> <well>
F3

> <supplier_cmpd_name>
ML347

> <ctcr_id>
7936

> <supplier_cmpd_id>
T1943

> <smiles>
COc1ccc(cc1)c2cnc3n(c2)ncc3c4cccc5ncccc45

> <pd_targets>
{ACVRL1,KDR,BMPR1B,BMPR1A,ACVR1,BMP4}

> <pathway_gtopdb>
{Enzyme,Kinase,Protease,"Protein Kinase","Metallo protease","TKL protein kinase group","TK protein kinase group","Metallo protease MAM clan","TKL protein kinase STKR family","Tyrosine protein kinase V
EGFR family","Metallo protease M12A subfamily","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase STKR1"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","Receptor serine/threonine kinase (RSTK) family","Receptor tyrosine kinases (RTKs)","Type I recept
or serine/threonine kinases","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Extracellular matrix organization","Signaling by TGFB family members","Signaling by Receptor Tyrosine Kinases","Elastic fibre formation","Signaling by BMP","Signaling by VEGF",
"Molecules associated with elastic fibres","VEGFA-VEGFR2 Pathway","VEGFR2 mediated cell proliferation"}

> <broad_targets>
{ACVR1,ACVRL1,BMPR1A}

> <broad_moa>
{"ALK tyrosine kinase receptor inhibitor"}

> <synonyms>
{ML347,1062368-49-3,1062368493,ML-347,"5-(6-(4-methoxyphenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline","5(6(4methoxyphenyl)pyrazolo(1,5a)pyrimidin3yl)quinoline","LDN 193719","Quinoline, 5-(6-(4-methoxy
phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)-","Quinoline, 5(6(4methoxyphenyl)pyrazolo(1,5a)pyrimidin3yl)",CHEMBL502351,1lWY,MLS004797119,GTPL8121,SCHEMBL11953869,AOB4273,HMS3653O11,HMS3,T1943,S7148}

> <pdid>
PD010595

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{44577753}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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
   -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
    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
    1.2954    5.2529    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    2.5981    3.0050    0.0000 C   0  0
   -2.6035    5.9971    0.0000 C   0  0
   -3.9026    5.2472    0.0000 C   0  0
   -5.2017    5.9972    0.0000 C   0  0
   -5.2017    7.4972    0.0000 C   0  0
   -3.9026    8.2472    0.0000 C   0  0
   -2.6036    7.4972    0.0000 C   0  0
   -6.5014    8.2475    0.0000 N   0  0
   -7.8017    7.4997    0.0000 C   0  0
   -9.0996    8.2517    0.0000 C   0  0
   -9.0972    9.7517    0.0000 N   0  0
   -7.7969   10.4997    0.0000 C   0  0
   -6.4991    9.7476    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
 11 12  1  0
  5 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
 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 20  1  0
 23 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_L8000_Stem cell Differentiation Compound Library

> <id>
25341

> <plate>
PLATE 003

> <well>
F4

> <supplier_cmpd_name>
LDN-214117

> <ctcr_id>
11905

> <supplier_cmpd_id>
T1944

> <smiles>
COc1cc(cc(OC)c1OC)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1

> <pd_targets>
{ACVR1,BMPR1A,TGFBR1,ACVRL1}

> <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",Disease,"Signaling by TGFB family members","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by BMP","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>
.

> <broad_moa>
.

> <synonyms>
{DN21411,LDN-214117,LDN214117,1627503-67-6,1627503676,"1-(4-(6-Methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl)phenyl)piperazine","1(4(6Methyl5(3,4,5trimethoxyphenyl)pyridin3yl)phenyl)piperazine",CHEMBL
3341789,"1-(4-(6-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl)phenyl)piperazine","1(4(6methyl5(3,4,5trimethoxyphenyl)pyridin3yl)phenyl)piperazine",Piperazine,1-(4-(6-methyl-5-(3,1(4(6methyl5(3,4,5-tr
imethoxyp,5trimethoxyp,T1944}

> <pdid>
PD012399

> <targets>
{TGF-beta/Smad,ALK2}

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

> <pubchem_cids>
{91754554}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25342

> <plate>
PLATE 003

> <well>
F5

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 40 40  0  0  0  0            999 V2000
   13.8990    3.0769    0.0000 O   0  0
   11.3990    3.0769    0.0000 Cl  0  0
    8.8990    3.0769    0.0000 Cl  0  0
    6.3990    3.0769    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
    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 N   0  0
   -9.0866    3.7711    0.0000 C   0  0
   -9.0793    5.2719    0.0000 C   0  0
  -10.3731    6.0309    0.0000 C   0  0
  -10.3628    7.5309    0.0000 C   0  0
   -9.0586    8.2719    0.0000 C   0  0
   -7.7647    7.5130    0.0000 C   0  0
   -7.7751    6.0130    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   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
   -1.2991    5.2507    0.0000 N   0  0
    0.0513    5.9204    0.0000 C   0  0
    0.3828    7.3833    0.0000 C   0  0
   -0.5543    8.5546    0.0000 C   0  0
   -2.0543    8.5522    0.0000 N   0  0
   -2.7073    9.9026    0.0000 C   0  0
   -2.9877    7.3779    0.0000 C   0  0
   -2.6516    5.9161    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  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  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 18 26  1  0
 26 27  1  0
 27 15  1  0
 13 28  2  0
 28  9  1  0
 28 29  1  0
 29 30  2  0
 30  7  1  0
 30 31  1  0
 31 32  1  0
 11 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 40 33  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25343

> <plate>
PLATE 003

> <well>
F6

> <supplier_cmpd_name>
BIX 01294 Trihydrochloride

> <ctcr_id>
8246

> <supplier_cmpd_id>
T1959

> <smiles>
O.Cl.Cl.Cl.COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N5CCCN(C)CC5

> <pd_targets>
{EHMT2,EHMT1,MTOR}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Writer,Kinase,"Protein methyltransferase","Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"
}

> <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>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity thr
ough Methylation","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{EHMT1,EHMT2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{BIX01294,"BIX 01294 trihydrochloride hydrate",1808255-64-2,1808255642,"BIX01294 free base","BIX01294 3HCl",EX-A582,EXA582,C28H38N6O2.3ClH.H2O,C28H38N6O2.3HCl.H2O,1328AH,2144AH,AKOS032960432,ACN-05090
4,ACN050904,CCG-208677,CCG208677,J-506427,J506427,T1959,13124,"BIX 01294 Trihydrochloride","BIX01294(hydrochloride hydrate)"}

> <pdid>
PD003481

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{73357457}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 41 45  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
    5.1819    6.0161    0.0000 N   0  0
    5.1746    7.5169    0.0000 C   0  0
    3.8703    8.2580    0.0000 C   0  0
    3.8600    9.7580    0.0000 C   0  0
    5.1538   10.5169    0.0000 C   0  0
    6.4580    9.7759    0.0000 C   0  0
    6.4684    8.2760    0.0000 C   0  0
    7.7733    7.5346    0.0000 S   0  0
    7.7833    6.0346    0.0000 O   0  0
    9.0772    6.7930    0.0000 O   0  0
    9.0683    8.2932    0.0000 C   0  0
   10.3725    7.5523    0.0000 C   0  0
    9.0583    9.7932    0.0000 C   0  0
    2.5847    6.0040    0.0000 N   0  0
    1.2883    5.2495    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 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
   -6.4930   -3.7570    0.0000 N   0  0
   -7.7945   -3.0112    0.0000 C   0  0
   -9.0912   -3.7653    0.0000 C   0  0
   -9.0864   -5.2653    0.0000 N   0  0
  -10.3830   -6.0194    0.0000 C   0  0
   -7.7850   -6.0112    0.0000 C   0  0
   -6.4883   -5.2571    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  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  2  0
 16 18  2  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
  8 22  2  0
 22 23  1  0
 23 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
 32 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 41 35  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25344

> <plate>
PLATE 003

> <well>
F7

> <supplier_cmpd_name>
ASP 3026

> <ctcr_id>
11906

> <supplier_cmpd_id>
T1962

> <smiles>
COc1c(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)ncn2)ccc(c1)N1CCC(CC1)N1CCN(C)CC1

> <pd_targets>
{ALK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","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 XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family"}

> <pathway_reactome>
{}

> <broad_targets>
{ALK}

> <broad_moa>
{"ALK tyrosine kinase receptor inhibitor"}

> <synonyms>
{ASP3026,1097917-15-1,1097917151,ASP-3026,"ASP 3026",UNII-HP4L6MXF10,UNIIHP4L6MXF10,HP4L6MXF10,F6O,cc-325,cc325,MLS006011176,GTPL7740,SCHEMBL2827739,CHEMBL3545360,C29H40N8O3S,AOB6601,DTXSID90149038,EX
-A140,EXA140,QCR-144,QCR144,CHEBI:167650,HMS3673C17,BCP06436,2229AH,MFCD21609265,NSC765865,T1962}

> <pdid>
PD012874

> <targets>
{ALK}

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

> <pubchem_cids>
{25134326}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25345

> <plate>
PLATE 003

> <well>
F8

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 30 34  0  0  0  0            999 V2000
    5.1009    2.6017    0.0000 O   0  0
    5.8532    1.3040    0.0000 C   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 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   -3.0008    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
    0.0102   -7.5017    0.0000 C   0  0
    1.3123   -8.2482    0.0000 N   0  0
    1.3199   -9.7482    0.0000 C   0  0
    2.6227  -10.4916    0.0000 C   0  0
    3.9180   -9.7351    0.0000 S   0  0
    3.8901  -11.2348    0.0000 O   0  0
    5.1951   -8.9483    0.0000 O   0  0
    3.9104   -8.2351    0.0000 C   0  0
    2.6076   -7.4917    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   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
  1  2  2  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  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  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  2  0
 20 23  1  0
 23 24  1  0
 24 17  1  0
 15 25  1  0
 25 26  2  0
 26 12  1  0
  7 27  2  0
 27  4  1  0
  2 28  1  0
 28 29  1  0
 29 30  1  0
 30 28  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25346

> <plate>
PLATE 003

> <well>
F9

> <supplier_cmpd_name>
Filgotinib

> <ctcr_id>
11530

> <supplier_cmpd_id>
T1929

> <smiles>
O=C(Nc1nn2c(cccc2c2ccc(CN3CCS(=O)(=O)CC3)cc2)n1)C1CC1

> <pd_targets>
{JAK1,GSC2,JAK2,TYK2,FLT4,CSF1R,JAK3,FLT3,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Ion channel",Kinase,Transferase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","TK protein kinase group","Voltage-gated potassium channel","Tyrosine 
protein kinase JakA family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family"}

> <pathway_chembl>
{Receptors,"Ion channels","Catalytic receptors","Voltage-gated ion channels","Receptor kinases","Potassium channels","TK: Tyrosine kinase","Voltage-gated potassium channels","Non-receptor tyrosine kin
ases (nRTKs)","Receptor tyrosine kinases (RTKs)","Janus kinase (JakA) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor f
amily"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Signal Transduction","Gene expression (Transcription)","Muscle contraction","Cytokine Signaling in Immune system",Mitotic,"Signaling by Receptor Tyrosine Kinases","RNA P
olymerase II Transcription","Cardiac conduction","Interferon Signaling","Mitotic G1 phase and G1/S transition","Signaling by VEGF","Generic Transcription Pathway","Signaling by Interleukins","Signalin
g by Insulin receptor","Phase 3 - rapid repolarisation","Antiviral mechanism by IFN-stimulated genes","G1 Phase","Interferon alpha/beta signaling","VEGF ligand-receptor interactions","Transcriptional 
Regulation by VENTX","Interleukin-2 family signaling","Insulin receptor signalling cascade","ISG15 antiviral mechanism","Cyclin D associated events in G1","Regulation of IFNA signaling","VEGF binds to
 VEGFR leading to receptor dimerization","Interleukin-15 signaling","IRS-mediated signalling","PI3K Cascade"}

> <broad_targets>
{JAK1,JAK2,JAK3,TYK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{SCHEMBL253559,"Filgotinib pound GLPG0643)","GS-6034 FREE BASE","GS6034 FREE BASE",1206101-20-3,1206101203,Filgotinib,GLPG0634,1206161-97-8,1206161978,GLPG-0634,UNII-3XVL385Q0M,UNII3XVL385Q0M,GPLG0634
,Filgotinib(GLPG0634),3XVL385Q0M,G146034,"Filgotinib (GLPG0634)","Filgotinib (USAN:INN)",Jyseleca,GL,T1929}

> <pdid>
PD010273

> <targets>
{JAK,JAK1,JAK2,JAK3,Tyk2}

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

> <pubchem_cids>
{49831257}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 31 36  0  0  0  0            999 V2000
   14.6983    2.6997    0.0000 C   0  0
   13.2297    2.3946    0.0000 C   0  0
   12.7595    0.9701    0.0000 N   0  0
   13.7582   -0.1492    0.0000 C   0  0
   15.2268    0.1560    0.0000 C   0  0
   15.6969    1.5804    0.0000 N   0  0
   11.2906    0.6626    0.0000 C   0  0
   10.2903    1.7803    0.0000 C   0  0
    8.8221    1.4729    0.0000 C   0  0
    8.3542    0.0477    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
    4.9525   -1.9980    0.0000 N   0  0
    6.4202   -1.6882    0.0000 C   0  0
    4.2013   -3.2954    0.0000 N   0  0
    2.7345   -2.9814    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
   -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  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  3  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  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 16  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 30  1  0
 30 31  2  0
 31 22  1  0
 31 26  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25347

> <plate>
PLATE 003

> <well>
F10

> <supplier_cmpd_name>
LDN-193189

> <ctcr_id>
69

> <supplier_cmpd_id>
T1935

> <smiles>
C1CN(CCN1)c2ccc(cc2)c3cnc4n(c3)ncc4c5ccnc6ccccc56

> <pd_targets>
{KDR,ACVRL1,PRKAB1,TGFBR2,BMPR1A,BMPR2,TGFBR1,ACVR1B,ACVR1,BMPR1B,BMP4}

> <pathway_gtopdb>
{Enzyme,Kinase,Protease,"Protein Kinase","Protein kinase regulatory subunit","Metallo protease","TK protein kinase group","TKL protein kinase group","Metallo protease MAM clan","Tyrosine protein kinas
e VEGFR family","TKL protein kinase STKR family","Metallo protease M12A subfamily","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase STKR Type 2 subfamily","TKL protein kinase STKR1"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","CAMK-like (CA
MKL) family","Receptor tyrosine kinases (RTKs)","Receptor serine/threonine kinase (RSTK) family","AMPK subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type I rece
ptor serine/threonine kinases","Type II receptor serine/threonine kinases"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Disease,"Developmental Biology","Extracellular matrix organization","Signaling by Receptor Tyrosine Kinases","Signaling by TGFB family members"
,"RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by NODAL","Elastic fibre formation","Signaling by VEGF","Signaling by B
MP","Generic Transcription Pathway","Signaling by TGF-beta Receptor Complex in Cancer","Regulation of signaling by NODAL","Molecules associated with elastic fibres","VEGFA-VEGFR2 Pathway","Transcripti
onal Regulation by TP53","Loss of Function of SMAD2/3 in Cancer","VEGFR2 mediated cell proliferation","Regulation of TP53 Activity","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Regulation of TP5
3 Activity through Phosphorylation"}

> <broad_targets>
{ACVR1,BMPR1A}

> <broad_moa>
{"bone morphogenic protein inhibitor"}

> <synonyms>
{1062368-24-4,1062368244,LDN193189,LDN-193189,"4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline","4(6(4(piperazin1yl)phenyl)pyrazolo(1,5a)pyrimidin3yl)quinoline",UNII-W69H5YQU9O,
UNIIW69H5YQU9O,"LDN 193189","1062368-24-4 (free base)","1062368244 (free base)",W69H5YQU9O,CHEMBL513147,4-(6-(4-Piperazin-1-Ylphenyl)pyrazolo(1,4(6(4Piperazin1Ylphenyl)pyrazolo(1,5-A)pyrimidin-3-Y,5A)
pyrimidin3Y,T1935,S2618}

> <pdid>
PD013013

> <targets>
{TGF-beta/Smad}

> <classes>
{}

> <pubchem_cids>
{25195294}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25348

> <plate>
PLATE 003

> <well>
F11

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25349

> <plate>
PLATE 003

> <well>
G2

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 36 41  0  0  0  0            999 V2000
    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
    1.2990    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
   -3.7124    4.0029    0.0000 N   0  0
   -3.1023    5.3733    0.0000 C   0  0
   -3.7126    6.7423    0.0000 C   0  0
   -2.8309    7.9559    0.0000 C   0  0
   -1.3391    7.7991    0.0000 C   0  0
   -0.7290    6.4288    0.0000 C   0  0
   -1.6105    5.2165    0.0000 C   0  0
   -3.4413    9.3269    0.0000 C   0  0
   -4.0514   10.6972    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8791    2.2804    0.0000 C   0  0
   -2.5628    0.0004    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   -3.0008    0.0000 N   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   -7.5016    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 O   0  0
    1.3133   -9.7476    0.0000 C   0  0
    1.3086   -8.2476    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  2  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  8  1  0
 16 11  1  0
 13 17  1  0
 17 18  3  0
  9 19  1  0
 19 20  1  0
 19 21  1  0
 19 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
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
 28 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_L8000_Stem cell Differentiation Compound Library

> <id>
25350

> <plate>
PLATE 003

> <well>
G3

> <supplier_cmpd_name>
Alectinib

> <ctcr_id>
584

> <supplier_cmpd_id>
T1936

> <smiles>
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N5CCC(CC5)N6CCOCC6

> <pd_targets>
{KDR,MET,ROS1,ALK,SRPK1,RET,EML4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","CMGC protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Met family","Tyrosine p
rotein kinase Sev family","TKL protein kinase STKR family","CMGC protein kinase SRPK family","Tyrosine protein kinase Ret family","TKL protein kinase STKR Type 1 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","SRPK family","Receptor tyrosine kinases (RTKs)
","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XVII RTKs: ROS receptors","Type XIX RTKs: Leukocyte tyro
sine kinase (LTK) receptor family","Type XIV RTKs: RET"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology","Signaling by Receptor Tyrosine Kinases","Nervous system development","Signaling by VEGF","Axon guidance","VEGFA-VEGFR2 Pathway","Semaphorin interactions
","RET signaling","VEGFR2 mediated cell proliferation","Sema4D in semaphorin signaling","Sema4D mediated inhibition of cell attachment and migration"}

> <broad_targets>
{ALK,MET}

> <broad_moa>
{"ALK tyrosine kinase receptor inhibitor"}

> <synonyms>
{Alectinib,1256580-46-7,1256580467,CH5424802,Alecensa,"CH 5424802",AF-802,AF802,UNII-LIJ4CT1Z3Y,UNIILIJ4CT1Z3Y,"Alectinib (CH5424802)",RO5424802,"Alectinib free base","AF 802",LIJ4CT1Z3Y,CH-5424802,CH
EMBL1738797,"1256580-46-7 (free base)","1256580467 (free base)",C30H34N4O2,"Alectinib (USAN:INN)",EMH,T1936,764040,S2762}

> <pdid>
PD003223

> <targets>
{ALK}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{49806720}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 24 27  0  0  0  0            999 V2000
    2.5721  -10.4982    0.0000 N   0  0
    3.8746   -9.7541    0.0000 C   0  0
    3.8824   -8.2533    0.0000 C   0  0
    5.1838   -7.5075    0.0000 C   0  0
    5.1886   -6.0075    0.0000 C   0  0
    3.8919   -5.2532    0.0000 N   0  0
    2.5905   -5.9992    0.0000 C   0  0
    2.5858   -7.4992    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    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 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
   -1.2991    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
    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  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  9  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 21  1  0
 21 22  2  0
 22 17  1  0
 22 23  1  0
 23 24  2  0
 24 15  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25351

> <plate>
PLATE 003

> <well>
G4

> <supplier_cmpd_name>
WAY-262611

> <ctcr_id>
11676

> <supplier_cmpd_id>
T1971

> <smiles>
NCC1CCN(CC1)c1nccc(n1)c1cc2ccccc2cc1

> <pd_targets>
{DKK1}

> <pathway_gtopdb>
{"Secreted protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by WNT in cancer","Signaling by LRP5 mutants"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AY26261,WAY-262611,WAY262611,1123231-07-1,1123231071,MAY-262611,MAY262611,(1-(4-(naphthalen-2-yl)pyrimidin-2-yl)piperidin-4-yl)methanamine,(1(4(naphthalen2yl)pyrimidin2yl)piperidin4yl)methanamine,CHE
MBL570667,(1-(4-naphthalen-2-ylpyrimidin-2-yl)piperidin-4-yl)methanamine,(1(4naphthalen2ylpyrimidin2yl)piperidin4yl)methanamine,(1-(4-(2-naphthalenyl)-2-pyrimidinyl)-4-piperidinyl)methanamine,(1(4(2na
phthalenyl)2pyrimidinyl)4piperidinyl)methanamine,C20H,T1971}

> <pdid>
PD013033

> <targets>
{Wnt/¦Â-catenin}

> <classes>
{"Cytoskeletal Signaling","Stem Cells"}

> <pubchem_cids>
{25199517}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 35 38  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
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   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
   -0.0103    7.5017    0.0000 N   0  0
   -1.3123    8.2482    0.0000 C   0  0
   -2.6088    7.4938    0.0000 O   0  0
   -1.3178    9.7490    0.0000 C   0  0
   -0.0199   10.5012    0.0000 C   0  0
   -0.0223   12.0012    0.0000 C   0  0
   -1.3226   12.7491    0.0000 C   0  0
   -2.6204   11.9970    0.0000 C   0  0
   -2.6180   10.4970    0.0000 C   0  0
   -3.9158    9.7449    0.0000 C   0  0
   -3.9213   12.7452    0.0000 C   0  0
   -3.9262   14.2453    0.0000 C   0  0
   -5.2277   14.9911    0.0000 C   0  0
   -6.5243   14.2370    0.0000 C   0  0
   -7.8280   14.9805    0.0000 O   0  0
   -9.1242   14.2241    0.0000 C   0  0
  -10.4272   14.9673    0.0000 F   0  0
   -9.1168   12.7241    0.0000 F   0  0
  -10.4194   13.4675    0.0000 F   0  0
   -6.5195   12.7370    0.0000 C   0  0
   -5.2180   11.9911    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    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
  6  8  1  0
  8  2  1  0
  4  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  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
 20 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 26 32  1  0
 32 33  2  0
 33 23  1  0
 12 34  1  0
 34 35  2  0
 35  9  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25352

> <plate>
PLATE 003

> <well>
G5

> <supplier_cmpd_name>
Sonidegib

> <ctcr_id>
4291

> <supplier_cmpd_id>
T1926

> <smiles>
CC1CN(CC(C)O1)c2ccc(NC(=O)c3cccc(c3C)c4ccc(OC(F)(F)F)cc4)cn2

> <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 antagonist"}

> <synonyms>
{"Sonidegib;LDE225; NVP-LDE 225","Sonidegib;LDE225; NVPLDE 225",SCHEMBL555313,CHEMBL2141738,HMS3655F04,AKOS026750268,NCGC00387854-03,NCGC0038785403,AK198959,FT-0667957,FT0667957,A25438,T1926,S2151,Son
idegib,"LDE225 (NVP-LDE225, Erismodegib)","LDE225 (NVP-LDE225,Erismodegib)"}

> <pdid>
PD003504

> <targets>
{Hedgehog/Smoothened}

> <classes>
{"Stem Cells & Wnt"}

> <pubchem_cids>
{53396339}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25353

> <plate>
PLATE 003

> <well>
G6

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25354

> <plate>
PLATE 003

> <well>
G7

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25355

> <plate>
PLATE 003

> <well>
G8

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 23  0  0  0  0            999 V2000
    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
    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  2  0
  4  6  1  0
  6  7  2  3
  7  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  8  1  0
  6 15  1  0
 15 16  3  0
  2 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_L8000_Stem cell Differentiation Compound Library

> <id>
25356

> <plate>
PLATE 003

> <well>
G9

> <supplier_cmpd_name>
WP1066

> <ctcr_id>
3556

> <supplier_cmpd_id>
T2156

> <smiles>
CC(NC(=O)C(=Cc1cccc(Br)n1)C#N)c2ccccc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{STAT3}

> <broad_moa>
{"STAT inhibitor"}

> <synonyms>
{HMS3656L10,AKOS026750371,AK-99218,AK99218,"AK 99218",DA-41141,DA41141,"DA 41141",FT-0700378,FT0700378,"FT 0700378",S2796,WP1066}

> <pdid>
PD010567

> <targets>
{JAK}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{72752238}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 24  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
   -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
   -5.2044    2.9940    0.0000 C   0  0
   -6.5039    3.7432    0.0000 C   0  0
   -6.5049    5.2432    0.0000 C   0  0
   -5.2063    5.9941    0.0000 C   0  0
   -3.9068    5.2450    0.0000 C   0  0
   -3.9058    3.7450    0.0000 C   0  0
   -6.4982    0.7397    0.0000 C   0  0
   -7.8002    1.4848    0.0000 C   0  0
   -9.0964    0.7299    0.0000 C   0  0
   -9.0908   -0.7700    0.0000 C   0  0
   -7.7889   -1.5152    0.0000 C   0  0
   -6.4927   -0.7603    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  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  2  0
 14  9  1  0
  8 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
  5 21  1  0
 21 22  2  0
 22  2  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25357

> <plate>
PLATE 003

> <well>
G10

> <supplier_cmpd_name>
JIB-04

> <ctcr_id>
7621

> <supplier_cmpd_id>
T1868

> <smiles>
Clc1ccc(N\N=C(c2ccccc2)\c3ccccn3)nc1

> <pd_targets>
{KDM4C,KDM6B,KDM4E,KDM5A}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Signal Transduction","Cellular responses to external stimuli","Chromatin organization","Signaling by Rho GTPases","Cellular responses to stress","Chromatin modifying enzymes","RHO GTPase Effectors",
"Cellular Senescence","HDMs demethylate histones","RHO GTPases activate PKNs","Oxidative Stress Induced Senescence","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes K
LK2 and KLK3"}

> <broad_targets>
{KDM4E}

> <broad_moa>
{"histone lysine demethylase inhibitor"}

> <synonyms>
{JIB-04,JIB04,199596-05-9,199596059,"JIB 04","JIB-04 Z-isomer","JIB04 Zisomer",(E)-5-chloro-2-(2-(phenyl(pyridin-2-yl)methylene)hydrazinyl)pyridine,(E)5chloro2(2(phenyl(pyridin2yl)methylene)hydrazinyl
)pyridine,NSC693627,"JIB-04, NSC 693627","JIB04, NSC 693627",C17H13ClN4,199596-24-2,199596242,CHEMBL1982368,"Jib-04 (nsc 693627) -z","Jib04 (nsc 693627) z",NSC-693627,(Z)-1-(5-chloropyridin-2-yl)-2,(Z
)1(5chloropyridin2yl)2,S7281}

> <pdid>
PD012660

> <targets>
{"Histone demethylases"}

> <classes>
{}

> <pubchem_cids>
{6519698}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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 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 S   0  0
    0.0000   -3.0000    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
    1.2954    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
   -0.0072    7.5017    0.0000 C   0  0
    1.2902    8.2546    0.0000 F   0  0
   -1.3076    8.2492    0.0000 F   0  0
   -0.0103    9.0017    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  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  2  1  0
 11  6  2  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 12  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25358

> <plate>
PLATE 003

> <well>
G11

> <supplier_cmpd_name>
XAV-939

> <ctcr_id>
1039

> <supplier_cmpd_id>
T1878

> <smiles>
Oc1nc(nc2CCSCc12)c3ccc(cc3)C(F)(F)F

> <pd_targets>
{PARP2,TNKS,TNKS2,PARP1,PARP14,PARP3,PARP4,WNT3A,AXIN2}

> <pathway_gtopdb>
{Enzyme,"Secreted protein","Unclassified protein",Transferase}

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

> <pathway_reactome>
{"DNA Repair","Signal Transduction",Disease,"Base Excision Repair","Intracellular signaling by second messengers","Infectious disease","Diseases of signal transduction by growth factor receptors and s
econd messengers","Signaling by WNT","Resolution of Abasic Sites (AP sites)","PIP3 activates AKT signaling","Influenza Infection","SARS-CoV Infections","Signaling by WNT in cancer","TCF dependent sign
aling in response to WNT","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","PTEN Regulation","Influenza Viral RNA Transcription and Replication","SARS-CoV-1 Infection","S
ignaling by RNF43 mutants","Formation of the beta-catenin:TCF transactivating complex","POLB-Dependent Long Patch Base Excision Repair","Regulation of PTEN stability and activity","vRNA Synthesis","Tr
anslation of structural proteins","Binding of TCF/LEF:CTNNB1 to target gene promoters","Maturation of nucleoprotein"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{XAV939,XAV_939,"XAV 939",S1180,XAV-939}

> <pdid>
PD011102

> <targets>
{Wnt/beta-catenin}

> <classes>
{"Stem Cells & Wnt"}

> <pubchem_cids>
{2726824}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25359

> <plate>
PLATE 003

> <well>
H2

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25360

> <plate>
PLATE 003

> <well>
H3

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 32 37  0  0  0  0            999 V2000
    6.4643   -9.7605    0.0000 C   0  0
    6.4719   -8.2606    0.0000 N   0  0
    7.7747   -7.5171    0.0000 C   0  0
    7.7822   -6.0171    0.0000 C   0  0
    6.4870   -5.2605    0.0000 N   0  0
    6.4915   -3.7597    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 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
   -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
   -3.9374   -7.0521    0.0000 N   0  0
   -2.5250   -7.5572    0.0000 C   0  0
   -1.6082   -6.3700    0.0000 C   0  0
   -2.4537   -5.1320    0.0000 C   0  0
   -2.0990   -3.6745    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1842   -6.0040    0.0000 C   0  0
    5.1766   -7.5040    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  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  2  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  2  0
 26 27  1  0
 27 23  1  0
 27 28  2  0
 28 20  1  0
 19 29  1  0
 29 16  1  0
 29 30  2  0
 30 13  1  0
  5 31  1  0
 31 32  1  0
 32  2  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25361

> <plate>
PLATE 003

> <well>
H4

> <supplier_cmpd_name>
URMC-099

> <ctcr_id>
11594

> <supplier_cmpd_id>
T6057

> <smiles>
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1

> <pd_targets>
{MAP3K2,IGF1R,MAPK8,ROCK1,DLK1,MAP3K10,CDK1,SGK1,ROCK2,ABL1,CYP3A4,MAP3K9,MAPK14,NTRK2,FLT3,SYK,LCK,PRKAA1,PRKAA2,PRKAB1,PRKAB2,PRKAG1,PRKAG2,PRKAG3,AURKB,MAP3K11,FLT1,LRRK2,ZAP70,MAPK1,MET,AURKC,CHUK
,AURKA,SRC,INSR,DAPK3,CDK2,IKBKB,NTRK1,KCNH2,SRPK2,CDKL2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Ion channel",Kinase,"Cytochrome P450","Voltage-gated ion channel","Protein Kinase","Cytochrome P450 family 3","Potassium channels","STE protein kinase group","TK protei
n kinase group","CMGC protein kinase group","AGC protein kinase group","TKL protein kinase group","Cytochrome P450 family 3A","CAMK protein kinase group","Other protein kinase group","Voltage-gated po
tassium channel","STE protein kinase STE11 family","Tyrosine protein kinase InsR family","CMGC protein kinase MAPK family","AGC protein kinase DMPK family","TKL protein kinase MLK family","CMGC protei
n kinase CDK family","AGC protein kinase SGK family","Tyrosine protein kinase Abl family","Cytochrome P450 3A4","Tyrosine protein kinase Trk family","Tyrosine protein kinase PDGFR family","Tyrosine pr
otein kinase Syk family","Tyrosine protein kinase Src family","CAMK protein kinase CAMK1 family","Other protein kinase AUR family","Tyrosine protein kinase VEGFR family","TKL protein kinase LRRK famil
y","Tyrosine protein kinase Met family","Other protein kinase IKK family","CAMK protein kinase DAPK family","CMGC protein kinase SRPK family","CMGC protein kinase CDKL family","STE protein kinase MEKK
2","CMGC protein kinase JNK subfamily","AGC protein kinase ROCK subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase p38 subfamily","CAMK protein kin
ase AMPK subfamily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Kinases (EC 2.7.x.x)","Catalytic receptors","Cytochrome P450","Voltage-gated ion channels","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Rece
ptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","CYP3 family","CAMK: Calcium/calmodulin-dependent protein kinases","Potassium channels","STE11 fa
mily","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","DMPK family","TKL: Tyrosine kinase-like","Cyclin-dependent kinase (CDK) family","SGK family","Other protein kinases","Dea
th-associated kinase (DAPK) family","Voltage-gated potassium channels","SRPK family","Cyclin-dependent kinase-like (CDKL) family","Receptor tyrosine kinases (RTKs)","JNK subfamily","Rho kinase","Mixed
 Lineage Kinase (MLK) family","CDK1 subfamily","Non-receptor tyrosine kinases (nRTKs)","p38 subfamily","Aurora kinase (Aur) family","Leucine-rich repeat kinase (LRRK) family","ERK subfamily","IKK fami
ly","Type II RTKs: Insulin receptor family","MLK subfamily","Abl family","Type VII RTKs: Neurotrophin receptor/Trk family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Syk family","Src fami
ly","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Developmental Biology","Cell Cycle","Gene expression (Transcription)",Disease,Metabolism,"Programmed Cell Death","Muscle contraction","Signaling by Receptor Tyr
osine Kinases","Innate Immune System","Nervous system development","Signaling by NOTCH",Mitotic,"RNA Polymerase II Transcription","Infectious disease","Metabolism of lipids","Diseases of signal transd
uction by growth factor receptors and second messengers","Signaling by Non-Receptor Tyrosine Kinases","Adaptive Immune System","Intracellular signaling by second messengers",Apoptosis,"Cardiac conduct
ion","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Toll-like Receptor Cascades","Axon guidance","Signaling by NOTCH1","Regulation of mitotic cell cycle","Generic Transcription P
athway","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by NTRKs","Signaling by Insulin receptor","HIV Infection","M Phase","Oncogenic MAPK signaling","Si
gnaling by VEGF","Signaling by PTK6","TCR signaling","PIP3 activates AKT signaling","Caspase activation via extrinsic apoptotic signalling pathway","Phase 3 - rapid repolarisation","IGF1R signaling ca
scade","Toll Like Receptor 5 (TLR5) Cascade","Semaphorin interactions","Activated NOTCH1 Transmits Signal to the Nucleus","APC/C-mediated degradation of cell cycle proteins","Transcriptional Regulatio
n by TP53","Parasite infection","Biosynthesis of DHA-derived SPMs","Signaling by NTRK1 (TRKA)","Insulin receptor signalling cascade","Leishmania parasite growth and survival","Host Interactions of HIV
 factors","Mitotic Metaphase and Anaphase","Signaling by RAS mutants","VEGF ligand-receptor interactions","PTK6 promotes HIF1A stabilization","Generation of second messenger molecules","Toll Like Rece
ptor 4 (TLR4) Cascade","Negative regulation of the PI3K/AKT network","Caspase activation via Dependence Receptors in the absence of ligand","IRS-related events triggered by IGF1R","MyD88 cascade initi
ated on plasma membrane","Sema4D in semaphorin signaling","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity","Leishmania phagocytosis","Biosyn
thesis of maresins","Activation of TRKA receptors","IRS-mediated signalling","Anti-inflammatory response favouring Leishmania parasite infection","The role of Nef in HIV-1 replication and disease path
ogenesis","Mitotic Anaphase","Signaling downstream of RAS mutants","VEGF binds to VEGFR leading to receptor dimerization","MyD88-independent TLR4 cascade","Signalling to ERKs",PI5P,"PP2A and IER3 Regu
late PI3K/AKT Signaling","MAP kinase activation","Sema4D induced cell migration and growth-cone collapse","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Expression and Degr
adation","FCGR3A-mediated phagocytosis","Biosynthesis of maresin-like SPMs","NGF-independant TRKA activation","PI3K Cascade","FCGR3A-mediated IL10 synthesis","Nef-mediates down modulation of cell surf
ace receptors by recruiting them to clathrin adapters","Separation of Sister Chromatids","Sema4D mediated inhibition of cell attachment and migration","TRIF(TICAM1)-mediated TLR4 signaling","Regulatio
n of TP53 Activity through Phosphorylation","Signalling to RAS","Prolonged ERK activation events","MAPK targets/ Nuclear events mediated by MAP kinases","APC:Cdc20 mediated degradation of cell cycle p
roteins prior to satisfation of the cell cycle checkpoint","Regulation of TP53 Degradation","Nef Mediated CD4 Down-regulation","IKK complex recruitment mediated by RIP1","p38MAPK events","ARMS-mediate
d activation","Activation of the AP-1 family of transcription factors","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CDKL2,DAPK3,FLT3,LRRK2,MAP3K10,MAP3K11,MAP3K2,MAP3K9,SRPK2}

> <broad_moa>
{"mixed lineage kinase inhibitor"}

> <synonyms>
{RMC09,HMS3674I17,BCP11155,URMC-099,URMC099,1229582-33-5,1229582335,CHEMBL2436978,C27H27N5,"compound 1 (PMID 24044867)",SCHEMBL722076,GTPL8106,"URMC 099;URMC099",SYN1211,EX-A1276,EXA1276,BDBM50441567,
MFCD28168077,s7343,ZINC68243575,CCG-268902,CCG268902,NCGC00386408-03,NCGC0038640803,AC-33141,AC33141,AS-16339,AS16339,DA-,DA,T6057}

> <pdid>
PD003213

> <targets>
{LRRK2,"Aurora A","Aurora B","Aurora C",Abl1,CDK1,CDK2,c-Met,DLK,IGF-1R,"Insulin Receptor",MEKK2,MLK1,MLK2,MLK3,ROCK1,ROCK2,SGK,SGK1,Lck,Syk,TrkA,TrkB,VEGFR1/FLT1,Autophagy,"Mixed Lineage Kinase"}

> <classes>
{Cell Cycle/Checkpoint,Angiogenesis,Autophagy,DNA Damage/DNA Repair,MAPK,Metabolism,Tyrosine Kinase/AdaptorsChromatin/EpigeneticCytoskeletal SignalingStem Cells,MAPK/ERK Pathway}

> <pubchem_cids>
{54764565}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25362

> <plate>
PLATE 003

> <well>
H5

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 38 41  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
    6.8071   -7.2647    0.0000 C   0  0
    8.2897   -7.0313    0.0000 C   0  0
    9.2338   -8.1979    0.0000 C   0  0
   10.7164   -7.9645    0.0000 S   0  0
   11.6605   -9.1312    0.0000 C   0  0
   11.1221  -10.5312    0.0000 N   0  0
   13.1423   -8.8979    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
   16.9431   -3.0160    0.0000 C   0  0
   16.9431   -4.5160    0.0000 S   0  0
   16.9431   -6.0160    0.0000 O   0  0
   15.6438   -5.2655    0.0000 O   0  0
   18.2424   -5.2655    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  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
 25 27  2  0
 20 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 18  1  0
 33 28  1  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 35 38  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25363

> <plate>
PLATE 003

> <well>
H6

> <supplier_cmpd_name>
Ro 31-8220 Mesylate

> <ctcr_id>
2798

> <supplier_cmpd_id>
T6643

> <smiles>
Cn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4cn(CCCSC(N)=N)c5ccccc45.C[S](O)(=O)=O

> <pd_targets>
{PRKCA,HST2,HIPK1,TP53,SIRT1,SIRT2,RPS6KB1,PIM1,PRKCB,TBK1,RPS6KA3,GSK3B,MAPT,FTL,RPS6KA2,KMT2A,MEN1,PRKCD,PRKCE,PRKCG,PRKCH,PRKCI,PRKCQ,PRKCZ,PRKD1,PRKD3,MDH,SIRT3,RORC,ALD,PRKACA,CTRB1,FFP,MAP4K1,VR
K2,MAP3K8,VRK1,MAPK1,RECQL,HSD17B10,CYP3A4,TSHR,ALOX15,LEF,RPS6KA5}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Other cytosolic protein","Unclassified protein","Membrane receptor",Kinase,Eraser,Reader,Oxidoreductase,"Nuclear receptor",Transferase,Protease,"
Cytochrome P450","Family A G protein-coupled receptor","Protein Kinase","Histone deacetylase",Bromodomain,"Nuclear hormone receptor subfamily 1","Serine protease","Cysteine protease","Cytochrome P450 
family 3","Peptide receptor (family A GPCR)","Metallo protease","AGC protein kinase group","CMGC protein kinase group","HDAC class III","CAMK protein kinase group","Other protein kinase group","Nuclea
r hormone receptor subfamily 1 group F","STE protein kinase group","CK1 protein kinase group","Serine protease PA clan","Cysteine protease CA clan","Cytochrome P450 family 3A","Glycohormone receptor",
"Metallo protease MAE clan","AGC protein kinase PKC family","CMGC protein kinase DYRK family","AGC protein kinase RSK family","CAMK protein kinase PIM family","Other protein kinase IKK family","CMGC p
rotein kinase GSK family","Nuclear hormone receptor subfamily 1 group F member 3","AGC protein kinase PKA family","STE protein kinase STE20 family","STE protein kinase STE11 family","CK1 protein kinas
e VRK family","Serine protease S1A subfamily","CMGC protein kinase MAPK family","Cysteine protease C1A family","Cytochrome P450 3A4","Metallo protease M34 family","AGC protein kinase PKC alpha subfami
ly","CMGC protein kinase HIPK subfamily","AGC protein kinase p70 subfamily","AGC protein kinase RSK subfamily","STE protein kinase KHS subfamily","CMGC protein kinase ERK1","AGC protein kinase MSK sub
family"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Catalytic receptors","Nuclear hormone receptors","Cytochrome P450","G protein-coupled receptors","Eicosanoid turnover","AGC: Co
ntaining PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","3.5.1.- Histone deacetylases (HDACs)","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor kinases","1F. Ret
inoic acid-related orphans","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CK1: Casein kinase 1","CYP3 family","Glycoprotein hormone receptors",Lipoxygenases,"Protein kinase C (
PKC) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","RSK family","PIM family","Other protein kinases","Glycogen synthase kinase (GSK) family","Protein kinase A 
(PKA) family","STE20 family","Vaccina related kinase (VRK) family","STE-unique family","Mitogen-activated protein kinases (MAP kinases)","Delta subfamily","HIPK subfamily","p70 subfamily","Alpha subfa
mily","IKK family","RSK subfamily","GSK subfamily","KHS subfamily","ERK subfamily","MSK subfamily"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Cell Cycle",Disease,"Immune System","Neuronal System","Vesicle-mediated transport",Metabolism,"Signaling by GPCR","RNA Polymerase II Transcrip
tion","Cell Cycle Checkpoints",Mitotic,"MTOR signalling","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","Infectious disease","Transmission ac
ross Chemical Synapses","Membrane Trafficking","Cytokine Signaling in Immune system","Metabolism of vitamins and cofactors","Metabolism of amino acids and derivatives","Metabolism of lipids","GPCR dow
nstream signalling","Generic Transcription Pathway","G1/S DNA Damage Checkpoints","M Phase","mTORC1-mediated signalling","FLT3 signaling in disease","Toll-like Receptor Cascades","SARS-CoV Infections"
,"Neurotransmitter receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Budding","Mitotic G2-G2/M phases","Signaling by Interleukins","Metabolism of water-soluble vitamins and 
cofactors","Branched-chain amino acid catabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","Uptake and actions of bacterial toxins","G alpha (i) signalling ev
ents","Transcriptional Regulation by TP53","p53-Dependent G1/S DNA damage checkpoint","FOXO-mediated transcription","Mitotic Metaphase and Anaphase","Signaling by FLT3 ITD and TKD mutants","Mitotic Pr
ophase","Toll Like Receptor 4 (TLR4) Cascade","Toll Like Receptor 5 (TLR5) Cascade","SARS-CoV-1 Infection","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis",
"Transcriptional regulation by RUNX3","G2/M Transition","Interleukin-1 family signaling","Cobalamin (Cbl","vitamin B12) transport and metabolism","Biosynthesis of DHA-derived SPMs","Leishmania parasit
e growth and survival","Biosynthesis of DPA-derived SPMs","Uptake and function of anthrax toxins","Visual phototransduction","Regulation of TP53 Activity","p53-Dependent G1 DNA Damage Response","Regul
ation of FOXO transcriptional activity by acetylation","Mitotic Anaphase","STAT5 activation downstream of FLT3 ITD mutants","Nuclear Envelope Breakdown","MyD88-independent TLR4 cascade","MyD88 cascade
 initiated on plasma membrane","SARS-CoV-1 Genome Replication and Transcription","Post NMDA receptor activation events","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes"
,"RUNX3 Regulates Immune Response and Cell Migration","Centrosome maturation","Interleukin-1 signaling","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection",
"Biosynthesis of DPAn-3 SPMs","The phototransduction cascade","Regulation of TP53 Activity through Phosphorylation","Stabilization of p53","Nuclear Envelope (NE) Reassembly","Depolymerisation of the N
uclear Lamina","TRIF(TICAM1)-mediated TLR4 signaling","MAP kinase activation","Replication of the SARS-CoV-1 genome","Activation of AMPK downstream of NMDARs","Loss of proteins required for interphase
 microtubule organization from the centrosome","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis 
of DPAn-3-derived protectins and resolvins",Inactivation,"recovery and regulation of the phototransduction cascade","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (N
E) Reformation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","MAPK targets/ Nuclear events mediated by MAP kinases","Loss of Nlp from mitotic centrosomes","CREB phosphorylation","ERK/MAPK ta
rgets","ERKs are inactivated"}

> <broad_targets>
{AKT1,GSK3B,LCK,MAPK1,MAPK11,MAPK12,MAPK14,MAPK8,PRKCA,ROCK1,RPS6KB1,SIRT1}

> <broad_moa>
{"PKC inhibitor"}

> <synonyms>
{"Ro 31-8220 mesylate","Ro 318220 mesylate",138489-18-6,138489186,"Bisindolylmaleimide IX mesylate","Ro 31-8220 (mesylate)","Ro 318220 (mesylate)","RO31-8220 mesylate","RO318220 mesylate","Bisindolylm
aleimide IX, Methanesulfonate",CHEMBL1591531,"InSolution&trade; Ro-31-8220","InSolution&trade; Ro318220",BMK1-D9,BMK1D9,"RO31-8220 methanesulfonate","RO318220 methanesulfonate",Ro?31-8220,Ro?318220,T6
643,"EMD 557520",2002,EI-283,"Ro 31-8220 Mesylate",557520}

> <pdid>
PD038906

> <targets>
{"Broad Spectrum Inhibitor",Ro-31-8220,PKC}

> <classes>
{}

> <pubchem_cids>
{11628205}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 30 33  0  0  1  0            999 V2000
   -1.2990   -2.2500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981    0.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
    0.0000    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   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 N   0  0
    3.1130   -0.0905    0.0000 C   0  0
    3.9000   -2.2500    0.0000 C   0  0
    5.2000   -1.5000    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 C   0  0
    2.6000    3.0000    0.0000 C   0  0
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0  2  0  0  0
    2.5989   -0.0002    0.0000 C   0  0
    1.3015    2.2494    0.0000 C   0  0
    1.3019    0.7494    0.0000 N   0  0
    2.6012   -0.0002    0.0000 C   0  0
    0.0022    2.9989    0.0000 N   0  0
    6.6257    0.4635    0.0000 C   0  0
    7.5074   -0.7500    0.0000 N   0  0
    6.6257   -1.9635    0.0000 N   0  0
    9.0074   -0.7500    0.0000 C   0  0
    7.0884    1.8885    0.0000 C   0  0
    7.5517    3.3152    0.0000 N   0  0
   -3.8971    0.7500    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
  7  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  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18  5  1  0
 18 19  1  6
 16 20  2  0
 20 21  1  0
 21 22  2  0
 22 14  1  0
 20 23  1  0
 13 24  2  0
 24 25  1  0
 25 26  1  0
 26 12  2  0
 25 27  1  0
 24 28  1  0
 28 29  3  0
  3 30  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25364

> <plate>
PLATE 003

> <well>
H7

> <supplier_cmpd_name>
Lorlatinib

> <ctcr_id>
11907

> <supplier_cmpd_id>
T3061

> <smiles>
c1cc(cc2c1C(=O)N(C)Cc1c(c3cc(O[C@@H]2C)c(nc3)N)c(n(n1)C)C#N)F

> <pd_targets>
{LTK,FES,ALK,PTK2B,FRK,NTRK2,TNK2,NTRK1,NTRK3,FER,ROS1,PTK2,EML4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","Tyrosine protein kinase Alk family","Tyrosine protein kinase Fer family","TKL protein kinase STKR family","Tyrosin
e protein kinase Fak family","Tyrosine protein kinase Src family","Tyrosine protein kinase Trk family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Sev family","TKL protein kinase STK
R Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) rec
eptor family","Fer family","Fak family","Src family","Type VII RTKs: Neurotrophin receptor/Trk family","Ack family","Type XVII RTKs: ROS receptors"}

> <pathway_reactome>
{"Developmental Biology","Immune System","Signal Transduction",Disease,"Nervous system development","Cytokine Signaling in Immune system","Intracellular signaling by second messengers","Signaling by R
eceptor Tyrosine Kinases","Infectious disease","Axon guidance","Signaling by Interleukins","PIP3 activates AKT signaling","Signaling by NTRKs","Signaling by SCF-KIT","Leishmania infection","Semaphorin
 interactions","Interleukin-2 family signaling","PTEN Regulation","Signaling by NTRK1 (TRKA)","Signaling by NTRK3 (TRKC)","Parasite infection","CRMPs in Sema3A signaling","Interleukin-2 signaling","Re
gulation of PTEN stability and activity","Activation of TRKA receptors","Signalling to ERKs","Activated NTRK3 signals through PI3K","Leishmania phagocytosis","NGF-independant TRKA activation","Prolong
ed ERK activation events","FCGR3A-mediated phagocytosis","ARMS-mediated activation"}

> <broad_targets>
{ALK,FES,ROS1}

> <broad_moa>
{"ALK tyrosine kinase receptor inhibitor"}

> <synonyms>
{2641AH,Lorlatinib,1454846-35-5,1454846355,PF-06463922,PF06463922,Loratinib,Lorbrena,UNII-OSP71S83EU,UNIIOSP71S83EU,"PF 06463922",OSP71S83EU,CHEMBL3286830,C21H19FN6O2,"Lorlatinib (PF-06463922)","Lorla
tinib (PF06463922)","1454846-35-5 (free base)","1454846355 (free base)",MFCD28144520,lorlatinibum,Lorviqua,PF-,PF,T3061}

> <pdid>
PD013003

> <targets>
{ALK,"ALK (L1196M)",ROS1,"LTK (TYK1)",Apoptosis,ROS}

> <classes>
{Angiogenesis,Immunology/Inflammation,Tyrosine Kinase/Adaptors,Tyrosine Kinase/Adaptors,Apoptosis,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{71731823}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25365

> <plate>
PLATE 003

> <well>
H8

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25366

> <plate>
PLATE 003

> <well>
H9

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 36 37  0  0  1  0            999 V2000
    8.8990   -3.2240    0.0000 Cl  0  0
    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 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 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -3.8813   -1.4408    0.0000 C   0  0  1  0  0  0
   -5.0460   -2.3579    0.0000 C   0  0  1  0  0  0
   -6.2823   -1.5085    0.0000 C   0  0  1  0  0  0
   -5.8565   -0.0702    0.0000 C   0  0  2  0  0  0
   -4.3570   -0.0307    0.0000 O   0  0
   -6.7712    1.1165    0.0000 C   0  0
   -8.2580    0.9183    0.0000 O   0  0
   -7.6935   -2.0117    0.0000 N   0  0
   -7.9647   -3.4878    0.0000 C   0  0
   -6.8223   -4.4598    0.0000 O   0  0
   -9.3784   -3.9919    0.0000 C   0  0  2  0  0  0
   -9.6495   -5.4680    0.0000 C   0  0
  -11.0632   -5.9721    0.0000 C   0  0
  -11.3364   -7.4471    0.0000 C   0  0
  -12.7503   -7.9480    0.0000 C   0  0
  -13.8910   -6.9740    0.0000 C   0  0
  -13.6179   -5.4991    0.0000 C   0  0
  -12.2040   -4.9982    0.0000 C   0  0
  -15.3067   -7.4723    0.0000 O   0  0
  -16.4461   -6.4967    0.0000 C   0  0
  -10.5208   -3.0199    0.0000 N   0  0
   -4.9973   -3.8571    0.0000 O   0  0
    6.3990   -3.2240    0.0000 Cl  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  2  0
 10  5  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  9  1  0
 14 13  1  1
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  1  0
 17 19  1  1
 19 20  1  0
 16 21  1  6
 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
 30 31  2  0
 31 26  1  0
 29 32  1  0
 32 33  1  0
 24 34  1  6
 15 35  1  6
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25367

> <plate>
PLATE 003

> <well>
H10

> <supplier_cmpd_name>
Puromycin dihydrochloride

> <ctcr_id>
11210

> <supplier_cmpd_id>
T2219

> <smiles>
Cl.CN(C)c1ncnc2c1ncn2[C@H]1[C@@H]([C@@H]([C@H](O1)CO)NC(=O)[C@H](Cc1ccc(cc1)OC)N)O.Cl

> <pd_targets>
{NPEPPS,ANPEP,RORC,TP53,HTT,CYP3A4}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein",Protease,"Nuclear receptor","Cytochrome P450","Metallo protease","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Metallo protea
se MAE clan","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Metallo protease M1 family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Peptidases and proteinases","Nuclear hormone receptors","Cytochrome P450","MA: Metallo (M) Peptidases","1F. Retinoic acid-related orphans","CYP3 family","M1: Aminopeptidase N"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)","Cell Cycle",Metabolism,"Adaptive Immune System","Innate Immune System","RNA Polymerase II Transcription","Cell Cycle Checkpoints","Metabolism of lip
ids","Class I MHC mediated antigen processing & presentation","Neutrophil degranulation","Generic Transcription Pathway","G1/S DNA Damage Checkpoints","Biosynthesis of specialized proresolving mediato
rs (SPMs)","Antigen processing: Ubiquitination & Proteasome degradation","Transcriptional regulation by RUNX3","p53-Dependent G1/S DNA damage checkpoint","Transcriptional Regulation by MECP2","Biosynt
hesis of DHA-derived SPMs","RUNX3 Regulates Immune Response and Cell Migration","p53-Dependent G1 DNA Damage Response","Regulation of MECP2 expression and activity","Biosynthesis of maresins","Stabili
zation of p53","Biosynthesis of maresin-like SPMs","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{NHP2L1,RPL10L,RPL11,RPL13A,RPL15,RPL19,RPL23,RPL23A,RPL26L1,RPL3,RPL37,RPL8,RSL24D1}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{Q27286544,"Puromycin dihydrochloride",58-58-2,"Puromycin hydrochloride","Puromycin (Dihydrochloride)",UNII-PGN54228S5,"Puromycin 2HCl",PGN54228S5,MFCD00012691,"CL 16,536","P 638 dihydrochloride","Sty
lomycin dihydrochloride","3123L, dihydrochloride","Puromycin HCl","CL 13,900 dihydrochloride","Stylomycin hydrochloride","X 185",NCGC00094893-01,"NSC 3055","EINECS 200-387-8","CL16,536",AI3-26818,"pur
omycine dihydrochloride",CAS-58-58-2,SCHEMBL4317,DSSTox_CID_25861,DSSTox_RID_81181,DSSTox_GSID_45861,"Puromycin dihydrochloride from Streptomyces alboniger",C22H29N7O5.2HCl,CHEMBL2104870,DTXSID7045861
,HY-B1743A,Tox21_111352,AKOS024457973,CS-6857,FS-5016,"Puromycin dihydrochloride (animal free)",P-540,X3352,"Puromycin dihydrochloride.Cell cultured tested","Puromycin dihydrochloride from Streptomyce
s alboniger, >=98 (HPLC), powder",T2219}

> <pdid>
PD004400

> <targets>
{DNA synthesis,60S ribosome,Antibiotic,Bacterial}

> <classes>
{DNA Damage/DNA Repair,Microbiology&Virology,Anti-infection}

> <pubchem_cids>
{443311}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25368

> <plate>
PLATE 003

> <well>
H11

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 18 20  0  0  0  0            999 V2000
    5.8570   -1.2946    0.0000 C   0  0
    5.1047    0.0031    0.0000 C   0  0
    5.8528    1.3033    0.0000 O   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 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
   -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  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  4  1  0
  7  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  6  1  0
 17 18  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25369

> <plate>
PLATE 004

> <well>
A2

> <supplier_cmpd_name>
Napabucasin

> <ctcr_id>
11531

> <supplier_cmpd_id>
T3218

> <smiles>
CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O

> <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>
{STAT3}

> <broad_moa>
{"STAT inhibitor"}

> <synonyms>
{Napabucasin,83280-65-3,83280653,BBI608,"2-acetylnaphtho(2,3-b)furan-4,9-dione","2acetylnaphtho(2,3b)furan4,9dione","2-Acetylfuro-1,4-naphthoquinone","2Acetylfuro1,4naphthoquinone",BBI-608,"2-acetylbe
nzo(f)(1)benzofuran-4,9-dione","2acetylbenzo(f)(1)benzofuran4,9dione",UNII-Z1HHM49K7O,UNIIZ1HHM49K7O,"BBI 608",2-Acetylfuranonaphthoquinone,2Acetylfuranonaphthoquinone,Z1HHM49K7O,2-Acetyl-4H,2Acetyl4H
,9H-naphtho,9Hnaphtho,T3218}

> <pdid>
PD012666

> <targets>
{STAT3,STAT}

> <classes>
{JAK/STAT signaling,Stem Cells,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{10331844}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 28 30  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
   -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
   -6.5018    3.7420    0.0000 C   0  0
   -6.5068    5.2419    0.0000 O   0  0
   -7.7993    2.9876    0.0000 O   0  0
   -9.1010    3.7329    0.0000 C   0  0
   -1.3042    3.7556    0.0000 N   0  0
   -1.3088    5.2565    0.0000 C   0  0
   -2.6104    6.0021    0.0000 O   0  0
   -0.0119    6.0117    0.0000 C   0  0
   -0.0143    7.5117    0.0000 C   0  0
    1.2835    8.2639    0.0000 C   0  0
    2.5838    7.5160    0.0000 C   0  0
    2.5863    6.0160    0.0000 C   0  0
    1.2885    5.2639    0.0000 C   0  0
    1.2841    9.7647    0.0000 O   0  0
    2.5830   10.5150    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
  9 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
 23 27  1  0
 27 28  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25370

> <plate>
PLATE 004

> <well>
A3

> <supplier_cmpd_name>
WDR5-0103

> <ctcr_id>
11532

> <supplier_cmpd_id>
T3201

> <smiles>
CN1CCN(CC1)c1c(cc(cc1)C(=O)OC)NC(=O)c1cc(ccc1)OC

> <pd_targets>
{WDR5}

> <pathway_gtopdb>
{"Other nuclear protein"}

> <pathway_chembl>
{"Other protein targets","WD repeat-containing proteins"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX1","RUNX1 regulates genes involved in megakaryocyte differentiat
ion and platelet function"}

> <broad_targets>
{WDR5}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{DR5010,WDR5-0103,WDR50103,890190-22-4,890190224,"WDR5 0103","Methyl 3-((3-methoxybenzoyl)amino)-4-(4-methylpiperazin-1-yl)benzoate","Methyl 3((3methoxybenzoyl)amino)4(4methylpiperazin1yl)benzoate","M
ethyl 3-(3-methoxybenzamido)-4-(4-methylpiperazin-1-yl)benzoate","Methyl 3(3methoxybenzamido)4(4methylpiperazin1yl)benzoate",CHEMBL3906778,"WD-Repeat Protein 5-0103","WDRepeat Protein 50103",SCHEMBL20
214096,EX-A918,EXA918,BCP2415,T3201}

> <pdid>
PD012264

> <targets>
{WDR5}

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

> <pubchem_cids>
{6457069}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25371

> <plate>
PLATE 004

> <well>
A4

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 28 33  0  0  1  0            999 V2000
    2.5840   -8.2829    0.0000 O   0  0
    2.8570   -6.8080    0.0000 C   0  0
    4.2107   -6.1619    0.0000 N   0  0
    4.0146   -4.6747    0.0000 C   0  0
    5.0960   -3.6352    0.0000 O   0  0
    2.5536   -4.4230    0.0000 C   0  0  2  0  0  0
    1.8242   -5.7201    0.0000 C   0  0  2  0  0  0
    0.3349   -5.9052    0.0000 C   0  0
   -0.5693   -4.7231    0.0000 C   0  0
   -1.9763   -5.2432    0.0000 N   0  0
   -1.9162   -6.7412    0.0000 C   0  0
   -2.9899   -7.7886    0.0000 C   0  0
   -2.6197   -9.2422    0.0000 C   0  0
   -1.1758   -9.6484    0.0000 C   0  0
   -0.1020   -8.6010    0.0000 C   0  0
   -0.4722   -7.1474    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 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
   -2.5085   -1.7165    0.0000 C   0  0
   -2.3518   -3.2083    0.0000 C   0  0
   -0.9815   -3.8184    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  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  1
  8  9  2  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  8  1  0
 16 11  1  0
  6 17  1  6
 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  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 17  1  0
 27 28  2  0
 28 19  1  0
 28 23  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25372

> <plate>
PLATE 004

> <well>
A5

> <supplier_cmpd_name>
Tivantinib

> <ctcr_id>
7627

> <supplier_cmpd_id>
T6117

> <smiles>
O=C1NC(=O)[C@H]([C@@H]1c2c[nH]c3ccccc23)c4cn5CCCc6cccc4c56

> <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>
{"tyrosine kinase inhibitor"}

> <synonyms>
{"Tivantinib (USAN:INN)","Tivantinib; ARQ197","ARQ 197, Tivantinib",Tivantinib,905854-02-6,905854026,"ARQ 197",ARQ-197,ARQ197,UNII-PJ4H73IL17,UNIIPJ4H73IL17,"Tivantinib (ARQ 197)",PJ4H73IL17,1000873-9
8-2,1000873982,905853-99-8,905853998,"ARQ 197 (Tivantinib)","Tivantinib (ARQ-19","Tivantinib (ARQ19",T6117,A-1109,S2753,"Tivantinib | ARQ-197"}

> <pdid>
PD003457

> <targets>
{c-Met,Apoptosis,c-Met/HGFR}

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

> <pubchem_cids>
{11494412}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 23 25  0  0  1  0            999 V2000
    2.5923    1.5001    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0  2  0  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 N   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  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 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
    7.7980   -1.4850    0.0000 C   0  0
    9.0957   -0.7328    0.0000 O   0  0
    7.8010   -2.9858    0.0000 C   0  0
    9.1018   -3.7344    0.0000 C   0  0
   10.4019   -4.4826    0.0000 N   0  0
  2  1  1  6
  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  6
  8  9  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
 17 18  1  0
 18 10  1  0
 18 14  2  0
  5 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  3  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25373

> <plate>
PLATE 004

> <well>
A6

> <supplier_cmpd_name>
Tofacitinib

> <ctcr_id>
7403

> <supplier_cmpd_id>
T6321

> <smiles>
C[C@@H]1CCN(C[C@@H]1N(C)c2ncnc3[nH]ccc23)C(=O)CC#N

> <pd_targets>
{RPS6KA1,ULK3,CAMK2A,CAMK2D,JAK1,TYK2,JAK3,PKN1,JAK2,ROCK2,RPS6KA6,PRKCD,NUAK2,TNK1,CAMK1,ABL1,MAP4K2,DCLK3,RPS6KA2,FYN,LCK,PKNB,LRRK2,STK3,MKNK2,PKN2,GRK7,DMPK,DCLK1,CAMK1D,RET,ROCK1,BMP2K}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","Other protein kinase group","CAMK protein kinase group","TK protein kinase group","STE protein kinase group","TKL protein kinase group","AGC
 protein kinase RSK family","Other protein kinase ULK family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase JakA family","AGC protein kinase PKN family","AGC protein kinase DMPK family",
"AGC protein kinase PKC family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Abl family","STE protein kinase STE20 family","CAMK protein kinase DCAM
K1 family","Tyrosine protein kinase Src family","TKL protein kinase LRRK family","CAMK protein kinase MAPKAPK family","AGC protein kinase GRK family","Tyrosine protein kinase Ret family","Other protei
n kinase NAK family","AGC protein kinase RSK subfamily","AGC protein kinase ROCK subfamily","AGC protein kinase PKC delta subfamily","CAMK protein kinase NuaK subfamily","STE protein kinase KHS subfam
ily","Tyrosine protein kinase SrcA","STE protein kinase MST subfamily","CAMK protein kinase MNK subfamily","AGC protein kinase GRK subfamily","AGC protein kinase GEK subfamily"}

> <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","RSK family","Other protein kinases","CAMK2 family","TK: Tyrosine kinase","Protein kinase N (PKN) family","DMPK family","Protein kinase C (PKC) family","C
AMK-like (CAMKL) family","CAMK1 family","STE20 family","DCAMKL family","TKL: Tyrosine kinase-like","MAPK-Activated Protein Kinase (MAPKAPK) family","G protein-coupled receptor kinases (GRKs)","RSK sub
family","Unc-51-like kinase (ULK) family","Non-receptor tyrosine kinases (nRTKs)","Rho kinase","Delta subfamily","NuaK subfamily","KHS subfamily","Leucine-rich repeat kinase (LRRK) family","MST subfam
ily","MKN subfamily","Opsin/rhodopsin kinases","GEK subfamily","Receptor tyrosine kinases (RTKs)","Numb-associated kinase (NAK) family","Janus kinase (JakA) family","Ack family","Abl family","Src fami
ly","Type XIV RTKs: RET"}

> <pathway_reactome>
{"Immune System","Signal Transduction","Neuronal System","Cell Cycle","Developmental Biology",Disease,"Muscle contraction","Innate Immune System","Signaling by Hedgehog","Transmission across Chemical 
Synapses","Cytokine Signaling in Immune system","Signaling by Rho GTPases",Mitotic,"Nervous system development","Intracellular signaling by second messengers","Infectious disease","Signaling by Non-Re
ceptor Tyrosine Kinases","Signaling by Hippo","Signaling by GPCR","Cardiac conduction","Toll-like Receptor Cascades","Hedgehog 'on' state","Neurotransmitter receptors and postsynaptic signal transmiss
ion","Interferon Signaling","Signaling by Interleukins","RHO GTPase Effectors","Mitotic G1 phase and G1/S transition","Axon guidance","DAG and IP3 signaling","Leishmania infection","HIV Infection","Si
gnaling by PTK6","GPCR downstream signalling","Ion homeostasis","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic events","Antiviral mechanism by IFN-stimulated gene
s","Interferon alpha/beta signaling","Interleukin-2 family signaling","RHO GTPases activate PKNs","G1 Phase","Semaphorin interactions","CaM pathway","Parasite infection","Host Interactions of HIV fact
ors","PTK6 promotes HIF1A stabilization","G alpha (i) signalling events","RET signaling","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","ISG15 antiviral mechanism"
,"Regulation of IFNA signaling","Interleukin-15 signaling","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Cyclin D associated events in G1","Sema4D 
in semaphorin signaling","Calmodulin induced events","Leishmania phagocytosis","The role of Nef in HIV-1 replication and disease pathogenesis","Visual phototransduction","MAP kinase activation","CREB1
 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Sema4D induced cell migration and growth-cone collapse","Activation of RAC1 downstream of NMDARs","FCGR3A-mediated phagocy
tosis","Nef and signal transduction","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","The phototransduction cascade","MAPK targets/ Nuclear events medi
ated by MAP kinases","Ras activation upon Ca2+ influx through NMDA receptor","RSK activation","Nef Mediated CD4 Down-regulation",Inactivation,"recovery and regulation of the phototransduction cascade"
,"CREB phosphorylation"}

> <broad_targets>
{JAK1,JAK2,JAK3}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{EX-A205,EXA205,BCPP000274,Tofacitinib,Tasocitinib,477600-75-2,477600752,CP-690550,CP690550,"CP 690550",racemic-tofacitinib,racemictofacitinib,1259404-17-5,1259404175,rac-Tofacitinib,racTofacitinib,"C
P-690,550","CP690,550","Tofacitinib (CP-690550,Tasocitinib)","Tofacitinib (CP690550,Tasocitinib)",UNII-87LA6FU830,UNII87LA6FU830,CHEMBL221959,CHEBI:71200,87LA6FU830,"477600-75-2 (free b","477600752 (f
ree b",S2789}

> <pdid>
PD003234

> <targets>
{JAK3,JAK}

> <classes>
{}

> <pubchem_cids>
{9926791}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 31 36  0  0  1  0            999 V2000
    3.8805   -1.4410    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
    2.5981    1.5000    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
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.3114   -2.9665    0.0000 C   0  0  2  0  0  0
   -0.5701   -4.1788    0.0000 C   0  0
    0.0400   -5.5491    0.0000 C   0  0
    1.5318   -5.7059    0.0000 C   0  0
    2.1419   -7.0762    0.0000 C   0  0
    3.6337   -7.2330    0.0000 C   0  0  2  0  0  0
    4.5154   -6.0194    0.0000 C   0  0
    3.9053   -4.6491    0.0000 C   0  0
    2.4135   -4.4923    0.0000 C   0  0  1  0  0  0
    3.2949   -3.2786    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0  1  0  0  0
    4.2438   -8.6033    0.0000 O   0  0
   -0.5753    2.9306    0.0000 O   0  0
    0.5394    3.9343    0.0000 C   0  0  2  0  0  0
    0.5387    5.4332    0.0000 C   0  0
    1.8378    6.1832    0.0000 C   0  0  1  0  0  0
    3.1368    5.4332    0.0000 C   0  0
    3.1368    3.9332    0.0000 N   0  0
    1.8384    3.1843    0.0000 C   0  0  1  0  0  0
    1.5266    1.7170    0.0000 C   0  0  1  0  0  0
    2.5504    0.6208    0.0000 C   0  0
    1.8378    7.6832    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  6  4  1  6
  6  7  1  0
  7  8  1  0
  9  8  1  6
  9  3  1  0
  9 10  1  0
 10 11  1  1
 11 12  1  0
 12 13  2  3
 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
 18 20  1  0
 20  2  1  6
 20 10  1  0
 15 21  1  6
  6 22  1  0
 23 22  1  6
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 28 27  1  1
 28 23  1  0
 28 29  1  0
 29  6  1  0
 29 30  1  1
 25 31  1  6
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25374

> <plate>
PLATE 004

> <well>
A7

> <supplier_cmpd_name>
Jervine

> <ctcr_id>
11677

> <supplier_cmpd_id>
T3363

> <smiles>
O=C1C2=C(C)[C@]3(CC[C@H]2[C@@H]2CC=C4C[C@H](CC[C@]4(C)[C@@H]12)O)O[C@@H]1C[C@@H](CN[C@H]1[C@H]3C)C

> <pd_targets>
{ERG2,SHH}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Isomerase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Hh mutants abrogate ligand secretion","HHAT G278V doesn't palmitoylate Hh-Np"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{JERVINE,469-59-0,469590,Iervin,11-Ketocyclopamine,11Ketocyclopamine,UNII-19V3ECX465,UNII19V3ECX465,C27H39NO3,"Jerwiny (Polish)",CHEBI:6088,CHEMBL186779,19V3ECX465,NSC23898,MFCD01684066,"HSDB 3502",Je
rwiny,NSC7520,"NSC 7520","EINECS 207-417-9","EINECS 2074179","BRN 0059109",NSC-7520,Veratraman-11-one,Veratraman11one,23,T3363,Jervine}

> <pdid>
PD011937

> <targets>
{Hedgehog,Smoothened,Smo}

> <classes>
{GPCR/G Protein,Stem Cells,Stem Cell/Wnt}

> <pubchem_cids>
{10098}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 21 23  0  0  0  0            999 V2000
   -0.2290   -5.5067    0.0000 C   0  0
   -0.6913   -4.0797    0.0000 C   0  0
   -2.1584   -3.7671    0.0000 C   0  0
   -1.6957   -5.1937    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
    8.1957   -0.1733    0.0000 Cl  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
  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 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
  7 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  5  1  0
 21 15  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25375

> <plate>
PLATE 004

> <well>
A8

> <supplier_cmpd_name>
PP2

> <ctcr_id>
4439

> <supplier_cmpd_id>
T6266

> <smiles>
CC(C)(C)n1nc(c2ccc(Cl)cc2)c3c(N)ncnc13

> <pd_targets>
{RPL19A,SRC,APE1,LCK,EPHB2,FYN,SMN1,MAP2K2,TNK2,SIK2,ACVR1,HCK,RIPK2,CSK,ABL1,MAPK14,MAPK9,CYP2C19,CLK4,MELK,MAP2K1,PDGFRA,CSNK1D,PRKACA,MAPK8,CSNK1A1,BTK,CDK8,EGFR,CYP2C9,CYP1A2,CDK5,MAPK10,KDR,PDGFR
B,DAPK3}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Epigenetic regulator",Kinase,Protease,Reader,"Cytochrome P450","Protein Kinase","Metallo protease","Methyl-lysine/arginine binding protein","Cytochrome P450 family 2","
Cytochrome P450 family 1","TK protein kinase group","Metallo protease MH clan","Tudor domain","STE protein kinase group","CAMK protein kinase group","TKL protein kinase group","CMGC protein kinase gro
up","Cytochrome P450 family 2C","CK1 protein kinase group","AGC protein kinase group","Cytochrome P450 family 1A","Tyrosine protein kinase Src family","Metallo protease M18 family","Tyrosine protein k
inase Eph family","STE protein kinase STE7 family","Tyrosine protein kinase Ack family","CAMK protein kinase CAMK1 family","TKL protein kinase STKR family","TKL protein kinase RIPK family","Tyrosine p
rotein kinase Csk family","Tyrosine protein kinase Abl family","CMGC protein kinase MAPK family","Cytochrome P450 2C19","CMGC protein kinase CLK family","Tyrosine protein kinase PDGFR family","CK1 pro
tein kinase CK1 family","AGC protein kinase PKA family","Tyrosine protein kinase Tec family","CMGC protein kinase CDK family","Tyrosine protein kinase EGFR family","Cytochrome P450 2C9","Cytochrome P4
50 1A1","Tyrosine protein kinase VEGFR family","CAMK protein kinase DAPK family","Tyrosine protein kinase SrcA","CAMK protein kinase QIK subfamily","TKL protein kinase STKR1","CMGC protein kinase p38 
subfamily","CMGC protein kinase JNK subfamily","CAMK protein kinase MELK subfamily","CMGC protein kinase CDK8 subfamily","CMGC protein kinase CDK5 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-depe
ndent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP2 family: drug metabolising subset","CK1: Casein kinase 1","AGC: Containing PKA",PKG,"PKC families","CYP1 family","TK: Tyrosi
ne kinase","STE7 family","CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","Mitogen-activated protein kinases (MAP kinases)","CLK family","Casein kinase 1 (CK1) family","Protein kinase A (PKA) fa
mily","Cyclin-dependent kinase (CDK) family","Death-associated kinase (DAPK) family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","QIK subfamily","Receptor serine/threoni
ne kinase (RSTK) family","Receptor interacting protein kinase (RIPK) family","p38 subfamily","JNK subfamily","MELK subfamily","CDK8 subfamily","CDK5 subfamily","Src family","Type XIII RTKs: Ephrin rec
eptor family","Ack family","Type I receptor serine/threonine kinases","Csk family","Abl family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Tec family","Type I RTKs: ErbB (epidermal growth
 factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Developmental Biology","Metabolism of RNA","Immune System",Metabolism,"Cell Cycle","Gene expression (Transcription)","Programmed Cell Death","Signaling by Receptor Tyro
sine Kinases","Infectious disease","Nervous system development","Metabolism of non-coding RNA","Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers"
,"Biological oxidations",Mitotic,"Signaling by GPCR","RNA Polymerase II Transcription","Intracellular signaling by second messengers",Apoptosis,"Signaling by NTRKs","HIV Infection","Axon guidance","sn
RNP Assembly","Toll-like Receptor Cascades","Oncogenic MAPK signaling","Leishmania infection","Phase I - Functionalization of compounds","Signaling by PDGFR in disease","Mitotic G2-G2/M phases","Signa
ling by WNT in cancer","Signaling by NOTCH1 in Cancer","GPCR downstream signalling","Generic Transcription Pathway","Signaling by VEGF","PIP3 activates AKT signaling","Caspase activation via extrinsic
 apoptotic signalling pathway","Signaling by NTRK1 (TRKA)","Host Interactions of HIV factors","EPH-Ephrin signaling","Toll Like Receptor 5 (TLR5) Cascade","Signaling by RAS mutants","Parasite infectio
n","Cytochrome P450 - arranged by substrate type","Drug resistance of PDGFR mutants","G2/M Transition","Signaling by AMER1 mutants","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","G alpha (q) 
signalling events","Transcriptional Regulation by TP53","VEGFA-VEGFR2 Pathway","Negative regulation of the PI3K/AKT network","Caspase activation via Dependence Receptors in the absence of ligand","Sig
nalling to ERKs","The role of Nef in HIV-1 replication and disease pathogenesis","EPHB-mediated forward signaling","MyD88 cascade initiated on plasma membrane","Signaling downstream of RAS mutants","L
eishmania phagocytosis",Xenobiotics,"Imatinib-resistant PDGFR mutants","Centrosome maturation","Truncations of AMER1 destabilize the destruction complex","Constitutive Signaling by NOTCH1 HD+PEST Doma
in Mutants","Gastrin-CREB signalling pathway via PKC and MAPK","Regulation of TP53 Activity","VEGFR2 mediated cell proliferation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Signalling to RAS","
Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Nef and signal transduction","Prolonged ERK activation events","MAP kinase activation","FCGR3A-mediated
 phagocytosis","CYP2E1 reactions","Loss of proteins required for interphase microtubule organization from the centrosome","EGFR Transactivation by Gastrin","Aromatic amines can be N-hydroxylated or N-
dealkylated by CYP1A2","Regulation of TP53 Activity through Phosphorylation","p38MAPK events","Nef Mediated CD4 Down-regulation","Frs2-mediated activation","activated TAK1 mediates p38 MAPK activation
","MAPK targets/ Nuclear events mediated by MAP kinases","Loss of Nlp from mitotic centrosomes","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{ABL1,LCK,RIPK2,SRC}

> <broad_moa>
{"SRC inhibitor"}

> <synonyms>
{172889-27-9,172889279,pp2,"PP 2","1-(tert-butyl)-3-(4-chlorophenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine","1(tertbutyl)3(4chlorophenyl)1Hpyrazolo(3,4d)pyrimidin4amine","AG 1879","1-tert-butyl-3-(4-chl
orophenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine","1tertbutyl3(4chlorophenyl)1Hpyrazolo(3,4d)pyrimidin4amine","1-tert-butyl-3-(4-chlorophenyl)pyrazolo(3,4-d)pyrimidin-4-amine","1tertbutyl3(4chlorophenyl
)pyrazolo(3,4d)pyrimidin4amine","AGL 1879",T6266,EI-297,1407,S7008,PP2}

> <pdid>
PD010654

> <targets>
{Src,"Src family"}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{4878}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 33 38  0  0  0  0            999 V2000
    6.4924   -3.7566    0.0000 C   0  0
    5.1945   -3.0045    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 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
    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
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -2.7390   -2.9810    0.0000 C   0  0
   -4.2067   -3.2906    0.0000 C   0  0
   -4.8189   -4.6599    0.0000 O   0  0
   -4.9546   -1.9904    0.0000 N   0  0
   -3.9491   -0.8772    0.0000 C   0  0
   -4.2500    0.5923    0.0000 O   0  0
   -1.6193   -3.9804    0.0000 C   0  0
   -0.2027   -3.5242    0.0000 C   0  0
    0.6571   -4.7533    0.0000 N   0  0
   -0.2458   -5.9501    0.0000 C   0  0
    0.0398   -7.4227    0.0000 C   0  0
   -1.0927   -8.4063    0.0000 C   0  0
   -2.5108   -7.9173    0.0000 C   0  0
   -2.7963   -6.4448    0.0000 C   0  0
   -1.6639   -5.4612    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 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  2  0
 17  8  1  0
 16 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 18  1  0
 23 24  2  0
 19 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 25  1  0
 33 28  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25376

> <plate>
PLATE 004

> <well>
A9

> <supplier_cmpd_name>
Sotrastaurin

> <ctcr_id>
4215

> <supplier_cmpd_id>
T6278

> <smiles>
CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6ccccc56

> <pd_targets>
{PTK2,AKT1,PKN2,PRKCB,PRKCA,KDR,JAK1,AXL,MST1R,BRSK1,RPS6KB1,PRKCD,FLT4,PDK1,PRKCZ,PRKCH,PRKCE,CCNA1,CCNA2,CDK2,CAMK2A,GSK3A,PIM1,PRKCI,FER,MAP4K5,CYP3A4,CAMK2D,GSK3B,PRKCQ,PRKAA1,MARK3,JAK3,FYN,ERBB2
,TAOK1,PIM3,DYRK3,CDK1,GRK5,PDGFRB,CAMK2B,SLK,PLK1,PRKG1,MAP4K4,STK3,AKT2,CDK5,MINK1,PRKCG,CAMK1D,RPS6KA3,SGK2,CAMK2G,LRRK2,PIM2,PDPK1,ABL1,EGFR,MAP2K1,LTK,PRKD1,PRKD3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 3","TK protein kinase group","AGC protein kinase group","CAMK protein kinase group","Atypical protein kinase group","CMGC prot
ein kinase group","STE protein kinase group","Cytochrome P450 family 3A","Other protein kinase group","TKL protein kinase group","Tyrosine protein kinase Fak family","AGC protein kinase AKT family","A
GC protein kinase PKN family","AGC protein kinase PKC family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase JakA family","Tyrosine protein kinase Axl family","Tyrosine protein kinase
 Met family","CAMK protein kinase CAMK1 family","AGC protein kinase RSK family","Atypical protein kinase PDHK subfamily","CMGC protein kinase CDK family","CAMK protein kinase CAMK2 family","CMGC prote
in kinase GSK family","CAMK protein kinase PIM family","Tyrosine protein kinase Fer family","STE protein kinase STE20 family","Cytochrome P450 3A4","Tyrosine protein kinase Src family","Tyrosine prote
in kinase EGFR family","CMGC protein kinase DYRK family","AGC protein kinase GRK family","Tyrosine protein kinase PDGFR family","Other protein kinase PLK family","AGC protein kinase PKG family","AGC p
rotein kinase SGK family","TKL protein kinase LRRK family","AGC protein kinase PDK1 subfamily","Tyrosine protein kinase Abl family","STE protein kinase STE7 family","Tyrosine protein kinase Alk family
","AGC protein kinase PKC alpha subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinase p70 subfamily","AGC protein kinase PKC delta subfamily","AGC protein kinase PKC iota subfamily","AGC
 protein kinase PKC eta subfamily","CMGC protein kinase CDC2 subfamily","STE protein kinase KHS subfamily","CAMK protein kinase AMPK subfamily","CAMK protein kinase MARK subfamily","Tyrosine protein k
inase SrcA","STE protein kinase TAO subfamily","CMGC protein kinase Dyrk2 subfamily","AGC protein kinase GRK subfamily","STE protein kinase SLK subfamily","STE protein kinase MSN subfamily","STE prote
in kinase MST subfamily","CMGC protein kinase CDK5 subfamily","AGC protein kinase RSK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases",Atypi
cal,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CYP3 family","TK: Tyrosine kinase","Akt (Protein kinase B","PKB) family","Prot
ein kinase N (PKN) family","Protein kinase C (PKC) family","CAMK-like (CAMKL) family","RSK family","PDHK family","CAMK2 family","Glycogen synthase kinase (GSK) family","PIM family","STE20 family","Dua
l-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Cyclin-dependent kinase (CDK) family","G protein-coupled receptor kinases (GRKs)","Other protein kinases","Protein kinase G 
(PKG) family","CAMK1 family","SGK family","TKL: Tyrosine kinase-like","PDK1 family","STE7 family","Non-receptor tyrosine kinases (nRTKs)","Alpha subfamily","Delta subfamily","Receptor tyrosine kinases
 (RTKs)","BRSK subfamily","p70 subfamily","Iota subfamily","Eta subfamily","GSK subfamily","KHS subfamily","AMPK subfamily","MARK subfamily","TAO subfamily","Dyrk2 subfamily","CDK1 subfamily","GRK4 su
bfamily","SLK subfamily","Polo-like kinase (PLK) family","MSN subfamily","MST subfamily","CDK5 subfamily","RSK subfamily","Leucine-rich repeat kinase (LRRK) family","Fak family","Type IV RTKs: VEGF (v
ascular endothelial growth factor) receptor family","Janus kinase (JakA) family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor fa
mily","Fer family","Src family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Abl family","Type XIX RTKs: Leukocyte tyrosine kin
ase (LTK) receptor family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Signal Transduction","Cell Cycle","Immune System",Metabolism,"Neuronal System","Developmental Biology",Hemostasis,"Cellular responses to external stimuli","
Transport of small molecules","Infectious disease","RNA Polymerase II Transcription","Signaling by Rho GTPases",Mitotic,"Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","Cytokine Signaling
 in Immune system","MTOR signalling","Intracellular signaling by second messengers","The citric acid (TCA) cycle and respiratory electron transport","Signaling by Nuclear Receptors","Innate Immune Sys
tem","Transmission across Chemical Synapses","Diseases of signal transduction by growth factor receptors and second messengers","Death Receptor Signalling","Metabolism of lipids","Nervous system devel
opment","Platelet homeostasis","Cellular responses to stress","Signaling by Hippo","Ion channel transport","Signaling by Non-Receptor Tyrosine Kinases","Leishmania infection","Generic Transcription Pa
thway","RHO GTPase Effectors","M Phase","GPCR downstream signalling","Signaling by VEGF","Interferon Signaling","Signaling by MST1","mTORC1-mediated signalling","DAG and IP3 signaling","Pyruvate metab
olism and Citric Acid (TCA) cycle","ESR-mediated signaling","Fcgamma receptor (FCGR) dependent phagocytosis","Neurotransmitter receptors and postsynaptic signal transmission","SARS-CoV Infections","FL
T3 signaling in disease","p75 NTR receptor-mediated signalling","Signaling by SCF-KIT","Biosynthesis of specialized proresolving mediators (SPMs)","Oncogenic MAPK signaling","Signaling by Interleukins
","HIV Infection","Axon guidance","Regulation of mitotic cell cycle","PIP3 activates AKT signaling","Mitotic G2-G2/M phases","Nitric oxide stimulates guanylate cyclase","Cellular Senescence","Signalin
g by Insulin receptor","Toll-like Receptor Cascades","Stimuli-sensing channels","Signaling by PTK6","Signaling by NTRKs","Parasite infection","Transcriptional Regulation by TP53","RHO GTPases activate
 PKNs","Mitotic Prophase","G alpha (i) signalling events","VEGFA-VEGFR2 Pathway","Antiviral mechanism by IFN-stimulated genes","CaM pathway","VEGF ligand-receptor interactions","Pyruvate metabolism","
Extra-nuclear estrogen signaling","G alpha (z) signalling events","Role of phospholipids in phagocytosis","Activation of NMDA receptors and postsynaptic events","SARS-CoV-1 Infection","Signaling by FL
T3 ITD and TKD mutants","p75NTR signals via NF-kB","Biosynthesis of DHA-derived SPMs","Signaling by RAS mutants","Interleukin-2 family signaling","Host Interactions of HIV factors","Semaphorin interac
tions","Mitotic Metaphase and Anaphase","APC/C-mediated degradation of cell cycle proteins","G alpha (q) signalling events","Negative regulation of the PI3K/AKT network","G2/M Transition","cGMP effect
s","Oxidative Stress Induced Senescence","Insulin receptor signalling cascade","Glutamate binding","activation of AMPA receptors and synaptic plasticity","Toll Like Receptor 5 (TLR5) Cascade","PTK6 pr
omotes HIF1A stabilization","Signaling by NTRK1 (TRKA)","Leishmania phagocytosis","Regulation of TP53 Activity","Nuclear Envelope Breakdown","Visual phototransduction","VEGFR2 mediated cell proliferat
ion","ISG15 antiviral mechanism","Calmodulin induced events","VEGF binds to VEGFR leading to receptor dimerization","Regulation of pyruvate dehydrogenase (PDH) complex","Estrogen-stimulated signaling 
through PRKCZ","Post NMDA receptor activation events","SARS-CoV-1 Genome Replication and Transcription","STAT5 activation downstream of FLT3 ITD mutants","p75NTR recruits signalling complexes","Biosyn
thesis of maresins","Signaling downstream of RAS mutants","Interleukin-15 signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Sema4D in semaphorin signaling","Mitotic Anaphase"
,"Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Centrosome maturation","IRS-mediated signalling","Trafficking of AMPA 
receptors","MyD88 cascade initiated on plasma membrane","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","FCGR3A-mediated phagocytosis","Regulation of TP53 Expression and Degrad
ation","Depolymerisation of the Nuclear Lamina","The phototransduction cascade","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Replication of the SARS-CoV-1 genome
","Biosynthesis of maresin-like SPMs","Regulation of TP53 Activity through Phosphorylation","Nef and signal transduction","Sema4D induced cell migration and growth-cone collapse","Separation of Sister
 Chromatids","APC/C:Cdc20 mediated degradation of mitotic proteins","Loss of proteins required for interphase microtubule organization from the centrosome","PI3K Cascade","Trafficking of GluR2-contain
ing AMPA receptors","MAP kinase activation","EGFR Transactivation by Gastrin","Prolonged ERK activation events","Regulation of TP53 Degradation",Inactivation,"recovery and regulation of the phototrans
duction cascade","Ras activation upon Ca2+ influx through NMDA receptor","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Loss of Nlp from mit
otic centrosomes","PKB-mediated events","MAPK targets/ Nuclear events mediated by MAP kinases","Frs2-mediated activation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","PDE3B signalling","CRE
B phosphorylation"}

> <broad_targets>
{PRKCA,PRKCB,PRKCD,PRKCE,PRKCH,PRKCQ}

> <broad_moa>
{"PKC inhibitor"}

> <synonyms>
{Sotrastaurin,425637-18-9,425637189,AEB071,"Sotrastaurin (AEB071)",AEB-071,UNII-7I279E1NZ8,UNII7I279E1NZ8,NVP-AEB071,NVPAEB071,"AEB 071",CHEBI:90531,7I279E1NZ8,"Sotrastaurin (USAN:INN)",sotrastaurina,
sotrastaurine,sotrastaurinum,Kinome_2717,Kinome2717,Kinome-2717,"Kinome 2717","Sotrastaurin (USAN/INN)",NVP-AEB-071,CHEMBL,T6278,16726,S2791,sotrastaurin}

> <pdid>
PD003283

> <targets>
{PKC}

> <classes>
{TGF-beta/Smad,Epigenetics}

> <pubchem_cids>
{10296883}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 33 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
    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
   -3.1905    2.6376    0.0000 C   0  0
   -4.6589    2.9478    0.0000 C   0  0
   -5.1253    4.3743    0.0000 C   0  0
   -6.5938    4.6845    0.0000 N   0  0
   -7.0600    6.1102    0.0000 C   0  0
   -7.5957    3.5682    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
    0.0000   -1.5000    0.0000 C   0  0
   -3.1884   -2.6409    0.0000 C   0  0
   -4.5650   -3.1911    0.0000 C   0  0
   -4.4475   -4.6865    0.0000 C   0  0
   -5.5882   -5.6605    0.0000 O   0  0
   -2.9890   -5.0368    0.0000 N   0  0
   -2.2051   -3.7579    0.0000 C   0  0
   -0.7106   -3.6291    0.0000 O   0  0
   -5.8396   -2.3989    0.0000 C   0  0
   -7.1567   -3.0918    0.0000 C   0  0
   -8.2151   -2.0288    0.0000 N   0  0
   -7.5314   -0.6946    0.0000 C   0  0
   -8.0659    0.7069    0.0000 C   0  0
   -7.1194    1.8706    0.0000 C   0  0
   -5.6383    1.6327    0.0000 C   0  0
   -5.1038    0.2312    0.0000 C   0  0
   -6.0503   -0.9325    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
 11 13  1  0
  7 14  1  0
 14 15  2  0
 15 16  1  0
 16  6  1  0
 16 17  2  0
 17  3  1  0
 15 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 18  1  0
 23 24  2  0
 19 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 25  1  0
 33 28  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25377

> <plate>
PLATE 004

> <well>
A10

> <supplier_cmpd_name>
Go 6983

> <ctcr_id>
1001

> <supplier_cmpd_id>
T6313

> <smiles>
COc1ccc2n(CCCN(C)C)cc(c2c1)C3=C(C(=O)NC3=O)c4c[nH]c5ccccc45

> <pd_targets>
{PRKCD,PRKCG,PRKCB,PRKCZ,PRKCA,CACNA1C,CACNB2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel","Protein Kinase","Voltage-gated calcium channel","AGC protein kinase group","AGC protein kinase PKC family","AGC protein kinase PKC delta subfa
mily","AGC protein kinase PKC alpha subfamily","AGC protein kinase PKC iota subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","Protein kinase C (PKC) family","Delta subfamily","Alpha subfamily","Iota subfamily"}

> <pathway_reactome>
{"Signal Transduction","Neuronal System","Cell Cycle","Intracellular signaling by second messengers","Transmission across Chemical Synapses",Mitotic,"Signaling by Nuclear Receptors","Signaling by GPCR
","DAG and IP3 signaling","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","ESR-mediated signaling","GPCR downstream signalling","CaM pathway","Glutamate binding","activatio
n of AMPA receptors and synaptic plasticity","Mitotic Prophase","Extra-nuclear estrogen signaling","G alpha (i) signalling events","Calmodulin induced events","Trafficking of AMPA receptors","Nuclear 
Envelope Breakdown","Estrogen-stimulated signaling through PRKCZ","Visual phototransduction","Trafficking of GluR2-containing AMPA receptors","Depolymerisation of the Nuclear Lamina","The phototransdu
ction cascade",Inactivation,"recovery and regulation of the phototransduction cascade"}

> <broad_targets>
{PRKCA,PRKCB,PRKCD,PRKCG,PRKCZ}

> <broad_moa>
{"protein kinase inhibitor"}

> <synonyms>
{Go6983,Go-6983,"Go 6983","Goe 6983",Go-6893,Go6893,"Go 6893",Goe-6983,Goe6983,"Go 6983;Goe 6983","G? 6983",MFCD04040031,"G&ouml; 6983","Gouml 6983",MLS006011225,CHEMBL261491,GTPL5192,SCHEMBL1680253,C
HEBI:91455,DTXSID60274402,HMS3229E15,HMS3650B11,HMS3651D10,BCP06669,EX-A1221,EXA1221,"EX A1221",ZINC252,T6313,"EMD 365251",SY-Go6983,365251}

> <pdid>
PD010518

> <targets>
{PKC}

> <classes>
{}

> <pubchem_cids>
{3499}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25378

> <plate>
PLATE 004

> <well>
A11

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 25  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
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.3253    1.1905    0.0000 N   0  0
   -6.1992   -0.0286    0.0000 C   0  0
   -5.3098   -1.2365    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -4.0409   -2.2431    0.0000 O   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
   -5.8043    2.6128    0.0000 C   0  0
   -4.8986    3.8026    0.0000 C   0  0
   -5.4788    5.1858    0.0000 C   0  0
   -6.9669    5.3750    0.0000 C   0  0
   -7.8747    4.1809    0.0000 C   0  0
   -7.2945    2.7977    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  7  1  0
 11 12  1  1
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15  5  1  0
 15 16  2  0
 16  2  1  0
  8 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_L8000_Stem cell Differentiation Compound Library

> <id>
25379

> <plate>
PLATE 004

> <well>
B2

> <supplier_cmpd_name>
(-)-Blebbistatin

> <ctcr_id>
7354

> <supplier_cmpd_id>
T6038

> <smiles>
Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c4ccccc4

> <pd_targets>
{KMT2A,MEN1,CYP3A4,CYP2C9,CYP2D6,CYP2C19,MAPT,RORC,CYP1A2}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain,Enzyme,"Other cytosolic protein","Transcription factor","Cytochrome P450","Nuclear receptor","Cytochrome P450 family 3","Cytochrome P450 family 2","Nuclear h
ormone receptor subfamily 1","Cytochrome P450 family 1","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Nuclear hormone receptor subfamily 1 group F","Cytochrome P
450 family 1A","Cytochrome P450 3A4","Cytochrome P450 2C9","Cytochrome P450 2D6","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 1A1"}

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

> <pathway_reactome>
{Metabolism,"Neuronal System","Gene expression (Transcription)","Metabolism of lipids","Biological oxidations","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Biosynthesis o
f specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Biosynthesis 
of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Biosynthesis of maresins",Xenobiotics,
"Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Activation of AMPK downstream of NMDARs","Aromatic a
mines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{)BLEBBISTATI,(-)-Blebbistatin,()Blebbistatin,856925-71-8,856925718,(S)-(-)-Blebbistatin,(S)()Blebbistatin,(S)-blebbistatin,(S)blebbistatin,UNII-8WII7624I5,UNII8WII7624I5,CHEBI:75388,8WII7624I5,MFCD08
460907,"Blebbistatin, (-)-","Blebbistatin, ()",(&minus;)-Blebbistatin,(&minus;)Blebbistatin,"Blebbistatin (S)-form (MI)","Blebbistatin (S)form (MI)",(-)Blebbistatin,blebbistatin-(-),blebbistatin(),(?)
-Blebbista,(?)Blebbista,S7099}

> <pdid>
PD003595

> <targets>
{ATPase}

> <classes>
{}

> <pubchem_cids>
{5287792}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 58 63  0  0  1  0            999 V2000
    2.5709   -7.4990    0.0000 C   0  0
    2.5790   -5.9990    0.0000 C   0  0  1  0  0  0
    1.2840   -5.2421    0.0000 C   0  0  1  0  0  0
    1.2920   -3.7421    0.0000 C   0  0  2  0  0  0
    2.5950   -2.9991    0.0000 C   0  0  2  0  0  0
    3.8901   -3.7560    0.0000 C   0  0  1  0  0  0
    3.8820   -5.2560    0.0000 O   0  0
    5.1924   -3.0099    0.0000 O   0  0
    6.4901   -3.7638    0.0000 C   0  0  2  0  0  0
    6.4891   -5.2639    0.0000 C   0  0  1  0  0  0
    7.7876   -6.0147    0.0000 C   0  0  1  0  0  0
    7.7866   -7.5147    0.0000 O   0  0
    9.0872   -5.2656    0.0000 C   0  0  1  0  0  0
    9.0882   -3.7656    0.0000 O   0  0
    7.7896   -3.0146    0.0000 C   0  0  1  0  0  0
    7.7937   -1.5138    0.0000 O   0  0
    9.0950   -0.7661    0.0000 C   0  0
    9.1012    0.7339    0.0000 C   0  0
   10.4033    1.4785    0.0000 O   0  0
   11.6993    0.7232    0.0000 C   0  0
   11.6931   -0.7768    0.0000 C   0  0
   10.3909   -1.5215    0.0000 C   0  0
   10.3847   -3.0214    0.0000 O   0  0
   12.9890   -1.5322    0.0000 C   0  0
   14.2911   -0.7876    0.0000 C   0  0
   14.2973    0.7124    0.0000 C   0  0
   13.0014    1.4678    0.0000 C   0  0
   13.0107    2.9686    0.0000 C   0  0
   14.3146    3.7118    0.0000 C   0  0
   14.3239    5.2126    0.0000 C   0  0
   15.6271    5.9553    0.0000 C   0  0
   13.0293    5.9702    0.0000 C   0  0
   15.6017    1.4548    0.0000 O   0  0
   16.8973    0.6972    0.0000 C   0  0  1  0  0  0
   18.2020    1.4372    0.0000 C   0  0  1  0  0  0
   19.4953    0.6774    0.0000 C   0  0  2  0  0  0
   19.4839   -0.8226    0.0000 C   0  0  1  0  0  0
   18.1792   -1.5627    0.0000 C   0  0  2  0  0  0
   16.8859   -0.8029    0.0000 O   0  0
   18.1709   -3.0635    0.0000 C   0  0
   19.4653   -3.8215    0.0000 O   0  0
   20.7773   -1.5824    0.0000 O   0  0
   20.8000    1.4175    0.0000 O   0  0
   18.2135    2.9372    0.0000 O   0  0
   12.9828   -3.0322    0.0000 O   0  0
    7.8046    1.4896    0.0000 C   0  0
    6.5012    0.7471    0.0000 C   0  0
    5.2065    1.5046    0.0000 C   0  0
    5.2151    3.0045    0.0000 C   0  0
    6.5184    3.7471    0.0000 C   0  0
    7.8131    2.9897    0.0000 C   0  0
    3.9212    3.7650    0.0000 O   0  0
    3.9319    5.2650    0.0000 C   0  0
   10.3857   -6.0165    0.0000 C   0  0
    5.1896   -6.0130    0.0000 O   0  0
    2.6031   -1.4991    0.0000 O   0  0
   -0.0030   -2.9851    0.0000 O   0  0
   -0.0191   -5.9851    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
  9  8  1  1
  9 10  1  0
 10 11  1  0
 11 12  1  6
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15  9  1  0
 15 16  1  6
 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 17  1  0
 22 23  2  0
 21 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 20  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  3
 30 31  1  0
 30 32  1  0
 26 33  1  0
 34 33  1  1
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 34  1  0
 38 40  1  1
 40 41  1  0
 37 42  1  6
 36 43  1  1
 35 44  1  6
 24 45  1  0
 18 46  1  0
 46 47  2  0
 47 48  1  0
 48 49  2  0
 49 50  1  0
 50 51  2  0
 51 46  1  0
 49 52  1  0
 52 53  1  0
 13 54  1  1
 10 55  1  1
  5 56  1  1
  4 57  1  1
  3 58  1  6
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25380

> <plate>
PLATE 004

> <well>
B3

> <supplier_cmpd_name>
Epimedin C

> <ctcr_id>
11908

> <supplier_cmpd_id>
T3397

> <smiles>
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]1[C@@H]([C@@H](O)[C@@H](O[C@H]1Oc1c(oc2c(c1=O)c(cc(c2CC=C(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)c1ccc(cc1)OC)C)O)O)O)O

> <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>
{"Epimedin C","Epmedin C",110642-44-9,110642449,"Baohuoside VI",C39H50O19,Epimedin-C,EpimedinC,"Baohuoside VI;","Epimedin C;",SCHEMBL2230230,DTXSID90149351,HY-N0260,HYN0260,MFCD04039820,s9269,AKOS0329
62020,ZINC169721173,CCG-270510,CCG270510,CS-3678,CS3678,AS-56072,AS56072,X1133,642E449,Q-100062,Q100062,T3397}

> <pdid>
PD056601

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{5748394}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25381

> <plate>
PLATE 004

> <well>
B4

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25382

> <plate>
PLATE 004

> <well>
B5

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 29 33  0  0  0  0            999 V2000
    7.7743   -8.0823    0.0000 C   0  0
    6.4765   -7.3301    0.0000 C   0  0
    7.5425   -6.2749    0.0000 C   0  0
    6.4870   -5.2605    0.0000 N   0  0
    5.4212   -6.2641    0.0000 C   0  0
    6.4915   -3.7597    0.0000 C   0  0
    7.7931   -3.0140    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
   -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 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5496   -4.4224    0.0000 N   0  0
   -1.7973   -5.7210    0.0000 C   0  0
   -0.2973   -5.7184    0.0000 O   0  0
   -2.5450   -7.0224    0.0000 C   0  0
   -2.4994   -8.4432    0.0000 C   0  0
   -3.7984   -7.6931    0.0000 C   0  0
    5.1713   -8.0693    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  2  1  0
  4  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  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  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 14  1  0
 22 18  1  0
 20 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 26  1  0
  2 29  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25383

> <plate>
PLATE 004

> <well>
B6

> <supplier_cmpd_name>
Solcitinib

> <ctcr_id>
11534

> <supplier_cmpd_id>
T3620

> <smiles>
CC1(CN(C1)C(=O)c1ccc(cc1)c1cccc2nc(nn12)NC(=O)C1CC1)C

> <pd_targets>
{JAK3,JAK1,TYK2,JAK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase JakA family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Cytokine Signaling in Immune system",Mitotic,"Signaling by Interleukins","Interferon Signaling","Mitotic G1 phase and G1/S transition","Interleukin-2 family signaling","
Antiviral mechanism by IFN-stimulated genes","Interferon alpha/beta signaling","G1 Phase","Interleukin-15 signaling","ISG15 antiviral mechanism","Regulation of IFNA signaling","Cyclin D associated eve
nts in G1"}

> <broad_targets>
{JAK1}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{Solcitinib,1206163-45-2,1206163452,GLPG-0778,GLPG0778,UNII-3V7GQ1260K,UNII3V7GQ1260K,GSK2586184A,3V7GQ1260K,G154578,Solicitinib,GSK2586184,GSK-2586184,"GLPG 0778","Solcitinib (USAN:INN)","GSK 2586184
",GSK-2586184A,SolcitinibGLPG0778,"Solcitinib (USAN/INN)",GLPG-0778;Sol,GLPG0778;Sol,T3620}

> <pdid>
PD012396

> <targets>
{JAK1,JAK}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,JAK/STAT signaling,Stem Cells,Epigenetics,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{44603362}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 64 71  0  0  1  0            999 V2000
    1.0876  -10.4771    0.0000 C   0  0  2  0  0  0
   -0.2857   -9.8735    0.0000 O   0  0
   -1.4950  -10.7610    0.0000 C   0  0  1  0  0  0
   -1.3311  -12.2520    0.0000 C   0  0  2  0  0  0
    0.0421  -12.8556    0.0000 C   0  0  1  0  0  0
    1.2514  -11.9681    0.0000 C   0  0  1  0  0  0
    2.6246  -12.5717    0.0000 O   0  0
    0.2060  -14.3466    0.0000 O   0  0
   -2.5404  -13.1395    0.0000 O   0  0
   -2.8677  -10.1543    0.0000 C   0  0
   -3.0295   -8.6630    0.0000 O   0  0
    2.2958   -9.5867    0.0000 O   0  0
    2.1297   -8.0950    0.0000 C   0  0
    3.3379   -7.2046    0.0000 C   0  0  2  0  0  0
    3.1718   -5.7130    0.0000 C   0  0
    4.3799   -4.8226    0.0000 C   0  0
    4.2387   -3.3419    0.0000 C   0  0
    3.9174   -1.8767    0.0000 C   0  0  2  0  0  0
    2.4266   -1.7302    0.0000 C   0  0  2  0  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
   -2.5981    1.5000    0.0000 C   0  0  1  0  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  1  0  0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0  1  0  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  0  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  0  0  0
    2.9445   -4.1002    0.0000 O   0  0
   -6.4944    3.7530    0.0000 O   0  0
   -6.4923    5.2539    0.0000 C   0  0  2  0  0  0
   -5.1906    5.9995    0.0000 O   0  0
   -5.1855    7.4995    0.0000 C   0  0  1  0  0  0
   -6.4819    8.2539    0.0000 C   0  0  1  0  0  0
   -7.7835    7.5084    0.0000 C   0  0  1  0  0  0
   -7.7887    6.0084    0.0000 C   0  0  1  0  0  0
   -9.0926    5.2652    0.0000 O   0  0
  -10.3887    6.0220    0.0000 C   0  0  1  0  0  0
  -11.6929    5.2811    0.0000 C   0  0  1  0  0  0
  -12.9867    6.0401    0.0000 C   0  0  2  0  0  0
  -12.9763    7.5401    0.0000 C   0  0  1  0  0  0
  -11.6721    8.2810    0.0000 C   0  0  2  0  0  0
  -10.3783    7.5220    0.0000 O   0  0
  -11.6648    9.7818    0.0000 C   0  0
  -12.9597   10.5390    0.0000 O   0  0
  -14.2701    8.2991    0.0000 O   0  0
  -14.2910    5.2991    0.0000 O   0  0
  -11.7034    3.7811    0.0000 O   0  0
   -9.0800    8.2629    0.0000 O   0  0
   -6.4768    9.7539    0.0000 O   0  0
   -3.8816    8.2427    0.0000 C   0  0
   -2.5862    7.4864    0.0000 O   0  0
   -1.2991    2.2500    0.0000 C   0  0
    2.6640   -0.1280    0.0000 C   0  0
    4.9138   -0.7554    0.0000 C   0  0
    5.4323   -2.4334    0.0000 O   0  0
    4.7121   -7.8059    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  6
  5  8  1  1
  4  9  1  6
  3 10  1  1
 10 11  1  0
  1 12  1  1
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 19 18  1  1
 19 20  1  0
 20 21  1  0
 21 22  1  0
 23 22  1  1
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 29 28  1  6
 29 24  1  0
 29 30  1  0
 30 31  1  0
 32 31  1  6
 32 23  1  0
 32 33  1  0
 33 20  1  0
 33 34  1  1
 35 34  1  1
 35 19  1  0
 35 36  1  0
 36 17  1  0
 27 37  1  1
 38 37  1  1
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 38  1  0
 43 44  1  6
 45 44  1  1
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 45  1  0
 49 51  1  1
 51 52  1  0
 48 53  1  6
 47 54  1  1
 46 55  1  6
 42 56  1  1
 41 57  1  1
 40 58  1  1
 58 59  1  0
 24 60  1  1
 20 61  1  1
 18 62  1  6
 17 63  1  0
 14 64  1  6
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25384

> <plate>
PLATE 004

> <well>
B7

> <supplier_cmpd_name>
Timosaponin BII

> <ctcr_id>
11909

> <supplier_cmpd_id>
T3394

> <smiles>
[C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)OC[C@H](CCC1([C@H]([C@@H]2[C@]3(CC[C@@H]4[C@]5(CC[C@@H](C[C@H]5CC[C@H]4[C@@H]3C[C@@H]2O1)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H]
(O1)CO)O)O)O)O)O)CO)C)C)C)O)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Timosaponin Bii","Timosaponin B II",136656-07-0,136656070,TimosaponinBII,"Prototimosaponin AIII",CHEMBL454275,HMS3887C11,C45H76O19,s9273,AKOS037514868,CCG-270574,CCG270574,X1243,656T070,Q-100140,Q10
0140,T3394,T4396,"Timosaponin BII","Officinalisinin I"}

> <pdid>
PD056596

> <targets>
{BACE1,A¦Â,¦Â-CTF}

> <classes>
{Neuroscience,Others}

> <pubchem_cids>
{44575945}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 55 60  0  0  1  0            999 V2000
    2.5901    3.0041    0.0000 C   0  0  1  0  0  0
    3.8892    3.7541    0.0000 C   0  0  1  0  0  0
    3.8893    5.2541    0.0000 C   0  0  2  0  0  0
    2.5903    6.0042    0.0000 C   0  0  1  0  0  0
    1.2912    5.2542    0.0000 C   0  0  2  0  0  0
    1.2911    3.7542    0.0000 O   0  0
   -0.0070    6.0073    0.0000 C   0  0
   -0.0048    7.5073    0.0000 O   0  0
    2.5903    7.5042    0.0000 O   0  0
    5.1883    6.0041    0.0000 O   0  0
    4.7552    3.2541    0.0000 O   0  0
    2.5931    1.5032    0.0000 O   0  0
    3.8939    0.7546    0.0000 C   0  0  1  0  0  0
    3.8990   -0.7455    0.0000 C   0  0  1  0  0  0
    5.2007   -1.4909    0.0000 O   0  0
    6.4972   -0.7364    0.0000 C   0  0  1  0  0  0
    6.4920    0.7636    0.0000 C   0  0  2  0  0  0
    5.1903    1.5091    0.0000 C   0  0  2  0  0  0
    5.1869    2.5091    0.0000 O   0  0
    7.7884    1.5181    0.0000 O   0  0
    7.7980   -1.4850    0.0000 C   0  0
    7.8010   -2.9850    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
   -1.2990    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
   -1.3164   -2.2191    0.0000 C   0  0
    1.3163   -2.2193    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  1  0  0  0
   -5.1962    1.5000    0.0000 C   0  0  2  0  0  0
   -6.6088    1.0136    0.0000 C   0  0
   -7.4983    2.2214    0.0000 C   0  0
   -6.6244    3.4406    0.0000 C   0  0  1  0  0  0
   -5.1962    3.0000    0.0000 C   0  0  1  0  0  0
   -3.8971    3.7500    0.0000 C   0  0  1  0  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    5.2500    0.0000 O   0  0
   -7.1015    4.8609    0.0000 C   0  0  2  0  0  0
   -6.1085    5.9852    0.0000 C   0  0
   -8.5723    5.1594    0.0000 C   0  0
   -9.0502    6.5821    0.0000 C   0  0
  -10.5211    6.8805    0.0000 C   0  0
  -10.9989    8.3032    0.0000 C   0  0
  -12.4690    8.6015    0.0000 C   0  0
  -10.0060    9.4275    0.0000 C   0  0
   -7.5784    6.2831    0.0000 O   0  0
   -5.2920    0.5046    0.0000 C   0  0
   -4.7631    0.2500    0.0000 C   0  0
   -1.2990    2.2500    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  6
  7  8  1  0
  4  9  1  1
  3 10  1  6
  2 11  1  1
  1 12  1  6
 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  1
 17 20  1  6
 16 21  1  1
 21 22  1  0
 14 23  1  1
 24 23  1  6
 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  1  0
 29 31  1  0
 28 32  1  6
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 38 37  1  6
 39 38  1  1
 39 35  1  0
 39 40  1  0
 40 41  1  0
 42 41  1  6
 42 27  1  0
 42 34  1  0
 40 43  1  6
 38 44  1  0
 44 45  1  1
 44 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  2  3
 49 50  1  0
 49 51  1  0
 44 52  1  0
 35 53  1  1
 34 54  1  6
 27 55  1  6
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25385

> <plate>
PLATE 004

> <well>
B8

> <supplier_cmpd_name>
Ginsenoside Rg3

> <ctcr_id>
11535

> <supplier_cmpd_id>
T3402

> <smiles>
[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@]1([C@@]3(CC[C@@H]([C@H]3[C@@H](C[C@H]21)O)[C@](C)(CCC=C(C)C)O)C)C)C

> <pd_targets>
{KCNH2}

> <pathway_gtopdb>
{"Ion channel","Voltage-gated ion channel","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"}

> <broad_targets>
{KCNH2}

> <broad_moa>
{"angiogenesis inhibitor","apoptosis stimulant"}

> <synonyms>
{C20778,197G605,"Ginsenoside Rg3",14197-60-5,14197605,"(20S)-ginsenoside Rg3","(20S)ginsenoside Rg3",(20S)-Propanaxadiol,(20S)Propanaxadiol,20S-propanaxadiol,20Spropanaxadiol,"20(S)-Ginsenoside Rg3","
20(S)Ginsenoside Rg3",20(S)-Propanaxidiol,20(S)Propanaxidiol,UNII-227D367Y57,UNII227D367Y57,CHEMBL398412,CHEBI:67991,MFCD06410950,227D367Y57,20(S)-Ginsenoside-Rg3,20(S)GinsenosideRg3,T3402,T3812,20(R)
-Propanaxadiol}

> <pdid>
PD011952

> <targets>
{EGFR,Amyloid-²,COX,Endogenous Metabolite,NF-ºB,Potassium Channel,Sodium Channel}

> <classes>
{Angiogenesis,JAK/STAT signaling,Tyrosine Kinase/Adaptors,Immunology/Inflammation,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease,Neuronal Signaling,NF-ºB}

> <pubchem_cids>
{9918693}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 39 43  0  0  1  0            999 V2000
    9.2971    4.6579    0.0000 C   0  0
    8.0391    3.8409    0.0000 O   0  0
    8.1168    2.3421    0.0000 C   0  0
    9.4532    1.6608    0.0000 O   0  0
    6.8582    1.5246    0.0000 C   0  0
    6.9359    0.0258    0.0000 C   0  0  2  0  0  0
    5.5999    0.7078    0.0000 O   0  0
    8.2730   -0.6559    0.0000 C   0  0
    9.5324    0.1605    0.0000 C   0  0
   10.8695   -0.5212    0.0000 C   0  0
   12.1289    0.2951    0.0000 C   0  0
   13.3872    1.1116    0.0000 C   0  0
   12.0512    1.7931    0.0000 C   0  0
   13.4653   -0.3862    0.0000 O   0  0
    5.6765   -0.7905    0.0000 C   0  0
    5.7542   -2.2885    0.0000 O   0  0
    4.3394   -0.1088    0.0000 O   0  0
    3.0821   -0.9238    0.0000 C   0  0  1  0  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 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    3.5155    4.5031    0.0000 O   0  0
    2.8046    5.8240    0.0000 C   0  0
    1.3287    5.5562    0.0000 O   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 N   0  0
   -1.2172   -2.9891    0.0000 C   0  0
   -0.0039   -3.8711    0.0000 C   0  0
    1.2099   -2.9897    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0  2  0  0  0
    1.5613   -2.8152    0.0000 C   0  0
    3.0088   -2.4220    0.0000 C   0  0
    4.1745   -3.3632    0.0000 O   0  0
    3.9429   -4.8452    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  1
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
  6 15  1  0
 15 16  2  0
 15 17  1  0
 18 17  1  6
 18 19  1  0
 19 20  1  6
 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 22  2  0
 26 27  1  0
 27 28  2  0
 28 20  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
 35 34  1  1
 35 19  1  0
 35 31  1  0
 35 36  1  0
 36 37  2  3
 37 18  1  0
 37 38  1  0
 38 39  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25386

> <plate>
PLATE 004

> <well>
B9

> <supplier_cmpd_name>
Homoharringtonine

> <ctcr_id>
4036

> <supplier_cmpd_id>
T3380

> <smiles>
COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN5CCC[C@]25C=C1OC

> <pd_targets>
{RPL3,HTT,RORC,LEF,CYP3A4}

> <pathway_gtopdb>
{"Unclassified protein","Transcription factor",Enzyme,"Nuclear receptor",Protease,"Cytochrome P450","Nuclear hormone receptor subfamily 1","Metallo protease","Cytochrome P450 family 3","Nuclear hormon
e receptor subfamily 1 group F","Metallo protease MAE clan","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F member 3","Metallo protease M34 family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Cytochrome P450","1F. Retinoic acid-related orphans","CYP3 family"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","Signaling by ROBO receptors","Regulation of expression of SLITs and ROBOs","Gene expression (Transcription)",Disease,Metabolism,"
RNA Polymerase II Transcription","Infectious disease","Metabolism of lipids","Generic Transcription Pathway","Uptake and actions of bacterial toxins","Biosynthesis of specialized proresolving mediator
s (SPMs)","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPMs","Regulation of MECP2 expression and act
ivity","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{RPL3}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{homoharringtonine,"Omacetaxine mepesuccinate",Synribo,26833-87-4,26833874,Ceflatonin,Myelostat,CGX-635,CGX635,(-)-homoharringtonine,()homoharringtonine,Omapro,NSC-141633,NSC141633,UNII-6FG8041S5B,UNI
I6FG8041S5B,CHEBI:71019,C29H39NO9,"(2'R,3S,4S,5R)-(-)-homoharringtonine","(2'R,3S,4S,5R)()homoharringtonine",6FG8041S5B,NSC,T3380,758253,1416,SAM001246822,Homoharringtonine,CPD000469230}

> <pdid>
PD003333

> <targets>
{STAT3,STAT}

> <classes>
{Protein synthesis inhibitor,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{285033}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 34 37  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
   -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
   -6.5517    0.8722    0.0000 O   0  0
   -7.5554    1.9869    0.0000 C   0  0
   -6.8054    3.2859    0.0000 C   0  0
   -7.4120    4.6559    0.0000 C   0  0
   -6.5281    5.8688    0.0000 O   0  0
   -7.1357    7.2412    0.0000 C   0  0
   -6.2540    8.4547    0.0000 C   0  0
   -6.8641    9.8251    0.0000 C   0  0
   -8.3559    9.9819    0.0000 C   0  0
   -8.9691   11.3517    0.0000 C   0  0
  -10.4619   11.5065    0.0000 C   0  0
  -11.0751   12.8764    0.0000 C   0  0
  -12.5680   13.0312    0.0000 C   0  0
  -13.1812   14.4010    0.0000 N   0  0
  -14.6395   14.6930    0.0000 C   0  0
  -14.7962   16.1847    0.0000 C   0  0
  -13.4259   16.7948    0.0000 N   0  0
  -12.4222   15.6801    0.0000 N   0  0
   -9.2376    8.7684    0.0000 C   0  0
   -8.6275    7.3981    0.0000 C   0  0
   -5.3382    2.9741    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
  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 11  1  0
 11 12  1  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  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 25  1  0
 20 30  1  0
 30 31  2  0
 31 17  1  0
 14 32  1  0
 32 11  2  0
  8 33  1  0
 33 34  2  0
 34  5  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25387

> <plate>
PLATE 004

> <well>
B10

> <supplier_cmpd_name>
Mubritinib

> <ctcr_id>
7188

> <supplier_cmpd_id>
T6124

> <smiles>
FC(F)(F)c1ccc(\C=C\c2occ(COc3ccc(CCCCn4ccnn4)cc3)n2)cc1

> <pd_targets>
{ERBB2,EGFR}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase EGFR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction","Nervous system development","Signaling by GPCR","Axon guidance","GPCR downstream signalling","Semaphorin interactions","G alpha (q) signalling events","
Sema4D in semaphorin signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by Gastrin"}

> <broad_targets>
{EGFR,ERBB2}

> <broad_moa>
{"protein tyrosine kinase inhibitor"}

> <synonyms>
{Mubritinib,366017-09-6,366017096,"Mubritinib (TAK 165)","TAK 165",TAK-165,TAK165,UNII-V734AZP9BR,UNIIV734AZP9BR,V734AZP9BR,C25H23F3N4O2,"Mubritinib (USAN/INN)","Mubritinib (USAN:INN)","Mubritinib; TA
K-165","Mubritinib; TAK165","Mubritinib - TAK 165","Mubritinib  TAK 165",SCHEMBL94943,cc-594,cc594,MLS00601,T6124,SY-Mubritinib,S2216,"Mubritinib   (TAK-165)"}

> <pdid>
PD010822

> <targets>
{HER2,EGFR}

> <classes>
{JAK/STAT Signaling,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{6444692}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 25  0  0  0  0            999 V2000
    7.5955    2.7333    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    4.2568    0.5878    0.0000 C   0  0
    5.7171    0.9385    0.0000 N   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 N   0  0
    2.7343   -2.9815    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
   -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 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  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  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 16  1  0
 21 22  2  0
 22 13  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25388

> <plate>
PLATE 004

> <well>
B11

> <supplier_cmpd_name>
RepSox

> <ctcr_id>
5419

> <supplier_cmpd_id>
T6337

> <smiles>
Cc1cccc(n1)c2n[nH]cc2c3ccc4ncccc4n3

> <pd_targets>
{TGFBR1,ABL1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","TK protein kinase group","TKL protein kinase STKR family","Tyrosine protein kinase Abl family","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","Receptor serine/threonine kinase (RSTK) family","Non-receptor tyrosine kinases (nRTKs)","Type I r
eceptor serine/threonine kinases","Abl family"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Infectious disease","Signaling by TGF-beta Receptor Complex in Cancer","Leishmania infection","Loss of Func
tion of SMAD2/3 in Cancer","Parasite infection","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Leishmania phagocytosis","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{TGFBR1}

> <broad_moa>
{"TGF beta receptor inhibitor"}

> <synonyms>
{EX-A2879,EXA2879,Tox21_500541,Tox21500541,Tox21-500541,"Tox21 500541",ABP000974,BDBM50151347,RepSox,446859-33-2,446859332,"ALK5 Inhibitor II","2-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthy
ridine","2(3(6Methylpyridin2yl)1Hpyrazol4yl)1,5naphthyridine","SJN 2511","ALK5 Inhibitor",E-616452,E616452,GW786460X,2-(5-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,2(5(6methylpyridin2yl)1Hpyrazol4yl)1
,5-nap,5nap,S7223}

> <pdid>
PD003735

> <targets>
{TGF-beta/Smad}

> <classes>
{TGF-beta/Smad}

> <pubchem_cids>
{449054}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 27 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
   -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
   -2.6011   -3.0008    0.0000 N   0  0
   -3.9020   -3.7494    0.0000 C   0  0
   -3.9050   -5.2502    0.0000 C   0  0
   -5.2059   -5.9988    0.0000 C   0  0
   -5.2111   -7.4988    0.0000 C   0  0
   -6.5128   -8.2443    0.0000 C   0  0
   -7.8092   -7.4898    0.0000 C   0  0
   -9.1131   -8.2331    0.0000 O   0  0
  -10.4091   -7.4763    0.0000 C   0  0
  -11.7134   -8.2173    0.0000 C   0  0
  -13.0072   -7.4583    0.0000 C   0  0
  -12.9969   -5.9584    0.0000 C   0  0
  -11.6927   -5.2174    0.0000 C   0  0
  -10.3989   -5.9763    0.0000 C   0  0
   -7.8040   -5.9899    0.0000 C   0  0
   -6.5024   -5.2443    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  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
 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
  9 26  1  0
 26  5  1  0
 26 27  2  0
 27  2  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25389

> <plate>
PLATE 004

> <well>
C2

> <supplier_cmpd_name>
QNZ

> <ctcr_id>
3604

> <supplier_cmpd_id>
T6204

> <smiles>
Nc1ccc2ncnc(NCCc3ccc(Oc4ccccc4)cc3)c2c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"NFkB pathway inhibitor"}

> <synonyms>
{545380-34-5,545380345,QNZ,EVP4593,6-Amino-4-(4-phenoxyphenylethylamino)quinazoline,6Amino4(4phenoxyphenylethylamino)quinazoline,"QNZ (EVP4593)","N4-(4-phenoxyphenethyl)quinazoline-4,6-diamine","N4(4p
henoxyphenethyl)quinazoline4,6diamine","NF-kB activation inhibitor","NFkB activation inhibitor",EVP-4593,"4-N-(2-(4-phenoxyphenyl)ethyl)quinazoline-4,6-diamine","4N(2(4phenoxyphenyl)ethyl)quinazoline4
,6diamine",N4-(2-(4-phenoxyph,N4(2(4phenoxyph,T6204,"EMD 481406",S4902,481406}

> <pdid>
PD010665

> <targets>
{NF-??B}

> <classes>
{}

> <pubchem_cids>
{509554}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25390

> <plate>
PLATE 004

> <well>
C3

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25391

> <plate>
PLATE 004

> <well>
C4

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 28 31  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
    2.5993    0.0004    0.0000 O   0  0
   15.0867   -2.1655    0.0000 O   0  0
   15.0841   -0.6655    0.0000 C   0  0
   16.3820    0.0864    0.0000 O   0  0
   13.7828    0.0822    0.0000 C   0  0
   13.7828    1.5823    0.0000 C   0  0
   12.4837    2.3322    0.0000 C   0  0
   11.1847    1.5822    0.0000 C   0  0
    9.8856    2.3322    0.0000 C   0  0
    9.5742    3.7987    0.0000 N   0  0
    8.0824    3.9555    0.0000 C   0  0
    7.2018    5.1685    0.0000 C   0  0
    5.7101    5.0117    0.0000 C   0  0
    5.1000    3.6414    0.0000 C   0  0
    5.9817    2.4279    0.0000 C   0  0
    7.4723    2.5852    0.0000 C   0  0
    8.5866    1.5822    0.0000 N   0  0
    8.5866    0.0822    0.0000 C   0  0
    7.2876   -0.6678    0.0000 O   0  0
    9.8857   -0.6678    0.0000 C   0  0
    9.8857   -2.1678    0.0000 C   0  0
   11.1847   -2.9178    0.0000 C   0  0
   12.4837   -2.1678    0.0000 C   0  0
   12.4837   -0.6678    0.0000 C   0  0
   11.1847    0.0822    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  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  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
 19 20  1  0
 20 12  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  8  1  0
 27 28  2  0
 28 11  1  0
 28 23  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25392

> <plate>
PLATE 004

> <well>
C5

> <supplier_cmpd_name>
STO-609 acetate

> <ctcr_id>
5342

> <supplier_cmpd_id>
T3650

> <smiles>
CC(O)=O.OC(=O)c1ccc2c3nc4ccccc4n3C(=O)c5cccc1c25

> <pd_targets>
{CAMKK2,KMT2A,MEN1,CASP7,RORC,LEF,CYP2D6,DYRK2,MKNK1,PIM3,CAMKK1,CYP2C19,CYP2C9,CYP1A2,MYLK,MAPT,PIM2,CASP1,CSNK2A1,CSNK2A2,CSNK2B}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor","Other cytosolic protein",Kinase,Reader,Protease,"Nuclear receptor","Cytochrome P450","Protein Kinase",Bromodomain,"Cysteine protease","Nuclear ho
rmone receptor subfamily 1","Metallo protease","Cytochrome P450 family 2","Cytochrome P450 family 1","Other protein kinase group","Cysteine protease CD clan","Nuclear hormone receptor subfamily 1 grou
p F","Metallo protease MAE clan","Cytochrome P450 family 2D","CMGC protein kinase group","CAMK protein kinase group","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Other protein kinase CAMKK
 family","Cysteine protease C14 family","Nuclear hormone receptor subfamily 1 group F member 3","Metallo protease M34 family","Cytochrome P450 2D6","CMGC protein kinase DYRK family","CAMK protein kina
se MAPKAPK family","CAMK protein kinase PIM family","Cytochrome P450 2C19","Cytochrome P450 2C9","Cytochrome P450 1A1","CAMK protein kinase MLCK family","Other protein kinase CK2 family","Other protei
n kinase Meta subfamily","CMGC protein kinase Dyrk2 subfamily","CAMK protein kinase MNK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Peptidases and proteinases","Nuclear hormone receptors","Cytochrome P450","Kinases (EC 2.7.x.x)","Receptor kinases","CD: Cysteine (C) Peptidases","1F. Retinoi
c acid-related orphans","CYP2 family: drug metabolising subset","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","CYP1 family","Other protein kinase
s","C14: Caspase","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","MAPK-Activated Protein Kinase (MAPKAPK) family","PIM family","Myosin Light Chain Kinase (MLCK) family"
,"CAMKK family","Dyrk2 subfamily","MKN subfamily","Meta subfamily"}

> <pathway_reactome>
{"Neuronal System","Programmed Cell Death","Gene expression (Transcription)",Disease,Metabolism,"Signal Transduction","Transmission across Chemical Synapses",Apoptosis,"RNA Polymerase II Transcription
","Infectious disease","Biological oxidations","Signaling by Receptor Tyrosine Kinases","Signaling by Rho GTPases","Neurotransmitter receptors and postsynaptic signal transmission","Intrinsic Pathway 
for Apoptosis","Generic Transcription Pathway","Uptake and actions of bacterial toxins","Phase I - Functionalization of compounds","Signaling by FGFR","RHO GTPase Effectors","Activation of NMDA recept
ors and postsynaptic events","Apoptotic factor-mediated response","Transcriptional regulation by RUNX3","Uptake and function of anthrax toxins","Cytochrome P450 - arranged by substrate type","Transcri
ptional Regulation by TP53","Signaling by FGFR4","RHO GTPases activate PAKs","Post NMDA receptor activation events","Cytochrome c-mediated apoptotic response","RUNX3 Regulates Immune Response and Cell
 Migration",Xenobiotics,"Regulation of TP53 Activity","Negative regulation of FGFR4 signaling","TP53 Regulates Transcription of Cell Death Genes","Activation of AMPK downstream of NMDARs","Activation 
of caspases through apoptosome-mediated cleavage","CYP2E1 reactions","Regulation of TP53 Activity through Phosphorylation","Spry regulation of FGF signaling","Activation of RAC1 downstream of NMDARs",
"Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","TP53 Regulates Transcription of Caspase Activators and Caspases"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"TO609 ACETAT","STO-609 acetate","STO609 acetate",1173022-21-3,1173022213,"7-oxo-7H-benzimidazo(2,1-a)benz(de)isoquinoline-3-carboxylic acid acetate","7oxo7Hbenzimidazo(2,1a)benz(de)isoquinoline3carb
oxylic acid acetate",CHEMBL265470,"1173022-21-3 (acetate)","1173022213 (acetate)",MFCD06411456,"STO-609-acetic acid","STO609acetic acid","STO-609 (acetate)","STO609 (acetate)",SCHEMBL12479577,AOB6,T35
46,T3650,"EMD 570250",STO-609,570250}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{16760660}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 35 38  0  0  0  0            999 V2000
    2.2480   -8.7524    0.0000 C   0  0
    3.1336   -7.5417    0.0000 N   0  0
    2.6748   -6.1136    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1011   -6.1214    0.0000 C   0  0
    4.6328   -7.5465    0.0000 C   0  0
    5.6328   -8.6645    0.0000 N   0  0
    7.1011   -8.3575    0.0000 C   0  0
    7.5693   -6.9325    0.0000 C   0  0
    6.5693   -5.8144    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 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
   -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
    1.2519   -5.6367    0.0000 C   0  0
    0.8402   -4.1997    0.0000 C   0  0
   -0.6154   -3.8375    0.0000 C   0  0
   -1.6570   -4.9169    0.0000 C   0  0
   -1.2429   -6.3586    0.0000 C   0  0
    0.2127   -6.7209    0.0000 C   0  0
   10.0693   -2.8746    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  2  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  4 11  1  0
 11 12  2  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  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 15  1  0
 21 25  1  0
 25 26  1  0
 20 27  1  0
 27 28  1  0
  3 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
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25393

> <plate>
PLATE 004

> <well>
C6

> <supplier_cmpd_name>
SIS3

> <ctcr_id>
11678

> <supplier_cmpd_id>
T3636

> <smiles>
Cn1c(c(c2c1nccc2)/C=C/C(=O)N1CCc2cc(c(cc2C1)OC)OC)c1ccccc1.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{SMAD3,TGFBR1}

> <broad_moa>
{"serine/threonine kinase inhibitor"}

> <synonyms>
{SIS3,521984-48-5,521984485,"Sis3 HCl",MFCD09265258,"SIS3 hydrochloride",SIS-3,"Specific Inhibitor of Smad3",Caneritinib,SIS3(HCl),SCHEMBL6488320,SCHEMBL6488325,CANERITINIB(CI-1033),CANERITINIB(CI1033
),CHEBI:87461,AOB5022,BCP19304,EX-A1151,EXA1151,s7959,AKOS025147342,">=98 (HPLC)",p,T3636}

> <pdid>
PD018222

> <targets>
{Smad3}

> <classes>
{"Stem Cells"}

> <pubchem_cids>
{16079005}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 33 35  0  0  0  0            999 V2000
    6.0788   -1.3780    0.0000 C   0  0
    5.6342    0.0546    0.0000 C   0  0
    6.6534    1.1562    0.0000 N   0  0
    8.1173    0.8252    0.0000 C   0  0
    8.5619   -0.6073    0.0000 O   0  0
    9.1366    1.9269    0.0000 C   0  0
   10.6004    1.5959    0.0000 C   0  0
   11.6197    2.6975    0.0000 C   0  0
   13.0828    2.3667    0.0000 F   0  0
   11.1751    4.1301    0.0000 F   0  0
   12.6379    3.7990    0.0000 F   0  0
    4.1703    0.3856    0.0000 C   0  0
    3.7257    1.8182    0.0000 O   0  0
    3.1510   -0.7161    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5242    2.0130    0.0000 O   0  0
    0.0000    1.7286    0.0000 N   0  0
    0.0030    3.2314    0.0000 C   0  0
    1.3039    3.9799    0.0000 C   0  0
    1.3069    5.4799    0.0000 O   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.4523    2.0983    0.0000 N   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 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  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  1  0
  8 11  1  0
  2 12  1  0
 12 13  2  0
 12 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
 18 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  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 15  1  0
 33 28  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25394

> <plate>
PLATE 004

> <well>
C7

> <supplier_cmpd_name>
Crenigacestat

> <ctcr_id>
6188

> <supplier_cmpd_id>
T3633

> <smiles>
CC(NC(=O)CCC(F)(F)F)C(=O)NC1C(=O)N(CCO)c2ncccc2c3ccccc13

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"notch signaling inhibitor"}

> <synonyms>
{SCHEMBL22694921,AK171364,FT-0699353,FT0699353,T3633,S7169,Crenigacestat,LY3039478}

> <pdid>
PD056674

> <targets>
{Gamma-secretase,Notch,³-secretase}

> <classes>
{Neuronal Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{78044267}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 27 29  0  0  0  0            999 V2000
   11.6905    0.7825    0.0000 C   0  0
   10.3875    1.5257    0.0000 C   0  0
   10.3802    3.0257    0.0000 O   0  0
    9.0919    0.7681    0.0000 C   0  0
    9.0971   -0.7319    0.0000 C   0  0
    7.8007   -1.4864    0.0000 C   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
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6015   -2.9986    0.0000 C   0  0
    3.9027   -3.7449    0.0000 N   0  0
    3.9070   -5.2449    0.0000 C   0  0
    2.6101   -5.9986    0.0000 C   0  0
    1.3089   -5.2523    0.0000 C   0  0
    0.0120   -6.0060    0.0000 C   0  0
   -1.2892   -5.2597    0.0000 C   0  0
   -1.2934   -3.7597    0.0000 C   0  0
    0.0035   -3.0060    0.0000 C   0  0
    1.3046   -3.7523    0.0000 C   0  0
    5.1857   -4.4608    0.0000 C   0  0
    3.8760   -6.7445    0.0000 C   0  0
    1.3013   -0.7461    0.0000 C   0  0
    1.3018    0.7539    0.0000 O   0  0
    0.0018   -1.4953    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
  7 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 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
 15 23  1  0
 15 24  1  0
 12 25  1  0
 25 26  2  0
 25 27  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25395

> <plate>
PLATE 004

> <well>
C8

> <supplier_cmpd_name>
IQ-1

> <ctcr_id>
11679

> <supplier_cmpd_id>
T3635

> <smiles>
CC(=O)c1ccc(cc1)N/N=C(\C1=NC(Cc2ccccc12)(C)C)/C(=O)N

> <pd_targets>
{RORC,SMN1,MAPT,HTT,LMNA,MAPK1,DYRK1A}

> <pathway_gtopdb>
{"Transcription factor","Epigenetic regulator","Other cytosolic protein","Unclassified protein","Other nuclear protein",Enzyme,"Nuclear receptor",Reader,Kinase,"Nuclear hormone receptor subfamily 1","
Methyl-lysine/arginine binding protein","Protein Kinase","Nuclear hormone receptor subfamily 1 group F","Tudor domain","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F member 
3","CMGC protein kinase MAPK family","CMGC protein kinase DYRK family","CMGC protein kinase ERK1","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinase
s)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","ERK subfamily","Dyrk1 subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of RNA","Neuronal System","Cell Cycle","Immune System","RNA Polymerase II Transcription","Metabolism of non-coding RNA","Transmission across Chemical Syn
apses",Mitotic,"Innate Immune System","Generic Transcription Pathway","snRNP Assembly","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","Toll-like Receptor Cascades","Mitoti
c G1 phase and G1/S transition","Transcriptional regulation by RUNX3","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation by MECP2","Mitotic Metaphase and Anaphase","Tol
l Like Receptor 5 (TLR5) Cascade","G0 and Early G1","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA receptor activation events","Regulation of MECP2 expression and activity","Mitotic A
naphase","MyD88 cascade initiated on plasma membrane","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","MAP kinase activation","Initiation of Nuclear Envelope (NE) Reformat
ion","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Q,IQ-1,IQ1,331001-62-8,331001628,CHEBI:125561,CCG-208080,CCG208080,AC-33055,AC33055,BS-16587,BS16587,T3635}

> <pdid>
PD056676

> <targets>
{Wnt}

> <classes>
{"Stem Cells"}

> <pubchem_cids>
{5721207}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 27 29  0  0  0  0            999 V2000
    7.7906   -3.0071    0.0000 N   0  0
    6.4915   -3.7571    0.0000 C   0  0
    6.4915   -5.2571    0.0000 N   0  0
    5.1924   -6.0070    0.0000 C   0  0
    5.1924   -7.5078    0.0000 C   0  0
    6.4902   -8.2600    0.0000 C   0  0
    6.4878   -9.7600    0.0000 C   0  0
    5.1875  -10.5079    0.0000 C   0  0
    3.8897   -9.7558    0.0000 C   0  0
    2.5872  -10.5015    0.0000 O   0  0
    1.2904   -9.7475    0.0000 C   0  0
    3.8921   -8.2558    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 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 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
    5.1925   -3.0070    0.0000 N   0  0
   10.2912   -4.5040    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  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  9 12  2  0
 12  5  1  0
  4 13  2  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  1  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
 24 25  2  0
 25 17  1  0
 14 26  2  0
 26  2  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25396

> <plate>
PLATE 004

> <well>
C9

> <supplier_cmpd_name>
Wnt agonist 1

> <ctcr_id>
11680

> <supplier_cmpd_id>
T3144

> <smiles>
Nc1nc(c2cccc(OC)c2)cc(NCc2ccc3OCOc3c2)n1.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"WNT agonist"}

> <synonyms>
{"Wnt agonist 1","AMBMP hydrochloride",2095432-75-8,2095432758,"BML-284 (hydrochloride)","BML284 (hydrochloride)","BML-284 HCl","BML284 HCl","BML 284",AMBMPHydrochloride,SCHEMBL19668265,853220-52-7(fr
ee-base),853220527(freebase),HY-19987A,HY19987A,s8178,AKOS030210984,CCG-268487,CCG268487,AK685828,BS-16568,BS16568,"CID 11210285",CS-0063,CS0063,T3144}

> <pdid>
PD015736

> <targets>
{Wnt}

> <classes>
{"Cytoskeletal Signaling","Stem Cells"}

> <pubchem_cids>
{122705993}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 21 23  0  0  0  0            999 V2000
    2.5800    0.0305    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    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
   -2.5981    1.5000    0.0000 C   0  0
   -2.6012    3.0008    0.0000 C   0  0
   -1.3035    3.7531    0.0000 O   0  0
   -3.9020    3.7494    0.0000 O   0  0
   -3.9051    5.2494    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
    1.2638   -2.2496    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  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 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  2  0
 15  5  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 14 20  1  0
  2 21  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25397

> <plate>
PLATE 004

> <well>
C10

> <supplier_cmpd_name>
Mollugin

> <ctcr_id>
11538

> <supplier_cmpd_id>
T3673

> <smiles>
CC1(C=Cc2c(O1)c1ccccc1c(c2C(=O)OC)O)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Mollugin,Rubimaillin,55481-88-4,55481884,"Methyl 6-hydroxy-2,2-dimethyl-2H-benzo(h)chromene-5-carboxylate","Methyl 6hydroxy2,2dimethyl2Hbenzo(h)chromene5carboxylate","methyl 6-hydroxy-2,2-dimethylben
zo(h)chromene-5-carboxylate","methyl 6hydroxy2,2dimethylbenzo(h)chromene5carboxylate","CCRIS 6432",Rubimailin,"Mollugin,(S)",CHEMBL446008,SCHEMBL2115949,ZINC7267,T3673}

> <pdid>
PD056706

> <targets>
{HER2,JAK2}

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

> <pubchem_cids>
{124219}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25398

> <plate>
PLATE 004

> <well>
C11

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 24 27  0  0  0  0            999 V2000
    4.5650    3.1911    0.0000 C   0  0
    5.8390    2.3993    0.0000 O   0  0
    3.1884    2.6409    0.0000 C   0  0
    2.2051    3.7579    0.0000 C   0  0
    2.9890    5.0368    0.0000 C   0  0
    2.4151    6.4227    0.0000 O   0  0
    4.4475    4.6864    0.0000 N   0  0
    0.7099    3.6291    0.0000 C   0  0
   -0.0297    2.3302    0.0000 C   0  0
   -1.5297    2.3222    0.0000 C   0  0
   -2.2866    3.6172    0.0000 C   0  0
   -1.5436    4.9202    0.0000 C   0  0
   -0.0436    4.9282    0.0000 C   0  0
   -2.2728    1.0192    0.0000 N   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 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.1882   -2.6401    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  1  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
 10 14  1  0
  3 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 15  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 17 24  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25399

> <plate>
PLATE 004

> <well>
D2

> <supplier_cmpd_name>
CP21R7

> <ctcr_id>
11911

> <supplier_cmpd_id>
T3684

> <smiles>
C1(=O)C(=C(C(=O)N1)c1cc(ccc1)N)c1cn(c2c1cccc2)C

> <pd_targets>
{PRKCB,PRKCG,GSK3B,PRKCA}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","CMGC protein kinase group","AGC protein kinase PKC family","CMGC protein kinase GSK family","AGC protein kinase PKC alpha subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Protein kinase C (PKC) family","Glycogen synthase kinase (GSK) family","Alpha 
subfamily","GSK subfamily","Delta subfamily"}

> <pathway_reactome>
{"Cell Cycle","Neuronal System",Disease,"Signal Transduction",Mitotic,"Transmission across Chemical Synapses","Infectious disease","Signaling by GPCR","M Phase","Neurotransmitter receptors and postsyn
aptic signal transmission","SARS-CoV Infections","GPCR downstream signalling","Mitotic Prophase","Glutamate binding","activation of AMPA receptors and synaptic plasticity","SARS-CoV-1 Infection","G al
pha (i) signalling events","Nuclear Envelope Breakdown","Trafficking of AMPA receptors","SARS-CoV-1 Genome Replication and Transcription","Visual phototransduction","Depolymerisation of the Nuclear La
mina","Trafficking of GluR2-containing AMPA receptors","Replication of the SARS-CoV-1 genome","The phototransduction cascade",Inactivation,"recovery and regulation of the phototransduction cascade"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CP21R7,125314-13-8,125314138,CP21R7(CP21),"3-(3-aminophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione","3(3aminophenyl)4(1methyl1Hindol3yl)1Hpyrrole2,5dione","3-(3-aminophenyl)-4-(1-methylindo
l-3-yl)pyrrole-2,5-dione","3(3aminophenyl)4(1methylindol3yl)pyrrole2,5dione","3-(3-Aminophenyl)-4-(1-methyl-3-indolyl)-1H-pyrrole-2,5-dione","3(3Aminophenyl)4(1methyl3indolyl)1Hpyrrole2,5dione",1H-Pyr
role-2,1HPyrrole2,5-dione,5dione,3,T3684}

> <pdid>
PD043933

> <targets>
{GSK-3¦Â}

> <classes>
{"PI3K/Akt/mTOR signaling","Stem Cells"}

> <pubchem_cids>
{5327711}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 15 16  0  0  0  0            999 V2000
    0.9513   -6.4982    0.0000 C   0  0
    1.8372   -5.2877    0.0000 N   0  0
    3.3372   -5.2929    0.0000 S   0  0
    3.8056   -3.8679    0.0000 C   0  0
    5.2311   -3.4009    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 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
    1.3786   -3.8595    0.0000 C   0  0
   -0.0436   -3.3826    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  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
  6 14  1  0
 14  2  1  0
 14 15  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25400

> <plate>
PLATE 004

> <well>
D3

> <supplier_cmpd_name>
TDZD-8

> <ctcr_id>
3784

> <supplier_cmpd_id>
T6187

> <smiles>
CN1SC(=O)N(Cc2ccccc2)C1=O

> <pd_targets>
{GSK3A,GSK3B,RORC,FFP,REP,CCNB1,CCNB2,CCNB3,CDK1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Kinase,"Nuclear receptor",Transferase,"Protein Kinase","Nuclear hormone receptor subfamily 1","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F",
"CMGC protein kinase GSK family","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase CDK family","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Anti-infective targets","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphan
s","Viral protein targets","Glycogen synthase kinase (GSK) family","Coronavirus (CoV) proteins","GSK subfamily"}

> <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 RUNX3","SARS-CoV-2 Infection","SARS-CoV-1 Genome Replication and Transcription","RUNX3 Regulates Immune Response and Cell Migration","SARS-CoV-2 Genome Replication and Transcription","Replicatio
n of the SARS-CoV-1 genome","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{DZD,TDZD-8,TDZD8,327036-89-5,327036895,"4-Benzyl-2-methyl-1,2,4-thiadiazolidine-3,5-dione","4Benzyl2methyl1,2,4thiadiazolidine3,5dione","GSK-3beta Inhibitor I","GSK3beta Inhibitor I","TDZD 8","1,2,4-
Thiadiazolidine-3,5-dione, 2-methyl-4-(phenylmethyl)-","1,2,4Thiadiazolidine3,5dione, 2methyl4(phenylmethyl)","NP 01139",MFCD04973552,"GSK-3beta Inhibitor I;NP 01139","GSK3beta Inhibitor I;NP 01139",t
hiadiazolidinone-8,thiadiazolidinone8,1,2,T6187,"EMD 361540",361540}

> <pdid>
PD013035

> <targets>
{GSK-3}

> <classes>
{PI3K/Akt/mTOR,Stem Cell/Wnt}

> <pubchem_cids>
{4124851}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25401

> <plate>
PLATE 004

> <well>
D4

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25402

> <plate>
PLATE 004

> <well>
D5

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25403

> <plate>
PLATE 004

> <well>
D6

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 35 38  0  0  0  0            999 V2000
    6.0788   -1.3780    0.0000 C   0  0
    5.6342    0.0546    0.0000 C   0  0
    6.6534    1.1562    0.0000 N   0  0
    8.1173    0.8252    0.0000 C   0  0
    8.5619   -0.6073    0.0000 O   0  0
    9.1366    1.9269    0.0000 C   0  0
    8.6920    3.3595    0.0000 O   0  0
   10.6004    1.5959    0.0000 C   0  0
   11.6208    2.6954    0.0000 C   0  0
   13.0832    2.3617    0.0000 C   0  0
   14.1034    3.4613    0.0000 F   0  0
   13.5253    0.9283    0.0000 C   0  0
   12.5051   -0.1713    0.0000 C   0  0
   12.9472   -1.6046    0.0000 F   0  0
   11.0427    0.1625    0.0000 C   0  0
    4.1703    0.3856    0.0000 C   0  0
    3.7257    1.8182    0.0000 O   0  0
    3.1510   -0.7161    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5242    2.0130    0.0000 O   0  0
    0.0000    1.7286    0.0000 N   0  0
    0.0000    3.2286    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 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 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  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  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  1  0
 13 15  2  0
 15  8  1  0
  2 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 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
 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 19  1  0
 35 30  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25404

> <plate>
PLATE 004

> <well>
D7

> <supplier_cmpd_name>
LY411575

> <ctcr_id>
5250

> <supplier_cmpd_id>
T6063

> <smiles>
CC(NC(=O)C(O)c1cc(F)cc(F)c1)C(=O)NC2C(=O)N(C)c3ccccc3c4ccccc24

> <pd_targets>
{APH1A,APH1B,NCSTN,PSEN1,PSEN2,PSENEN,SPPL2A}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Protease,"Other ion channel",Hydrolase,"Aspartic protease","Miscellaneous ion channel","Aspartic protease AD clan","Presenilin ER Ca2+ leak channel family","Aspartic protease A22
A subfamily","Aspartic protease A22A regulatory subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","AD: Aspartic (A) Peptidases","A22: Presenilin"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction","Nervous system development","Death Receptor Signalling","Axon guidance","TNF signaling","EPH-Ephrin signaling","Regulation of TNFR1 signaling","EPH-ephr
in mediated repulsion of cells"}

> <broad_targets>
{}

> <broad_moa>
{"gamma secretase inhibitor"}

> <synonyms>
{"LY-411575 isomer 1","LY411575 isomer 1",1103722-91-3,1103722913,SCHEMBL20495533,HMS3656B17,HMS3743M13,AK473865,DA-33418,DA33418,FT-0772846,FT0772846,1103516-01-3,1103516013,T6063,S2714,LY411575}

> <pdid>
PD010875

> <targets>
{Gamma-secretase}

> <classes>
{Proteases}

> <pubchem_cids>
{10205993}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 22  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
   -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
   -2.5908   -6.0056    0.0000 O   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
   -7.7793  -12.0196    0.0000 C   0  0
   -9.0768  -12.7723    0.0000 O   0  0
   -6.4790  -12.7673    0.0000 O   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0031    0.0000 O   0  0
   -3.8976    0.7553    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
  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  2  0
 17 19  1  0
  4 20  1  0
 20 21  2  0
 20 22  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25405

> <plate>
PLATE 004

> <well>
D8

> <supplier_cmpd_name>
IDE1

> <ctcr_id>
11912

> <supplier_cmpd_id>
T3162

> <smiles>
c1ccc(c(c1)/C=N/NC(=O)CCCCCC(=O)O)C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{IDE1,"7-(2-(2-Carboxybenzylidene)hydrazinyl)-7-oxoheptanoic acid","7(2(2Carboxybenzylidene)hydrazinyl)7oxoheptanoic acid","IDE 1",1160927-48-9,1160927489,"2-((E)-(6-carboxyhexanoylhydrazinylidene)met
hyl)benzoic acid","2((E)(6carboxyhexanoylhydrazinylidene)methyl)benzoic acid",SCHEMBL17744927,ZINC57218695,J-003382,J003382,"7-Oxo-7-(2-(2-carboxybenzylidene)hydrazino)heptanoic acid","7Oxo7(2(2carbox
ybenzylidene)hydrazino)heptanoic acid",T3162}

> <pdid>
PD018727

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{52420699}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 43 46  0  0  0  0            999 V2000
    6.4897   -5.2632    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
    5.1937   -3.0093    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 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
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    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
   -1.3040   -3.7440    0.0000 C   0  0
   -0.0027   -2.9981    0.0000 C   0  0
   -2.6123   -5.9877    0.0000 C   0  0
   -3.9079   -5.2319    0.0000 O   0  0
   -2.6196   -7.4877    0.0000 O   0  0
   -0.0166   -7.4980    0.0000 O   0  0
    5.1873   -7.5117    0.0000 S   0  0
    3.8894   -6.7597    0.0000 O   0  0
    3.8869   -8.2595    0.0000 O   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4824   -9.7648    0.0000 C   0  0
    7.7799  -10.5175    0.0000 C   0  0
    9.0805   -9.7701    0.0000 C   0  0
    9.0835   -8.2701    0.0000 C   0  0
    7.7860   -7.5175    0.0000 C   0  0
    7.7891   -6.0175    0.0000 F   0  0
   10.3841   -7.5228    0.0000 F   0  0
   10.3780  -10.5228    0.0000 F   0  0
    7.7768  -12.0175    0.0000 F   0  0
    5.1818  -10.5121    0.0000 F   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
  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  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
  6 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
 22 29  1  0
  2 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  2  0
 38 33  1  0
 38 39  1  0
 37 40  1  0
 36 41  1  0
 35 42  1  0
 34 43  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25406

> <plate>
PLATE 004

> <well>
D9

> <supplier_cmpd_name>
BP-1-102

> <ctcr_id>
11539

> <supplier_cmpd_id>
T3708

> <smiles>
CN(CC(=O)N(Cc1ccc(cc1)C1CCCCC1)c1cc(c(cc1)C(=O)O)O)S(=O)(=O)c1c(c(c(c(c1F)F)F)F)F

> <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>
{P110,BP-1-102,BP1102,1334493-07-0,1334493070,CHEMBL1829876,SCHEMBL10243263,BCP24676,EX-A1295,EXA1295,BDBM50353432,NSC764037,s7769,ZINC72116229,AKOS027423125,CCG-270277,CCG270277,CS-6205,CS6205,NSC-76
4037,"STAT3 Inhibitor XVIII, BP-1-102","STAT3 Inhibitor XVIII, BP1102",NCGC00345808-01,NCGC0034580801,AK474605,BS-15204,BS15204,HY-100493,HY100493,T3708}

> <pdid>
PD063511

> <targets>
{STAT3}

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

> <pubchem_cids>
{53388144}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 24 26  0  0  0  0            999 V2000
    7.7905   -6.0071    0.0000 Cl  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 C   0  0
    3.8983   -0.7549    0.0000 C   0  0
    5.1987   -0.0072    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 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
    3.8934   -5.2570    0.0000 C   0  0
    2.5944   -6.0070    0.0000 Cl  0  0
    5.1924   -6.0070    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  1  0
  9 10  3  0
  8 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
 20 21  1  0
 21 11  1  0
  5 22  1  0
 22 23  1  0
 22 24  2  0
 24  2  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25407

> <plate>
PLATE 004

> <well>
D10

> <supplier_cmpd_name>
Ciliobrevin A

> <ctcr_id>
11681

> <supplier_cmpd_id>
T3156

> <smiles>
Clc1ccc(C(=O)C(\C#N)=C2\NC(=O)c3ccccc3N2)c(Cl)c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Ciliobrevin A",HPI-4,HPI4,302803-72-1,302803721,CiliobrevinA,"Ciliobrevin A(HPI4)",BCP18834,ZINC5706303,ZINC100434768,AK685752,T3156}

> <pdid>
PD041022

> <targets>
{Hedgehog}

> <classes>
{"GPCR/G Protein","Stem Cells"}

> <pubchem_cids>
{135486395}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 34 37  0  0  0  0            999 V2000
    6.0788   -1.3780    0.0000 C   0  0
    5.6342    0.0546    0.0000 C   0  0
    6.6534    1.1562    0.0000 N   0  0
    8.1173    0.8252    0.0000 C   0  0
    8.5619   -0.6073    0.0000 O   0  0
    9.1366    1.9269    0.0000 C   0  0
   10.6004    1.5959    0.0000 C   0  0
   11.6208    2.6954    0.0000 C   0  0
   13.0832    2.3617    0.0000 C   0  0
   14.1034    3.4613    0.0000 F   0  0
   13.5253    0.9283    0.0000 C   0  0
   12.5051   -0.1713    0.0000 C   0  0
   12.9472   -1.6046    0.0000 F   0  0
   11.0427    0.1625    0.0000 C   0  0
    4.1703    0.3856    0.0000 C   0  0
    3.7257    1.8182    0.0000 O   0  0
    3.1510   -0.7161    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5242    2.0130    0.0000 O   0  0
    0.0000    1.7286    0.0000 N   0  0
    0.0000    3.2286    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 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 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  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
 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 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
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 18  1  0
 34 29  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25408

> <plate>
PLATE 004

> <well>
D11

> <supplier_cmpd_name>
Dibenzazepine

> <ctcr_id>
6205

> <supplier_cmpd_id>
T6135

> <smiles>
CC(NC(=O)Cc1cc(F)cc(F)c1)C(=O)NC2C(=O)N(C)c3ccccc3c4ccccc24

> <pd_targets>
{APH1A,APH1B,NCSTN,PSEN1,PSEN2,PSENEN}

> <pathway_gtopdb>
{Enzyme,Protease,"Aspartic protease","Aspartic protease AD clan","Aspartic protease A22A subfamily","Aspartic protease A22A regulatory subfamily"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"gamma secretase inhibitor"}

> <synonyms>
{O0102,"gamma-Secretase Inhibitor XX","gammaSecretase Inhibitor XX",CHEMBL2130730,SCHEMBL18425107,HMS3656N15,NCGC00389645-02,NCGC0038964502,AK101890,DB-066402,DB066402,FT-0666470,FT0666470,T6135,S2711
,Dibenzazepine,YO-01027}

> <pdid>
PD010877

> <targets>
{Gamma-secretase}

> <classes>
{Proteases}

> <pubchem_cids>
{10115684}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25409

> <plate>
PLATE 004

> <well>
E2

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25410

> <plate>
PLATE 004

> <well>
E3

> <supplier_cmpd_name>
Saikosaponin D

> <ctcr_id>
11162

> <supplier_cmpd_id>
T3913

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 58 65  0  0  1  0            999 V2000
   -7.0152    0.5710    0.0000 C   0  0
   -5.7207    1.3288    0.0000 O   0  0
   -8.3185    1.3135    0.0000 C   0  0
   -7.0071   -0.9298    0.0000 O   0  0
   -8.3023   -1.6881    0.0000 C   0  0  1  0  0  0
   -8.2964   -3.1881    0.0000 C   0  0  1  0  0  0
   -9.5925   -3.9431    0.0000 O   0  0
  -10.8945   -3.1983    0.0000 C   0  0
  -10.9004   -1.6983    0.0000 C   0  0  2  0  0  0
   -9.6043   -0.9432    0.0000 C   0  0  2  0  0  0
   -9.6102    0.5568    0.0000 O   0  0
  -12.2024   -0.9534    0.0000 O   0  0
   -6.9921   -3.9307    0.0000 O   0  0
   -5.6963   -3.1734    0.0000 C   0  0  1  0  0  0
   -5.6963   -1.6754    0.0000 C   0  0
   -4.4151   -0.9264    0.0000 C   0  0
   -3.1340   -1.6754    0.0000 C   0  0  2  0  0  0
   -1.8528   -0.8870    0.0000 C   0  0
   -1.8331    0.5322    0.0000 C   0  0
   -0.5322    1.2812    0.0000 C   0  0
    0.7096    0.5322    0.0000 C   0  0  1  0  0  0
    0.7096   -0.9264    0.0000 C   0  0  2  0  0  0
   -0.5322   -1.6754    0.0000 C   0  0  2  0  0  0
   -0.5322   -3.1734    0.0000 C   0  0
   -1.8331   -3.9027    0.0000 C   0  0  1  0  0  0
   -3.1340   -3.1734    0.0000 C   0  0  1  0  0  0
   -4.4151   -3.9027    0.0000 C   0  0
   -3.0984   -4.6211    0.0000 C   0  0
   -5.7318   -4.6213    0.0000 C   0  0
   -1.8300   -5.4039    0.0000 O   0  0
   -0.5292   -6.1525    0.0000 C   0  0  1  0  0  0
   -0.5239   -7.6525    0.0000 C   0  0  1  0  0  0
    0.7777   -8.3980    0.0000 C   0  0  2  0  0  0
    2.0742   -7.6435    0.0000 C   0  0  1  0  0  0
    2.0690   -6.1435    0.0000 C   0  0  2  0  0  0
    0.7674   -5.3980    0.0000 O   0  0
    3.3677   -5.3913    0.0000 C   0  0
    4.6683   -6.1386    0.0000 O   0  0
    3.3758   -8.3890    0.0000 O   0  0
    0.7829   -9.8980    0.0000 O   0  0
   -1.8203   -8.4070    0.0000 O   0  0
    2.1287   -1.3994    0.0000 C   0  0
    3.0157    0.0000    0.0000 C   0  0  1  0  0  0
    2.1287    1.0052    0.0000 C   0  0  2  0  0  0
    2.5554    2.4435    0.0000 C   0  0  2  0  0  0
    3.6345    1.4548    0.0000 O   0  0
    4.9133    2.2389    0.0000 C   0  0  1  0  0  0
    4.5627    3.6973    0.0000 C   0  0
    3.0673    3.8146    0.0000 C   0  0
    6.2976    1.6659    0.0000 C   0  0
    7.4871    2.5798    0.0000 C   0  0
    7.6839    1.0929    0.0000 C   0  0
    6.4948    0.1789    0.0000 O   0  0
    1.5218    3.5305    0.0000 C   0  0
    4.5110    0.1184    0.0000 O   0  0
    0.8750   -2.4172    0.0000 C   0  0
    0.8750    2.0230    0.0000 C   0  0
   -3.1340    0.0394    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  1  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
 10 11  1  6
  9 12  1  1
  6 13  1  6
 14 13  1  1
 14 15  1  0
 15 16  1  0
 17 16  1  6
 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
 23 24  1  6
 24 25  1  0
 25 26  1  0
 26 17  1  0
 26 27  1  1
 27 14  1  0
 27 28  1  0
 27 29  1  0
 25 30  1  6
 31 30  1  6
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 31  1  0
 35 37  1  6
 37 38  1  0
 34 39  1  1
 33 40  1  6
 32 41  1  1
 22 42  1  0
 42 43  1  0
 44 43  1  1
 44 21  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 45  1  0
 47 50  1  1
 50 51  1  0
 50 52  1  0
 50 53  1  0
 45 54  1  6
 43 55  1  1
 22 56  1  6
 21 57  1  1
 18 58  1  0
 58 17  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25411

> <plate>
PLATE 004

> <well>
E4

> <supplier_cmpd_name>
Astragaloside II

> <ctcr_id>
11913

> <supplier_cmpd_id>
T3924

> <smiles>
C(=O)(C)O[C@H]1[C@@H](OC[C@H]([C@@H]1O)O)O[C@H]1CC[C@]23C4(CC[C@]5([C@]([C@@H]4C[C@@H]([C@H]2C1(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C[C@@H]([C@@H]5[C@@]1(O[C@@H](CC1)C(C)(C)O)C)O)C)C)C3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{T3924,"Astragaloside II"}

> <pdid>
PD063539

> <targets>
{Smad1,Smad5,Smad8}

> <classes>
{"Stem Cells"}

> <pubchem_cids>
{132399082}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 25 27  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
   -2.5981   -1.5000    0.0000 Cl  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
    0.0935   -6.1101    0.0000 C   0  0
    0.5570   -7.5366    0.0000 N   0  0
    2.0570   -7.5366    0.0000 N   0  0
    2.5205   -6.1100    0.0000 C   0  0
    3.9428   -5.6391    0.0000 C   0  0
    4.2459   -4.1700    0.0000 O   0  0
    5.0644   -6.6363    0.0000 N   0  0
    6.4891   -6.1645    0.0000 C   0  0
    7.6116   -7.1595    0.0000 C   0  0
    9.0346   -6.6851    0.0000 C   0  0
    9.3352   -5.2155    0.0000 N   0  0
    8.2128   -4.2204    0.0000 C   0  0
    6.7898   -4.6948    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
  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  1  0
 15 16  2  0
 16 12  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 20  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25412

> <plate>
PLATE 004

> <well>
E5

> <supplier_cmpd_name>
AT7519

> <ctcr_id>
2199

> <supplier_cmpd_id>
T6205

> <smiles>
Clc1cccc(Cl)c1C(=O)Nc2c[nH]nc2C(=O)NC3CCNCC3

> <pd_targets>
{TLK1,TAOK2,TAOK3,CLK2,DYRK1B,CDK2,CDK7,CDK9,CCNA1,CCNA2,DMPK,CDK17,DCLK3,CDK16,TAOK1,CDK5,SLK,CDK3,DYRK2,DCLK2,CCND1,CDK4,CDK5R1,CDK11B,DYRK1A,CAMKK2,CILK1,CLK4,MAK,CDK14,CDK19,CDK13,MAPK7,GSK3B,CDK1
1A,MAPK15,CLK1,CDK18,CASK,CLK3,CCNY,CDKL2,GSK3A,CDKL5,CCND3,CDK6,CDK15,CCNB1,CDK1,CCNE1,CCNH,MNAT1,CDK10,CDK12,CDK20,CDK8}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","STE protein kinase group","CMGC protein kinase group","AGC protein kinase group","CAMK protein kinase group","Other protein kinase TLK fam
ily","STE protein kinase STE20 family","CMGC protein kinase CLK family","CMGC protein kinase DYRK family","CMGC protein kinase CDK family","AGC protein kinase DMPK family","CAMK protein kinase DCAMK1 
family","Other protein kinase CAMKK family","CMGC protein kinase RCK family","CMGC protein kinase MAPK family","CMGC protein kinase GSK family","CMGC protein kinase CDKL family","STE protein kinase TA
O subfamily","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase CDK7 subfamily","CMGC protein kinase CDK9 subfamily","AGC protein kinase GEK subfamily","CM
GC protein kinase PCTAIRE","CMGC protein kinase TAIRE subfamily","CMGC protein kinase CDK5 subfamily","STE protein kinase SLK subfamily","CMGC protein kinase Dyrk2 subfamily","CMGC protein kinase PITS
LRE subfamily","Other protein kinase Meta subfamily","CMGC protein kinase MAK","CMGC protein kinase PFTAIRE","CMGC protein kinase CDK8 subfamily","CMGC protein kinase ERK5"}

> <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",
"AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","Other protein kinases","STE20 family","CLK family","Dual-specificity tyrosine-(Y)-phosphorylation regulat
ed kinase (DYRK) family","Cyclin-dependent kinase (CDK) family","DMPK family","DCAMKL family","RCK family","Mitogen-activated protein kinases (MAP kinases)","Glycogen synthase kinase (GSK) family","CA
SK family","Cyclin-dependent kinase-like (CDKL) family","Tousled-like kinase (TLK) family","TAO subfamily","Dyrk1 subfamily","CDK1 subfamily","CDK7 subfamily","CDK9 subfamily","GEK subfamily","TAIRE s
ubfamily","CDK5 subfamily","SLK subfamily","Dyrk2 subfamily","PITSLRE subfamily","CDK4 subfamily","CAMKK family","CDK8 subfamily","CRK7 subfamily","ERK subfamily","GSK subfamily","Erk7 subfamily","Met
a subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Muscle contraction","Cell Cycle","Neuronal System",Metabolism,"Immune System","RNA Polymerase II Transcription","Infectious disease","Cardiac conduction",Mi
totic,"Transmission across Chemical Synapses","Metabolism of lipids","Innate Immune System","Generic Transcription Pathway","HIV Infection","Ion homeostasis","M Phase","Mitotic G2-G2/M phases","Mitoti
c G1 phase and G1/S transition","Neurotransmitter receptors and postsynaptic signal transmission","Regulation of lipid metabolism by PPARalpha","Toll-like Receptor Cascades","SARS-CoV Infections","Reg
ulation of mitotic cell cycle","Transcriptional Regulation by TP53","HIV Life Cycle","Mitotic Metaphase and Anaphase","G2/M Transition","G1 Phase","G0 and Early G1","Activation of NMDA receptors and p
ostsynaptic events","PPARA activates gene expression","Toll Like Receptor 5 (TLR5) Cascade","SARS-CoV-1 Infection","APC/C-mediated degradation of cell cycle proteins","Regulation of TP53 Activity","La
te Phase of HIV Life Cycle","Mitotic Anaphase","Centrosome maturation","Cyclin D associated events in G1","Post NMDA receptor activation events","TP53 Regulates Transcription of DNA Repair Genes","MyD
88 cascade initiated on plasma membrane","SARS-CoV-1 Genome Replication and Transcription","Assembly and cell surface presentation of NMDA receptors","Activation of APC/C and APC/C:Cdc20 mediated degr
adation of mitotic proteins","Regulation of TP53 Expression and Degradation","Transcription of the HIV genome","Separation of Sister Chromatids","Regulation of TP53 Activity through Phosphorylation","
Recruitment of mitotic centrosome proteins and complexes","Activation of AMPK downstream of NMDARs","MAP kinase activation","Replication of the SARS-CoV-1 genome","APC/C:Cdc20 mediated degradation of 
mitotic proteins","Regulation of TP53 Degradation","HIV Transcription Elongation","MAPK targets/ Nuclear events mediated by MAP kinases","APC:Cdc20 mediated degradation of cell cycle proteins prior to
 satisfation of the cell cycle checkpoint","Tat-mediated elongation of the HIV-1 transcript","ERK/MAPK targets","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Formation of HIV-1 elongation co
mplex containing HIV-1 Tat","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{LZE,AT7519,844442-38-2,844442382,AT-7519,"AT 7519","4-(2,6-dichlorobenzamido)-N-(piperidin-4-yl)-1H-pyrazole-3-carboxamide","4(2,6dichlorobenzamido)N(piperidin4yl)1Hpyrazole3carboxamide",UNII-X1BF92P
W9T,UNIIX1BF92PW9T,"N-(4-Piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide","N(4Piperidinyl)4(2,6dichlorobenzoylamino)1Hpyrazole3carboxamide","AT-7519 free base","AT7519 free base",X
1BF92PW9T,4-((2,4((2,6-dic,6dic,S1524,SY-AT-7519}

> <pdid>
PD004706

> <targets>
{CDK}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{11338033}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 34 38  0  0  0  0            999 V2000
    9.0994   -0.7675    0.0000 C   0  0
    9.1044    0.7325    0.0000 O   0  0
    7.7969   -1.5132    0.0000 C   0  0
    6.4994   -0.7589    0.0000 O   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 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
   -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
   -4.9971   -6.2653    0.0000 C   0  0
   -4.3823   -7.6335    0.0000 N   0  0
   -2.8911   -7.4716    0.0000 N   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
   -2.5981    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
   10.3968   -1.5218    0.0000 N   0  0
   11.6993   -0.7762    0.0000 C   0  0
   12.9961   -1.5301    0.0000 C   0  0
   11.7043    0.7238    0.0000 C   0  0
  1  2  2  0
  1  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
  7 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
 18 19  2  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
 24 25  1  0
 25 26  2  0
 26 18  1  0
 14 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 13  1  0
  1 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25413

> <plate>
PLATE 004

> <well>
E6

> <supplier_cmpd_name>
KD025

> <ctcr_id>
11625

> <supplier_cmpd_id>
T6867

> <smiles>
C(=O)(COc1cc(ccc1)c1nc2c(c(n1)Nc1cc3cn[nH]c3cc1)cccc2)NC(C)C

> <pd_targets>
{STK3,CLK2,CSNK2A1,CLK4,ROCK2,ROCK1,AURKB,STK17A,DYRK1A,BLK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","STE protein kinase group","CMGC protein kinase group","Other protein kinase group","AGC protein kinase group","CAMK protein kinase group","TK protein kinase group","ST
E protein kinase STE20 family","CMGC protein kinase CLK family","Other protein kinase CK2 family","AGC protein kinase DMPK family","Other protein kinase AUR family","CAMK protein kinase DAPK family","
CMGC protein kinase DYRK family","Tyrosine protein kinase Src family","STE protein kinase MST subfamily","AGC protein kinase ROCK subfamily","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases",
"AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","STE20 family","CLK family","Other protein kinases","DMPK family","Death-associated kinase (DAPK) family",
"Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","TK: Tyrosine kinase","MST subfamily","Casein kinase 2 (CK2) family","Rho kinase","Aurora kinase (Aur) family","Dyrk1 sub
family","Non-receptor tyrosine kinases (nRTKs)","Src family"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Developmental Biology","Cell Cycle","Signaling by Hippo","RNA Polymerase II Transcription","Nervous system development",Mitotic,"Generic Trans
cription Pathway","Axon guidance","M Phase","Mitotic G1 phase and G1/S transition","Transcriptional Regulation by TP53","Semaphorin interactions","Mitotic Metaphase and Anaphase","G0 and Early G1","Tr
anscriptional regulation by RUNX1","Regulation of TP53 Activity","Sema4D in semaphorin signaling","Mitotic Anaphase","RUNX1 regulates transcription of genes involved in BCR signaling","Regulation of T
P53 Activity through Phosphorylation","Sema4D induced cell migration and growth-cone collapse","Separation of Sister Chromatids"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"US10570123, Example 232",CCG-269256,CCG269256,CS-0776,CS0776,SB16915,"SLx-2119; KD-025","SLx2119; KD025",911417-87-3,911417873,SLx-2119,SLx2119,KD-025,KD025,Belumosudil,"ROCK inhibitor 2",UNII-834YJ
F89WO,UNII834YJF89WO,"SLx 2119","KD025 (SLx-2119)","KD025 (SLx2119)",834YJF89WO,C26H24N6O2,2-(3-(4-(1H-indazol-5-ylamino)quinazolin-2-y,2(3(4(1Hindazol5ylamino)quinazolin2y,T6867}

> <pdid>
PD012898

> <targets>
{ROCK,ROCK2}

> <classes>
{Cell Cycle/Checkpoint,Stem Cells,Cell Cycle/DNA Damage,Cytoskeleton,Stem Cell/Wnt,TGF-beta/Smad}

> <pubchem_cids>
{11950170}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 36 41  0  0  0  0            999 V2000
    6.4971   -0.7566    0.0000 F   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
    3.8919   -5.2525    0.0000 F   0  0
    5.1945   -3.0045    0.0000 C   0  0
    6.4946   -3.7543    0.0000 C   0  0
    7.7945   -3.0041    0.0000 N   0  0
    9.0950   -3.7516    0.0000 C   0  0
   10.3927   -2.9992    0.0000 C   0  0
   10.3899   -1.4992    0.0000 O   0  0
    9.0894   -0.7517    0.0000 C   0  0
    7.7918   -1.5041    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    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
   -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 C   0  0
   -2.5112   -6.1125    0.0000 C   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 C   0  0
    0.3387   -8.7487    0.0000 C   0  0
   -0.1635  -10.1569    0.0000 C   0  0
    0.8088  -11.2991    0.0000 C   0  0
    2.2841  -11.0281    0.0000 N   0  0
    2.7871   -9.6150    0.0000 C   0  0
    1.8148   -8.4728    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
  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
  4 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
 23 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 26  2  0
 29 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_L8000_Stem cell Differentiation Compound Library

> <id>
25414

> <plate>
PLATE 004

> <well>
E7

> <supplier_cmpd_name>
NVP-BSK805

> <ctcr_id>
8280

> <supplier_cmpd_id>
T5049

> <smiles>
Fc1cc(cc(F)c1CN2CCOCC2)c3cccc4ncc(nc34)c5cnn(c5)C6CCNCC6

> <pd_targets>
{JAK3,JAK1,JAK2,TYK2,ABL1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase JakA family","Tyrosine protein kinase Abl family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Janus kinase (JakA) family","Abl family"}

> <pathway_reactome>
{"Immune System","Cell Cycle",Disease,"Cytokine Signaling in Immune system",Mitotic,"Infectious disease","Signaling by Interleukins","Interferon Signaling","Mitotic G1 phase and G1/S transition","Leis
hmania infection","Interleukin-2 family signaling","Antiviral mechanism by IFN-stimulated genes","G1 Phase","Interferon alpha/beta signaling","Parasite infection","Interleukin-15 signaling","ISG15 ant
iviral mechanism","Cyclin D associated events in G1","Regulation of IFNA signaling","Leishmania phagocytosis","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{VPBSK80,NVP-BSK805,NVPBSK805,1092499-93-8,1092499938,CHEMBL1092926,"BSK 805",DQX,"NVP-BSK 805 HCl","NVPBSK 805 HCl",C27H30Cl2F2N6O,"NVP-BSK 805","NVPBSK 805",SCHEMBL2800994,EX-A286,EXA286,BCP29570,BD
BM50315231,MFCD22419018,ZINC49070412,CS-1629,CS1629,NCGC00263202-01,NCGC0026320201,NCGC00263202-08,NCGC0026320208,AC-28460,AC28460,AK473881,HY-14722,HY14722,X7514,Q,T5049,T6294,HY-14722,"NVP-BSK805 2H
Cl (1092499-93-8(free base))",NVP-BSK805,"NVP BSK 805"}

> <pdid>
PD003577

> <targets>
{JAK}

> <classes>
{}

> <pubchem_cids>
{46398810}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 34 36  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
    2.5625    0.0216    0.0000 C   0  0
    3.8615   -0.7286    0.0000 O   0  0
    2.5631    1.5224    0.0000 C   0  0
    3.8627    2.2731    0.0000 C   0  0
    3.8634    3.7739    0.0000 C   0  0
    5.1612    4.5261    0.0000 C   0  0
    5.1588    6.0261    0.0000 C   0  0
    3.8585    6.7740    0.0000 C   0  0
    3.8530    8.2748    0.0000 O   0  0
    2.5517    9.0209    0.0000 C   0  0
    2.5607    6.0219    0.0000 C   0  0
    2.5631    4.5219    0.0000 C   0  0
    6.4589    6.7759    0.0000 O   0  0
    7.7580    6.0262    0.0000 C   0  0
    1.2628   -2.2303    0.0000 C   0  0
   -0.0366   -2.9798    0.0000 O   0  0
    2.5620   -2.9817    0.0000 C   0  0
    2.5618   -4.4825    0.0000 C   0  0
    3.8610   -5.2339    0.0000 C   0  0
    3.8630   -6.7340    0.0000 C   0  0
    5.1630   -7.4823    0.0000 C   0  0
    6.4611   -6.7306    0.0000 C   0  0
    6.4592   -5.2306    0.0000 C   0  0
    5.1591   -4.4823    0.0000 C   0  0
    7.7634   -7.4767    0.0000 O   0  0
    9.0604   -6.7231    0.0000 C   0  0
    5.1619   -8.9831    0.0000 O   0  0
    3.8627   -9.7329    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
  1  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
 14 17  1  0
 17 18  2  0
 18 11  1  0
 13 19  1  0
 19 20  1  0
  1 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 29  1  0
 29 30  2  0
 30 25  1  0
 28 31  1  0
 31 32  1  0
 27 33  1  0
 33 34  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25415

> <plate>
PLATE 004

> <well>
E8

> <supplier_cmpd_name>
FLLL32

> <ctcr_id>
11542

> <supplier_cmpd_id>
T6838

> <smiles>
C1(CCCCC1)(C(=O)/C=C/c1cc(c(OC)cc1)OC)C(=O)/C=C/c1cc(c(cc1)OC)OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{FLLL32,1226895-15-3,1226895153,CHEMBL2172012,"FLLL-32; FLLL 32","FLLL32; FLLL 32",SCHEMBL10054093,"(2E,2'E)-1,1'-cyclohexylidenebis(3-(3,4-dimethoxyphenyl)-2-propen-1-one)","(2E,2'E)1,1'cyclohexylide
nebis(3(3,4dimethoxyphenyl)2propen1one)",BCP28141,EX-A1096,EXA1096,MFCD27976793,s7259,ZINC95557239,CCG-269394,CCG269394,NCGC00481557-01,NCGC0048155701,AC-33050,AC33050,BS-14678,BS14678,QC-11753,QC1175
3,T6838}

> <pdid>
PD021528

> <targets>
{JAK,JAK2,Apoptosis,STAT}

> <classes>
{Angiogenesis,Chromatin/Epigenetic,JAK/STAT signaling,Stem Cells,Apoptosis,Epigenetics,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{68019246}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 33 37  0  0  0  0            999 V2000
   -6.4580   -6.9843    0.0000 C   0  0
   -4.9580   -6.9919    0.0000 N   0  0
   -4.2146   -8.2947    0.0000 C   0  0
   -2.7146   -8.3023    0.0000 C   0  0
   -1.9579   -7.0071    0.0000 N   0  0
   -2.7015   -5.7043    0.0000 C   0  0
   -4.2014   -5.6967    0.0000 C   0  0
   -0.4572   -7.0123    0.0000 C   0  0
    0.2883   -8.3139    0.0000 C   0  0
    1.7883   -8.3192    0.0000 C   0  0
    2.5428   -7.0227    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5497   -4.4224    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
    0.0000   -1.5000    0.0000 N   0  0
    0.3114   -2.9665    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
    6.4931    3.7571    0.0000 S   0  0
    7.7938    3.0100    0.0000 O   0  0
    6.4902    5.2571    0.0000 O   0  0
    7.7905    4.5098    0.0000 C   0  0
    0.2973   -5.7159    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  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  1  0
 22 14  2  0
 17 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
 29 30  2  0
 29 31  2  0
 29 32  1  0
 12 33  2  0
 33  8  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25416

> <plate>
PLATE 004

> <well>
E9

> <supplier_cmpd_name>
CEP-33779

> <ctcr_id>
3263

> <supplier_cmpd_id>
T6122

> <smiles>
CN1CCN(CC1)c2cccc(Nc3nc4c(cccn4n3)c5ccc(cc5)S(=O)(=O)C)c2

> <pd_targets>
{JAK2,JAK3,PTK2,CYP3A4,JAK1,ABCB1}

> <pathway_gtopdb>
{Enzyme,Transporter,Kinase,"Cytochrome P450","Primary active transporter","Protein Kinase","Cytochrome P450 family 3","ATP-binding cassette","TK protein kinase group","Cytochrome P450 family 3A","ABCB
 subfamily","Tyrosine protein kinase JakA family","Tyrosine protein kinase Fak family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Catalytic receptors","Cytochrome P450","ATP-binding cassette transporter family","Receptor kinases","CYP3 family","ABCB subfamily","TK: Tyrosine kinase","Non-receptor 
tyrosine kinases (nRTKs)","Janus kinase (JakA) family","Fak family"}

> <pathway_reactome>
{"Cell Cycle","Immune System",Disease,Metabolism,Mitotic,"Cytokine Signaling in Immune system","Infectious disease","Metabolism of lipids","Abacavir transport and metabolism","Mitotic G1 phase and G1/
S transition","Signaling by Interleukins","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Interferon Signaling","Abacavir transmembrane transport","G1 Phase","Inter
leukin-2 family signaling","Parasite infection","Biosynthesis of DHA-derived SPMs","Antiviral mechanism by IFN-stimulated genes","Cyclin D associated events in G1","Interleukin-15 signaling","Leishman
ia phagocytosis","Biosynthesis of maresins","ISG15 antiviral mechanism","FCGR3A-mediated phagocytosis","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{CEP-33779,CEP33779,1257704-57-6,1257704576,CHEMBL2062804,C24H26N6O2S,1346168-57-7,1346168577,MLS006011248,GTPL9387,SCHEMBL2634485,BDBM99537,DTXSID30720926,SYN1156,HMS3651D13,BCP27756,EX-A1032,EXA1032
,2311AH,MFCD22683932,s2806,ZINC84727467,AKOS025404934,CCG-265001,CCG265001,CS-3439,CS3439,SB19,T6122,T2426,S2806}

> <pdid>
PD010563

> <targets>
{JAK}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{57336812}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25417

> <plate>
PLATE 004

> <well>
E10

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 31 35  0  0  0  0            999 V2000
   -1.7616   -9.1692    0.0000 C   0  0
   -0.7600   -8.0526    0.0000 N   0  0
    0.7077   -8.3622    0.0000 C   0  0
   -1.2256   -6.6258    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
    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
    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
  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 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
  9 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 16  1  0
 21 22  2  0
 17 23  1  0
 23 24  2  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 23  1  0
 31 26  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25418

> <plate>
PLATE 004

> <well>
E11

> <supplier_cmpd_name>
Bisindolylmaleimide I

> <ctcr_id>
200

> <supplier_cmpd_id>
T6513

> <smiles>
CN(C)CCCn1cc(c2ccccc12)C3=C(C(=O)NC3=O)c4c[nH]c5ccccc45

> <pd_targets>
{PRKCE,RECQL,SMN1,MAPT,FFP,FTL,PHKA1,PRKCA,PIM1,SIRT2,PRKCZ,CYP3A4,PRKACA,PRKCB,PRKCH,SIRT1,MAPK1,TSHR,CYP2C9,GSK3B,PRKCQ,PRKCG,CCND1,CDK4,CCNB1,CCNB2,CCNB3,CDK1,KMT2A,MEN1,CYP1A2,PFMRK,PRKCD,CCNE1,CC
NE2,CDK2,LEF,TP53,PRKCI,KCNH2,LMTK3}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein","Unclassified protein","Membrane receptor","Transcription factor","Ion channel",Kinase,Reader,Transferase,Eraser,"Cytochrome P450","Family A G 
protein-coupled receptor",Protease,"Voltage-gated ion channel","Protein Kinase","Methyl-lysine/arginine binding protein","Histone deacetylase","Cytochrome P450 family 3","Peptide receptor (family A GP
CR)","Cytochrome P450 family 2",Bromodomain,"Cytochrome P450 family 1","Metallo protease","Potassium channels","AGC protein kinase group","Tudor domain","CAMK protein kinase group","HDAC class III","C
ytochrome P450 family 3A","CMGC protein kinase group","Glycohormone receptor","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Metallo protease MAE clan","Voltage-gated potassium channel","AGC
 protein kinase PKC family","CAMK protein kinase PIM family","Cytochrome P450 3A4","AGC protein kinase PKA family","CMGC protein kinase MAPK family","Cytochrome P450 2C9","CMGC protein kinase GSK fami
ly","CMGC protein kinase CDK family","Cytochrome P450 1A1","Metallo protease M34 family","AGC protein kinase PKC eta subfamily","AGC protein kinase PKC alpha subfamily","AGC protein kinase PKC iota su
bfamily","CMGC protein kinase ERK1","AGC protein kinase PKC delta subfamily","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Cytochrome P450","G protein-coupled receptors","Voltage-gated ion channels","Catalytic receptors","AGC: Containi
ng PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","3.5.1.- Histone deacetylases (HDACs)","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Glycoprotein hormo
ne receptors","CYP2 family: drug metabolising subset","CYP1 family","Potassium channels","Receptor kinases","Protein kinase C (PKC) family","PIM family","Protein kinase A (PKA) family","Mitogen-activa
ted protein kinases (MAP kinases)","Glycogen synthase kinase (GSK) family","Voltage-gated potassium channels","TK: Tyrosine kinase","Eta subfamily","Delta subfamily","Iota subfamily","Alpha subfamily"
,"ERK subfamily","GSK subfamily","Receptor tyrosine kinases (RTKs)","Type XVIII RTKs: LMR family"}

> <pathway_reactome>
{"Immune System","Metabolism of RNA","Neuronal System","Vesicle-mediated transport","Signal Transduction",Disease,"Cell Cycle",Metabolism,"Gene expression (Transcription)","Muscle contraction","Innate
 Immune System","Metabolism of non-coding RNA","Transmission across Chemical Synapses","Membrane Trafficking","Signaling by GPCR","Diseases of signal transduction by growth factor receptors and second
 messengers",Mitotic,"Signaling by Nuclear Receptors","Metabolism of lipids","RNA Polymerase II Transcription","Infectious disease","Biological oxidations","Intracellular signaling by second messenger
s","Cell Cycle Checkpoints","Death Receptor Signalling","Cardiac conduction","Fcgamma receptor (FCGR) dependent phagocytosis","snRNP Assembly","Neurotransmitter receptors and postsynaptic signal trans
mission","trans-Golgi Network Vesicle Budding","GPCR downstream signalling","FLT3 signaling in disease","M Phase","ESR-mediated signaling","Biosynthesis of specialized proresolving mediators (SPMs)","
Mitotic G2-G2/M phases","Generic Transcription Pathway","Toll-like Receptor Cascades","Leishmania infection","Phase I - Functionalization of compounds","SARS-CoV Infections","DAG and IP3 signaling","U
ptake and actions of bacterial toxins","G1/S DNA Damage Checkpoints","p75 NTR receptor-mediated signalling","Phase 3 - rapid repolarisation","Role of phospholipids in phagocytosis","Activation of NMDA
 receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis","G alpha (i) signalling events","Signaling by FLT3 ITD and TKD mutants","Mitotic Metaphase and Anaphase","Extra-nuclear estrog
en signaling","Biosynthesis of DHA-derived SPMs","G2/M Transition","Mitotic Prophase","G alpha (z) signalling events","FOXO-mediated transcription","Toll Like Receptor 5 (TLR5) Cascade","Leishmania pa
rasite growth and survival","Cytochrome P450 - arranged by substrate type","SARS-CoV-1 Infection","Glutamate binding","activation of AMPA receptors and synaptic plasticity","CaM pathway","Uptake and f
unction of anthrax toxins","p53-Dependent G1/S DNA damage checkpoint","p75NTR signals via NF-kB","Post NMDA receptor activation events","Visual phototransduction","STAT5 activation downstream of FLT3 
ITD mutants","Mitotic Anaphase","Estrogen-stimulated signaling through PRKCZ","Biosynthesis of maresins","Centrosome maturation","Nuclear Envelope Breakdown","Regulation of FOXO transcriptional activi
ty by acetylation","MyD88 cascade initiated on plasma membrane","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"SARS-CoV-1 Genome Replication and Transcription","Traf
ficking of AMPA receptors","Calmodulin induced events","p53-Dependent G1 DNA Damage Response","p75NTR recruits signalling complexes","Activation of AMPK downstream of NMDARs","The phototransduction ca
scade","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Loss of proteins required for interphase microtubule organization from the centrosome","Depolymerisation of the Nuclear L
amina","MAP kinase activation","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Replication of the SARS-CoV-1 genome","Trafficking of GluR2-containing AMPA receptors","Aro
matic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Stabilization of p53",Inactivation,"recovery and regulation of the phototransduction cascade","Initiation of Nuclear Envelope (NE) Refor
mation","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{PDPK1,PIM1,PRKCI,PRKCZ}

> <broad_moa>
{"PKC inhibitor"}

> <synonyms>
{"bisindolylmaleimide i",133052-90-1,133052901,"GF 109203X",GF109203X,"Go 6850",GF-109203X,Go-6850,Go6850,UNII-L79H6N0V6C,UNIIL79H6N0V6C,2-(1-(3-dimethylaminopropyl)indol-3-yl)-3-(indol-3-yl)maleimide
,2(1(3dimethylaminopropyl)indol3yl)3(indol3yl)maleimide,"G&ouml; 6850",CHEMBL7463,L79H6N0V6C,2-(1-(3-Dimethylaminopropyl)indol-3-y,2(1(3Dimethylaminopropyl)indol3y,T6513,"EMD 203290",SY-GF109203X,741,
EI-246,"Bisindolylmaleimide I",203290,"GF109203X (Bisindolylmaleimide I)"}

> <pdid>
PD007247

> <targets>
{PKC}

> <classes>
{}

> <pubchem_cids>
{2396}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 40 45  0  0  0  0            999 V2000
    9.3884    1.2361    0.0000 C   0  0
   10.2445    2.4678    0.0000 C   0  0
    9.6058    3.8250    0.0000 N   0  0
    8.1110    3.9505    0.0000 C   0  0
    7.2550    2.7188    0.0000 C   0  0
    7.8897    1.3726    0.0000 C   0  0
    7.2749    0.0036    0.0000 N   0  0
    5.8727   -0.5294    0.0000 C   0  0
    6.4440   -1.8462    0.0000 C   0  0
    7.8079   -1.3985    0.0000 C   0  0
    7.3224   -3.0632    0.0000 C   0  0
    8.8156   -2.9119    0.0000 C   0  0
   10.3080   -2.7606    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
    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
    2.4133    1.7530    0.0000 C   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
   -1.2990    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
   10.4598    5.0592    0.0000 C   0  0
   11.9547    4.9363    0.0000 O   0  0
    9.8188    6.4163    0.0000 C   0  0
   10.6706    7.6510    0.0000 C   0  0
   10.0272    9.0060    0.0000 C   0  0
    8.5320    9.1264    0.0000 N   0  0
    7.6802    7.8917    0.0000 C   0  0
    8.3236    6.5367    0.0000 C   0  0
   10.8794   10.2414    0.0000 C   0  0
   12.3747   10.1220    0.0000 F   0  0
   10.2356   11.5962    0.0000 F   0  0
   11.7306   11.4765    0.0000 F   0  0
   12.1657    7.5307    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  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  7  1  0
  9 11  1  0
 11 12  1  0
 12 13  3  0
  9 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 14  1  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 20  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 19  1  0
  3 28  1  0
 28 29  2  0
 28 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
 36 38  1  0
 36 39  1  0
 31 40  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25419

> <plate>
PLATE 004

> <well>
F2

> <supplier_cmpd_name>
Itacitinib

> <ctcr_id>
11543

> <supplier_cmpd_id>
T3998

> <smiles>
C1CN(CCC1N1CC(C1)(CC#N)n1cc(cn1)c1c2cc[nH]c2ncn1)C(=O)c1c(c(ncc1)C(F)(F)F)F

> <pd_targets>
{AXL,JAK2,TYRO3,JAK1,MERTK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase Axl family","Tyrosine protein kinase JakA family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) recep
tor family","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Signal Transduction","Cell Cycle","Immune System",Hemostasis,"Signaling by Receptor Tyrosine Kinases",Mitotic,"Cytokine Signaling in Immune system","Cell surface interactions at the vascular wall","
Signaling by VEGF","Mitotic G1 phase and G1/S transition","Interferon Signaling","VEGFA-VEGFR2 Pathway","G1 Phase","Antiviral mechanism by IFN-stimulated genes","Cyclin D associated events in G1","ISG
15 antiviral mechanism"}

> <broad_targets>
{JAK1}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{Itacitinib,1334298-90-6,1334298906,INCB039110,INCB-039110,UNII-19J3781LPM,UNII19J3781LPM,19J3781LPM,"Itacitinib (INCB39110)","Examlpe 294 (WO2011112662)","Itacitinib (USAN/INN)","Itacitinib (USAN:INN
)",Itacitinib(INCB039110),"Itacitinib; INCB039110",GTPL8364,SCHEMBL2396,T3998}

> <pdid>
PD049362

> <targets>
{JAK1}

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

> <pubchem_cids>
{53380437}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25420

> <plate>
PLATE 004

> <well>
F3

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 40 44  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
   -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
    1.2985    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
    2.6003    1.4978    0.0000 C   0  0
    2.6029    2.9978    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    0.7433    0.0000 C   0  0
    7.7985    1.4933    0.0000 C   0  0
    7.7985    2.9933    0.0000 C   0  0
    6.4995    3.7433    0.0000 C   0  0
    5.2004    2.9933    0.0000 C   0  0
    6.4995    5.2440    0.0000 C   0  0
    7.7973    5.9962    0.0000 C   0  0
    7.7950    7.4962    0.0000 C   0  0
    6.4948    8.2442    0.0000 C   0  0
    5.1969    7.4921    0.0000 C   0  0
    5.1993    5.9921    0.0000 C   0  0
    9.0920    8.2513    0.0000 C   0  0
    9.0875    9.7521    0.0000 N   0  0
   10.3828   10.5088    0.0000 C   0  0
   10.3752   12.0087    0.0000 C   0  0
    9.0724   12.7522    0.0000 O   0  0
    7.7772   11.9957    0.0000 C   0  0
    7.7847   10.4957    0.0000 C   0  0
    6.4994   -0.7575    0.0000 N   0  0
    5.2016   -1.5096    0.0000 C   0  0
    5.2039   -3.0096    0.0000 C   0  0
    6.5042   -3.7576    0.0000 N   0  0
    7.8020   -3.0055    0.0000 C   0  0
    7.7996   -1.5055    0.0000 C   0  0
    6.5065   -5.2576    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
  5  7  1  0
  7  1  1  0
  3  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
  2 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
 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
 23 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
 16 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 34  1  0
 37 40  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25421

> <plate>
PLATE 004

> <well>
F4

> <supplier_cmpd_name>
OICR-9429

> <ctcr_id>
11547

> <supplier_cmpd_id>
T6916

> <smiles>
c1c(c(cc(=O)[nH]1)C(F)(F)F)C(=O)Nc1c(ccc(c1)c1cc(ccc1)CN1CCOCC1)N1CCN(CC1)C

> <pd_targets>
{WDR5}

> <pathway_gtopdb>
{"Other nuclear protein"}

> <pathway_chembl>
{"Other protein targets","WD repeat-containing proteins"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX1","RUNX1 regulates genes involved in megakaryocyte differentiat
ion and platelet function"}

> <broad_targets>
{WDR5}

> <broad_moa>
{"WDR5/MLL interaction inhibitor"}

> <synonyms>
{ICR942,OICR-9429,OICR9429,1801787-56-3,1801787563,CHEMBL3798846,"OICR 9429",GTPL8231,SCHEMBL20896072,BCP18185,EX-A2417,EXA2417,BDBM50164794,MFCD28411621,NSC786093,NSC788992,s7833,AKOS025147341,ZINC23
1558892,CCG-270032,CCG270032,CS-5776,CS5776,NSC-786093,NSC-788992,SB19642,NCGC00371263-02,NCGC0037126302,T6916}

> <pdid>
PD000011

> <targets>
{WDR5}

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

> <pubchem_cids>
{91623360}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 28 29  0  0  0  0            999 V2000
   16.8531   -1.9300    0.0000 K   0  3
    6.8386   -4.4700    0.0000 S   0  0
    8.0476   -5.3578    0.0000 C   0  0
    8.0400   -6.8578    0.0000 S   0  0
    9.2656   -4.4823    0.0000 N   0  0
    8.8094   -3.0534    0.0000 C   0  0
    9.6900   -1.8391    0.0000 O   0  0
    7.3221   -3.0635    0.0000 C   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 O   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 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    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  3
   -3.8983    0.7459    0.0000 O   0  0
   -2.6030    2.9977    0.0000 O   0  5
   10.6892   -4.9496    0.0000 C   0  0
   11.8081   -3.9494    0.0000 C   0  0
   13.2341   -4.4174    0.0000 C   0  0
   14.3525   -3.4178    0.0000 O   0  0
   13.5411   -5.8857    0.0000 O   0  5
  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  2  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 10  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
 18 21  1  0
 21 22  2  0
 21 23  1  0
  5 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
M  CHG  4   1   1  21   1  23  -1  28  -1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25422

> <plate>
PLATE 004

> <well>
F5

> <supplier_cmpd_name>
KYA1797K

> <ctcr_id>
11682

> <supplier_cmpd_id>
T6868

> <smiles>
[K+].S1C(=S)N(C(=O)/C/1=C/c1oc(cc1)c1ccc(cc1)[N+](=O)[O-])CCC(=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{KYA1797K,1956356-56-1,1956356561,"KYA 1797K",EX-A2498,EXA2498,s8327,"KYA1797K potassium salt, >=98 (HPLC)",A16353,T6868}

> <pdid>

> <targets>
{Wnt/¦Â-catenin,Wnt,²-catenin}

> <classes>
{Cytoskeletal Signaling,Stem Cells,Stem Cell/Wnt}

> <pubchem_cids>
{119057297}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 39 43  0  0  0  0            999 V2000
    9.4354   -7.1382    0.0000 C   0  0
    9.0116   -5.6993    0.0000 C   0  0
    7.5536   -5.3469    0.0000 C   0  0
    7.1297   -3.9080    0.0000 C   0  0
    8.1609   -2.8260    0.0000 C   0  0
    9.6219   -3.1739    0.0000 C   0  0
   10.0458   -4.6128    0.0000 C   0  0
    7.8525   -1.3573    0.0000 N   0  0
    8.8523   -0.2390    0.0000 N   0  0
    8.0978    1.0574    0.0000 C   0  0
    6.6317    0.7404    0.0000 C   0  0
    6.4990   -0.7409    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 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 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 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 N   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 O   0  0
   -2.5844    7.5034    0.0000 C   0  0
   -2.5896    6.0034    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
    8.7025    2.4282    0.0000 C   0  0
   10.1936    2.5911    0.0000 C   0  0
    7.8162    3.6384    0.0000 C   0  0
    9.3071    3.8009    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  2  0
 10 11  1  0
 11 12  2  0
 12  8  1  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 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 24  1  0
 20 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 17  1  0
 35 30  1  0
 10 36  1  0
 36 37  1  0
 36 38  1  0
 36 39  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25423

> <plate>
PLATE 004

> <well>
F6

> <supplier_cmpd_name>
Doramapimod

> <ctcr_id>
2076

> <supplier_cmpd_id>
T6277

> <smiles>
Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3ccc(OCCN4CCOCC4)c5ccccc35)C(C)(C)C

> <pd_targets>
{MAPK11,LCK,EGFR,MAPK9,MAPK14,MAPK10,EPHB1,MKNK2,EPHA8,ABL1,KIT,MAP4K4,EPHA5,TNIK,TEK,FLT3,FLT4,PDGFRB,MAPK12,NTRK1,MAPK13,BRAF,CIT,TIE1,CDK19,CDK8,EPHA3,KDR,FGFR1,CDK5,CDC42BPG,EPHA4,YES1,CDC42BPB,CD
C42BPA,PTK2,TNF,PTK2B,NTRK2,MKNK1,PRKCD,EPHB2,RET,PRKCB,FLT1,ANKK1,TTK,EPHA1,MAPK8,DDR2,LTK,LYN,EPHA6,MINK1,FGFR2,FGR,RAF1,FYN,FRK,EPHA7,ACVR1B,GSK3B,RIPK2,EPHA2,MAP3K20,BLK,DDR1,HCK,CDK7,CDK13,CAMK2B
,MUSK,NTRK3,TYRO3,NLK,MAPK1,EPHB3,EPHB4,FER,PDGFRA,STK10,MERTK,CSF1R,SLK,SRC,FGFR4,HTR2A,ABL2,MAPK15,MAP3K7,MARK2,CHEK2,TAB1,PRKD2,ABCB1,HSPB1}

> <pathway_gtopdb>
{Enzyme,"Secreted protein","Membrane receptor",Transporter,"Other cytosolic protein",Kinase,"Family A G protein-coupled receptor","Primary active transporter","Protein Kinase","Small molecule receptor
 (family A GPCR)","ATP-binding cassette","CMGC protein kinase group","TK protein kinase group","CAMK protein kinase group","STE protein kinase group","TKL protein kinase group","AGC protein kinase gro
up","Other protein kinase group","Monoamine receptor","ABCB subfamily","CMGC protein kinase MAPK family","Tyrosine protein kinase Src family","Tyrosine protein kinase EGFR family","Tyrosine protein ki
nase Eph family","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR family","STE protein kinase STE20 family","Tyrosine protein kinase Tie family"
,"Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Trk family","TKL protein kinase RAF family","AGC protein kinase DMPK family","CMGC protein kinase CDK family","Tyrosine protein kinase 
FGFR family","Tyrosine protein kinase Fak family","AGC protein kinase PKC family","Tyrosine protein kinase Ret family","TKL protein kinase RIPK family","Other protein kinase TTK family","Tyrosine prot
ein kinase DDR family","Tyrosine protein kinase Alk family","TKL protein kinase STKR family","CMGC protein kinase GSK family","TKL protein kinase MLK family","CAMK protein kinase CAMK2 family","Tyrosi
ne protein kinase Musk family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Fer family","Serotonin receptor","CAMK protein kinase CAMK1 family","CAMK protein kinase RAD53 family","CAM
K protein kinase PKD family","CMGC protein kinase p38 subfamily","CMGC protein kinase JNK subfamily","CAMK protein kinase MNK subfamily","STE protein kinase MSN subfamily","AGC protein kinase CRIK sub
family","CMGC protein kinase CDK8 subfamily","CMGC protein kinase CDK5 subfamily","AGC protein kinase GEK subfamily","AGC protein kinase PKC delta subfamily","AGC protein kinase PKC alpha subfamily","
Tyrosine protein kinase SrcA","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase CDK7 subfamily","CMGC protein kinase nmo subfamily","CMGC protein kinas
e ERK1","STE protein kinase SLK subfamily","TKL protein kinase TAK1 subfamily","CAMK protein kinase MARK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Kinases (EC 2.7.x.x)","Catalytic receptors","G protein-coupled receptors","ATP-binding cassette transporter family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Re
ceptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","5-Hydroxytryptamine 
receptors","ABCB subfamily","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","MAPK-Activated Protein Kinase (MAPKAPK) family","STE20 family","TKL: Tyrosine kinase-like","DMPK fa
mily","Cyclin-dependent kinase (CDK) family","Protein kinase C (PKC) family","Other protein kinases","Glycogen synthase kinase (GSK) family","CAMK2 family","CAMK-like (CAMKL) family","Protein kinase D
 (PKD) family","p38 subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","JNK subfamily","MKN subfamily","MSN subfamily","RAF family","Other DMPK family kinases","CDK8
 subfamily","CDK5 subfamily","GEK subfamily","Delta subfamily","Alpha subfamily","Receptor interacting protein kinase (RIPK) family","TTK family","Receptor serine/threonine kinase (RSTK) family","GSK 
subfamily","Mixed Lineage Kinase (MLK) family","CDK7 subfamily","CRK7 subfamily","nmo subfamily","ERK subfamily","SLK subfamily","Erk7 subfamily","MARK subfamily","CHK1 subfamily","Src family","Type I
 RTKs: ErbB (epidermal growth factor) receptor family","Type XIII RTKs: Ephrin receptor family","Abl family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XII RTKs: TIE family of angiop
oietin receptors","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type V RTKs: FGF (fibroblast growth factor) receptor fami
ly","Fak family","Type XIV RTKs: RET","Type XVI RTKs: DDR (collagen receptor) family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type I receptor serine/threonine kinases","MLK s
ubfamily","Type IX RTKs: MuSK","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Fer family","TAK1 subfamily"}

> <pathway_reactome>
{"Immune System",Disease,"Signal Transduction","Developmental Biology","Cellular responses to external stimuli",Metabolism,"Gene expression (Transcription)","Cell Cycle","Extracellular matrix organiza
tion","Neuronal System",Hemostasis,"Innate Immune System","Infectious disease","Signaling by GPCR","Nervous system development","Diseases of signal transduction by growth factor receptors and second m
essengers","Cellular responses to stress","MAPK family signaling cascades","Signaling by Receptor Tyrosine Kinases","Intracellular signaling by second messengers","Signaling by Rho GTPases","Metabolis
m of lipids","RNA Polymerase II Transcription","Cytokine Signaling in Immune system",Mitotic,"Non-integrin membrane-ECM interactions","Signaling by NODAL","Transmission across Chemical Synapses","ECM 
proteoglycans","Signaling by WNT","Cell surface interactions at the vascular wall","Abacavir transport and metabolism","Signaling by Nuclear Receptors","Toll-like Receptor Cascades","HIV Infection","G
PCR downstream signalling","Axon guidance","Leishmania infection","Signaling by KIT in disease","Cellular Senescence","MAPK1/MAPK3 signaling","Signaling by Insulin receptor","Signaling by VEGF","PIP3 
activates AKT signaling","Signaling by NTRKs","RHO GTPase Effectors","Regulation of lipid metabolism by PPARalpha","Signaling by NOTCH1 in Cancer","Signaling by FGFR in disease","Generic Transcription
 Pathway","Signaling by Interleukins","Signaling by FGFR","DAG and IP3 signaling","M Phase","Regulation of signaling by NODAL","SARS-CoV Infections","Neurotransmitter receptors and postsynaptic signal
 transmission","Beta-catenin independent WNT signaling","Signaling by SCF-KIT","Signaling by PDGFR in disease","Neutrophil degranulation","GPCR ligand binding","Sphingolipid metabolism","Abacavir tran
smembrane transport","ESR-mediated signaling","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","G alpha (q) signalling events","EPH-Ephrin signaling","Parasite infection","Drug
 resistance of KIT mutants","Oxidative Stress Induced Senescence","RAF/MAP kinase cascade","Insulin receptor signalling cascade","VEGF ligand-receptor interactions","Negative regulation of the PI3K/AK
T network","Signaling by NTRK1 (TRKA)","RHO GTPases activate CIT","PPARA activates gene expression","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","VEGFA-VEGFR2 Pathway","Signaling by FGFR1 in
 disease","Transcriptional Regulation by TP53","Leishmania parasite growth and survival","Interleukin-10 signaling","Interleukin-2 family signaling","Signaling by FGFR4","CaM pathway","RET signaling",
"Mitotic Prophase","Signaling by FGFR2 in disease","PTEN Regulation","SARS-CoV-1 Infection","Transcriptional regulation by RUNX1","HIV Life Cycle","Activation of NMDA receptors and postsynaptic events
","Signaling by NTRK3 (TRKC)","Ca2+ pathway","Drug resistance of PDGFR mutants","Transcriptional Regulation by VENTX","Class A/1 (Rhodopsin-like receptors)","Signaling by ROBO receptors","Toll Like Re
ceptor 4 (TLR4) Cascade","Sphingolipid de novo biosynthesis","Extra-nuclear estrogen signaling","MyD88 cascade initiated on plasma membrane","The role of Nef in HIV-1 replication and disease pathogene
sis","Gastrin-CREB signalling pathway via PKC and MAPK","EPHB-mediated forward signaling","EPHA-mediated growth cone collapse","Leishmania phagocytosis","Dasatinib-resistant KIT mutants","IRS-mediated
 signalling","VEGF binds to VEGFR leading to receptor dimerization",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Signalling to ERKs","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","VEG
FR2 mediated cell proliferation","FGFR1 mutant receptor activation","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishmania parasite infection","Interleukin-2 signaling","Activa
tion of TRKA receptors","Negative regulation of FGFR4 signaling","Calmodulin induced events","Nuclear Envelope Breakdown","FGFR2 mutant receptor activation","Negative regulation of MAPK pathway","Regu
lation of PTEN stability and activity","SARS-CoV-1 Genome Replication and Transcription","RUNX1 regulates transcription of genes involved in BCR signaling","Late Phase of HIV Life Cycle","TP53 Regulat
es Transcription of DNA Repair Genes","Post NMDA receptor activation events","Activated NTRK3 signals through PI3K","Imatinib-resistant PDGFR mutants","Downstream signaling of activated FGFR4","Amine 
ligand-binding receptors","Role of ABL in ROBO-SLIT signaling","MyD88-independent TLR4 cascade","MAP kinase activation","Nef-mediates down modulation of cell surface receptors by recruiting them to cl
athrin adapters","EGFR Transactivation by Gastrin","FCGR3A-mediated phagocytosis","PI3K Cascade","Signalling to RAS","Prolonged ERK activation events","Signaling by activated point mutants of FGFR1","
Regulation of TP53 Activity through Phosphorylation","FCGR3A-mediated IL10 synthesis","NGF-independant TRKA activation","Spry regulation of FGF signaling","Depolymerisation of the Nuclear Lamina","Act
ivated point mutants of FGFR2","Negative feedback regulation of MAPK pathway","Nef and signal transduction","Replication of the SARS-CoV-1 genome","Transcription of the HIV genome","CREB1 phosphorylat
ion through NMDA receptor-mediated activation of RAS signaling","FRS-mediated FGFR4 signaling","Serotonin receptors","TRIF(TICAM1)-mediated TLR4 signaling","Regulation of TP53 Expression and Degradati
on","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","p38MAPK events","ARMS-mediated activation","activated TAK1 mediates p38 MAPK activation","HIV Transcripti
on Elongation","Ras activation upon Ca2+ influx through NMDA receptor","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Regulation of TP53 Degradation","Activation of the AP-1 family of
 transcription factors","Tat-mediated elongation of the HIV-1 transcript","ERK/MAPK targets","Formation of HIV-1 elongation complex containing HIV-1 Tat","ERKs are inactivated"}

> <broad_targets>
{MAPK11,MAPK12,MAPK13,MAPK14}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{Doramapimod,285983-48-4,285983484,"285983 48 4","BIRB 796",BIRB-796,BIRB796,"BIRB 796 (Doramapimod)",UNII-HO1A8B3YVV,UNIIHO1A8B3YVV,"UNII HO1A8B3YVV",HO1A8B3YVV,"BIRB-796 BS","BIRB796 BS","BIRB 796 B
S",CHEMBL103667,CHEBI:40953,C31,T6277,S1574}

> <pdid>
PD003343

> <targets>
{"p38 MAPK"}

> <classes>
{MAPK}

> <pubchem_cids>
{156422}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 23 24  0  0  0  0            999 V2000
    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 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
   -4.0317   -0.7359    0.0000 S   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -6.1032   -2.4253    0.0000 S   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
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
    3.8912   -5.2578    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5109    0.0000 C   0  0
  1  2  2  0
  1  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
  8 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 12  1  0
 17 18  2  0
  6 19  1  0
 19 20  1  0
  1 21  1  0
 21 22  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25424

> <plate>
PLATE 004

> <well>
F7

> <supplier_cmpd_name>
IMR-1

> <ctcr_id>
11683

> <supplier_cmpd_id>
T6861

> <smiles>
C(=O)(COc1c(cc(cc1)/C=C/1\SC(=S)NC1=O)OC)OCC

> <pd_targets>
{NOTCH1}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{"Other protein targets","Notch receptors"}

> <pathway_reactome>
{Disease,"Diseases of metabolism","Diseases of glycosylation","Diseases associated with O-glycosylation of proteins","Defective LFNG causes SCDO3"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MR,310456-65-6,310456656,SCHEMBL18102845,HMS3886L08,s8280,STK751326,ZINC12413404,AKOS000613190,CCG-268066,CCG268066,MCULE-5880004299,MCULE5880004299,AB00084071-01,AB0008407101,AB00084071-02,AB0008407
102,T6861,IMR-1}

> <pdid>
PD071577

> <targets>
{Notch}

> <classes>
{Neuroscience,Proteases/Proteasome,"Stem Cells"}

> <pubchem_cids>
{1246061}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 25 28  0  0  0  0            999 V2000
    6.4445  -10.8846    0.0000 C   0  0
    6.4131   -9.3849    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
    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 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
    2.5532   -4.4223    0.0000 C   0  0
    6.3147   -4.8866    0.0000 C   0  0
    6.3491   -6.3862    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  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  2  0
 25  4  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25425

> <plate>
PLATE 004

> <well>
F8

> <supplier_cmpd_name>
JK184

> <ctcr_id>
7605

> <supplier_cmpd_id>
T3588

> <smiles>
CCOc1ccc(Nc2scc(n2)c3n4ccccc4nc3C)cc1

> <pd_targets>
{SHH}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Hh mutants abrogate ligand secretion","HHAT G278V doesn't palmitoylate Hh-Np"}

> <broad_targets>
{}

> <broad_moa>
{"hedgehog pathway inhibitor"}

> <synonyms>
{315703-52-7,315703527,JK184,"JK 184","N-(4-ethoxyphenyl)-4-(2-methylimidazo(1,2-a)pyridin-3-yl)thiazol-2-amine","N(4ethoxyphenyl)4(2methylimidazo(1,2a)pyridin3yl)thiazol2amine",JK-184,C19H18N4OS,CHEM
BL514622,"N-(4-ethoxyphenyl)-4-(2-methylimidazo(1,2-a)pyridin-3-yl)-2-thiazolamine","N(4ethoxyphenyl)4(2methylimidazo(1,2a)pyridin3yl)2thiazolamine",N-(4-Ethoxyphenyl)-4-(2-methylimidazo,N(4Ethoxyphen
yl)4(2methylimidazo,T3588,nan}

> <pdid>
PD015738

> <targets>
{""}

> <classes>
{}

> <pubchem_cids>
{1069686}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 30 32  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
   -5.6930   -5.6204    0.0000 C   0  0
   -6.7088   -6.7241    0.0000 C   0  0
   -5.2453   -7.0520    0.0000 C   0  0
   -7.1567   -5.2927    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
    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  0  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
    3.8872    5.2571    0.0000 C   0  0
    5.1832    6.0124    0.0000 C   0  0  1  0  0  0
    5.1770    7.5124    0.0000 O   0  0
    6.4853    5.2677    0.0000 C   0  0
    6.4914    3.7677    0.0000 C   0  0  2  0  0  0
    7.7935    3.0231    0.0000 O   0  0
    5.1955    3.0124    0.0000 C   0  0
    5.2017    1.5124    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
  6  7  1  0
  6  8  1  0
  6  9  1  0
  2 10  1  0
 10 11  1  1
 11 12  1  0
 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 10  1  0
 18 13  1  0
 18 19  1  6
 14 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  1
 24 26  1  0
 26 27  1  0
 27 28  1  6
 27 29  1  0
 29 22  1  0
 29 30  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25426

> <plate>
PLATE 004

> <well>
F9

> <supplier_cmpd_name>
Calcitriol

> <ctcr_id>
7781

> <supplier_cmpd_id>
T6316

> <smiles>
C[C@H](CCCC(C)(C)O)[C@@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@H](O)C3=C

> <pd_targets>
{VDR,TGR,MAPK1,RORC,MAPT,GC,FTL,RXRA,VDRA,ABCB11}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Other cytosolic protein","Secreted protein","Unclassified protein",Transporter,"Nuclear receptor",Kinase,"Primary active transporter","Nuclear hormone receptor subfamil
y 1","Protein Kinase","ATP-binding cassette","Nuclear hormone receptor subfamily 1 group I","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","ABCB subfamily","Nuclear hormone
 receptor subfamily 1 group I member 1","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase ERK1"}

> <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","CMGC: Containing CDK",MAPK,GSK3,"C
LK families","1F. Retinoic acid-related orphans","ABCB subfamily","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Metabolism of proteins","Immune System","Gene expression (Transcription)","Neuronal System",Metabolism,"Vesicle-mediated transport","Post-translational protein modification","Innate Immune System","
RNA Polymerase II Transcription","Transmission across Chemical Synapses","Metabolism of lipids","Membrane Trafficking",SUMOylation,"Toll-like Receptor Cascades","Generic Transcription Pathway","Neurot
ransmitter receptors and postsynaptic signal transmission","Metabolism of steroids","trans-Golgi Network Vesicle Budding","SUMO E3 ligases SUMOylate target proteins","Toll Like Receptor 5 (TLR5) Casca
de","Transcriptional regulation by RUNX3","Activation of NMDA receptors and postsynaptic events","Vitamin D (calciferol) metabolism","Golgi Associated Vesicle Biogenesis","Bile acid and bile salt meta
bolism","SUMOylation of intracellular receptors","MyD88 cascade initiated on plasma membrane","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA receptor activation events","Synthesis of 
bile acids and bile salts","MAP kinase activation","Activation of AMPK downstream of NMDARs","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAPK targets/ Nuclear events mediat
ed by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{VDR}

> <broad_moa>
{"vitamin D receptor agonist"}

> <synonyms>
{W219083,SW219083-1,SW2190831,S1466,Calcitriol}

> <pdid>
PD003123

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6439628}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 21 22  0  0  0  0            999 V2000
    6.4983   -0.7414    0.0000 O   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
   -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 S   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
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  2  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  2  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  1  0
 18 19  2  0
 19  6  1  0
 19 20  1  0
 20 21  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25427

> <plate>
PLATE 004

> <well>
F10

> <supplier_cmpd_name>
IMR-1A

> <ctcr_id>
11684

> <supplier_cmpd_id>
T3540

> <smiles>
O=C(O)COc1ccc(/C=C/2\SC(=S)NC2=O)cc1OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MR1,IMR-1A,IMR1A,331862-41-0,331862410,SCHEMBL12892139,ZINC1194784,STK177599,STL559471,AKOS000288029,BIM-0027091.P001,BIM0027091.P001,T3540}

> <pdid>
PD065058

> <targets>
{Notch}

> <classes>
{Neuroscience,Proteases/Proteasome,"Stem Cells"}

> <pubchem_cids>
{1354723}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 25 27  0  0  0  0            999 V2000
   12.4289  -10.2253    0.0000 C   0  0
   11.1294  -10.9745    0.0000 C   0  0
   11.1290  -12.4745    0.0000 C   0  0
   12.4281  -11.7250    0.0000 C   0  0
    9.8319  -10.2254    0.0000 C   0  0
    9.6751   -8.7336    0.0000 O   0  0
    8.2168   -8.4417    0.0000 C   0  0
    7.6035   -7.0719    0.0000 C   0  0
    6.1107   -6.9172    0.0000 S   0  0
    5.4984   -5.5497    0.0000 C   0  0
    4.0312   -5.2378    0.0000 S   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 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2447   -3.1359    0.0000 N   0  0
    6.2484   -4.2507    0.0000 C   0  0
    7.4579   -9.7208    0.0000 N   0  0
    8.4616  -10.8355    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  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
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 12 22  2  0
 22 23  1  0
 23 10  2  0
  7 24  2  0
 24 25  1  0
 25  5  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25428

> <plate>
PLATE 004

> <well>
F11

> <supplier_cmpd_name>
SNS-032

> <ctcr_id>
2475

> <supplier_cmpd_id>
T6049

> <smiles>
CC(C)(C)c1oc(CSc2sc(NC(=O)C3CCNCC3)nc2)nc1

> <pd_targets>
{MAPK6,BRSK2,MAK,HIPK2,CDK1,CIT,CDK9,CCNB1,FLT3,CSNK1E,AURKA,CDKL2,MAP3K7,CCNE1,CDK2,MKNK1,CDK19,CDK8,AURKC,CLK1,CDK7,CLK2,CDK5,CDK3,CDK16,CDK14,DCLK3,DCLK1,STK17A,DYRK1B,MAPK4,CCNH,CSNK1D,DYRK2,DYRK1
A,MYLK3,CCND1,CDK4,IRAK3,CCNE2,PRKD1,CDKL5,HIPK3,RIOK2,PRKD3,GSK3A,MELK,MAPK10,CDK11A,CLK4,DCLK2,STK36,GAK,CDK17,PAK3,CDK15,HIPK1,PHKG2,MKNK2,MYLK2,COQ8B,TAOK3,NUAK2,MAPK15,PRKD2,TGFBR2,PHKG1,MYLK4,PR
KAA1,BRAF,CASK,TAOK2,MYLK,CSNK1A1,CCND2,CCND3,MAPK7,GSK3B,MAST1,TAOK1,RPS6KA5,CDK11B,CCNB2,CCNB3,CDKL3,CCNT1,ULK1,CILK1,CDK13,FLT1,CDK18,CCNA2,MNAT1,CDK5R1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CAMK protein kinase group","AGC protein kinase group","TK protein kinase group","CK1 protein kinase group","Other protein kinase group","TK
L protein kinase group","Atypical protein kinase group","STE protein kinase group","CMGC protein kinase MAPK family","CAMK protein kinase CAMK1 family","CMGC protein kinase RCK family","CMGC protein k
inase DYRK family","CMGC protein kinase CDK family","AGC protein kinase DMPK family","Tyrosine protein kinase PDGFR family","CK1 protein kinase CK1 family","Other protein kinase AUR family","CMGC prot
ein kinase CDKL family","TKL protein kinase MLK family","CAMK protein kinase MAPKAPK family","CMGC protein kinase CLK family","CAMK protein kinase DCAMK1 family","CAMK protein kinase DAPK family","CAM
K protein kinase MLCK family","TKL protein kinase IRAK family","CAMK protein kinase PKD family","Atypical protein kinase RIO family","CMGC protein kinase GSK family","Other protein kinase ULK family",
"Other protein kinase NAK family","STE protein kinase STE20 family","CAMK protein kinase PHk family","Atypical protein kinase ABC1 family","TKL protein kinase STKR family","TKL protein kinase RAF fami
ly","AGC protein kinase MAST family","AGC protein kinase RSK family","Tyrosine protein kinase VEGFR family","CMGC protein kinase ERK3","CAMK protein kinase BRSK subfamily","CMGC protein kinase MAK","C
MGC protein kinase HIPK subfamily","CMGC protein kinase CDC2 subfamily","AGC protein kinase CRIK subfamily","CMGC protein kinase CDK9 subfamily","TKL protein kinase TAK1 subfamily","CAMK protein kinas
e MNK subfamily","CMGC protein kinase CDK8 subfamily","CMGC protein kinase CDK7 subfamily","CMGC protein kinase CDK5 subfamily","CMGC protein kinase TAIRE subfamily","CMGC protein kinase PFTAIRE","CMG
C protein kinase Dyrk1 subfamily","CMGC protein kinase Dyrk2 subfamily","Atypical protein kinase RIO2 subfamily","CAMK protein kinase MELK subfamily","CMGC protein kinase JNK subfamily","CMGC protein 
kinase PITSLRE subfamily","CMGC protein kinase PCTAIRE","STE protein kinase PAKA subfamily","Atypical protein kinase ABC1-A subfamily","STE protein kinase TAO subfamily","CAMK protein kinase NuaK subf
amily","TKL protein kinase STKR Type 2 subfamily","CAMK protein kinase AMPK subfamily","CMGC protein kinase ERK5","AGC protein kinase MSK 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","AGC: Containing PKA",PKG,"PKC fami
lies","Receptor kinases","CK1: Casein kinase 1",Atypical,"STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Mitogen-activated protein kinases (MAP kinases)","CAMK-like (CAMKL) famil
y","RCK family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Cyclin-dependent kinase (CDK) family","DMPK family","TK: Tyrosine kinase","Casein kinase 1 (CK1) family"
,"Other protein kinases","Cyclin-dependent kinase-like (CDKL) family","TKL: Tyrosine kinase-like","MAPK-Activated Protein Kinase (MAPKAPK) family","CLK family","DCAMKL family","Death-associated kinase
 (DAPK) family","Myosin Light Chain Kinase (MLCK) family","Protein kinase D (PKD) family","RIO family","Glycogen synthase kinase (GSK) family","STE20 family","Phosphorylase kinase (PHK) family","ABC1 
family","CASK family","MAST family","RSK family","ERK subfamily","BRSK subfamily","HIPK subfamily","CDK1 subfamily","Other DMPK family kinases","CDK9 subfamily","Receptor tyrosine kinases (RTKs)","Aur
ora kinase (Aur) family","Mixed Lineage Kinase (MLK) family","MKN subfamily","CDK8 subfamily","CDK7 subfamily","CDK5 subfamily","TAIRE subfamily","Dyrk1 subfamily","Dyrk2 subfamily","Interleukin-1 rec
eptor-associated kinase (IRAK) family","CDK4 subfamily","RIO2 subfamily","GSK subfamily","MELK subfamily","JNK subfamily","PITSLRE subfamily","Unc-51-like kinase (ULK) family","Numb-associated kinase 
(NAK) family","PAKA subfamily","ABC1-B subfamily","TAO subfamily","NuaK subfamily","Erk7 subfamily","Receptor serine/threonine kinase (RSTK) family","AMPK subfamily","RAF family","MSK subfamily","CRK7
 subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","TAK1 subfamily","Type II receptor serine/threonine kinases","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family
"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Cell Cycle",Disease,"Immune System",Metabolism,"Metabolism of RNA","Vesicle-mediated transport","Developmental Biology","Neuronal System",Auto
phagy,"MAPK family signaling cascades","RNA Polymerase II Transcription",Mitotic,"Signaling by Rho GTPases","Infectious disease","Signaling by Receptor Tyrosine Kinases","Innate Immune System","Metabo
lism of lipids","Diseases of signal transduction by growth factor receptors and second messengers","rRNA processing","Membrane Trafficking","Nervous system development","Metabolism of carbohydrates","
Transmission across Chemical Synapses",Macroautophagy,"MAPK6/MAPK4 signaling","Generic Transcription Pathway","Regulation of mitotic cell cycle","RHO GTPase Effectors","HIV Infection","Signaling by In
sulin receptor","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","Signaling by FGFR","Regulation of lipid metabolism by PPARalpha","Signaling by NOTCH1 in Cancer","Mitotic G1 phase and G1/S tran
sition","Sphingolipid metabolism","rRNA processing in the nucleus and cytosol","SARS-CoV Infections","trans-Golgi Network Vesicle Budding","Axon guidance","Glycogen metabolism","Signaling by TGF-beta 
Receptor Complex in Cancer","Signaling by NTRKs","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by WNT in cancer","M Phase","Selective autophagy","Signaling by VEGF","Tra
nscriptional Regulation by TP53","APC/C-mediated degradation of cell cycle proteins","RHO GTPases activate CIT","HIV Life Cycle","Insulin receptor signalling cascade","G2/M Transition","Toll Like Rece
ptor 4 (TLR4) Cascade","Signaling by FGFR4","PPARA activates gene expression","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","G0 and Early G1","Toll Like Receptor 2 (TLR2) Cascade","Sphingolip
id de novo biosynthesis","G1 Phase","Major pathway of rRNA processing in the nucleolus and cytosol","SARS-CoV-1 Infection","Toll Like Receptor 5 (TLR5) Cascade","Golgi Associated Vesicle Biogenesis","
EPH-Ephrin signaling","Glycogen breakdown (glycogenolysis)","Loss of Function of SMAD2/3 in Cancer","Signaling by NTRK1 (TRKA)","Activation of NMDA receptors and postsynaptic events","RHO GTPases acti
vate PAKs","Signaling by AMER1 mutants","Mitotic Metaphase and Anaphase",Mitophagy,"VEGF ligand-receptor interactions","Regulation of TP53 Activity","Activation of APC/C and APC/C:Cdc20 mediated degra
dation of mitotic proteins","Late Phase of HIV Life Cycle","IRS-mediated signalling","Centrosome maturation","MyD88-independent TLR4 cascade","Negative regulation of FGFR4 signaling","Constitutive Sig
naling by NOTCH1 HD+PEST Domain Mutants","Toll Like Receptor TLR6:TLR2 Cascade","Cyclin D associated events in G1","SARS-CoV-1 Genome Replication and Transcription","MyD88 cascade initiated on plasma 
membrane","Ephrin signaling","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Signalling to ERKs","Assembly and cell surface presentation of NMDA receptors","Truncations of AMER1 destabilize the des
truction complex","Mitotic Anaphase","Receptor Mediated Mitophagy","TP53 Regulates Transcription of DNA Repair Genes","VEGF binds to VEGFR leading to receptor dimerization","Regulation of TP53 Activit
y through Phosphorylation","APC/C:Cdc20 mediated degradation of mitotic proteins","Transcription of the HIV genome","PI3K Cascade","Loss of proteins required for interphase microtubule organization fr
om the centrosome","TRIF(TICAM1)-mediated TLR4 signaling","Spry regulation of FGF signaling","Regulation of TP53 Expression and Degradation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Re
plication of the SARS-CoV-1 genome","MAP kinase activation","Recruitment of mitotic centrosome proteins and complexes","Prolonged ERK activation events","Separation of Sister Chromatids","APC:Cdc20 me
diated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","HIV Transcription Elongation","Loss of Nlp from mitotic centrosomes","TRAF6-mediated induction of TAK1 com
plex within TLR4 complex","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","ARMS-mediated activation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Tat
-mediated elongation of the HIV-1 transcript","Activation of the AP-1 family of transcription factors","ERK/MAPK targets","CREB phosphorylation","Formation of HIV-1 elongation complex containing HIV-1
 Tat","ERKs are inactivated"}

> <broad_targets>
{CDK2,CDK7,CDK9}

> <broad_moa>
{"CDK inhibitor","cell cycle inhibitor","MCL1 inhibitor"}

> <synonyms>
{MS38703,SNS-032,SNS032,345627-80-7,345627807,BMS-387032,BMS387032,"SNS 032","BMS 387032","SNS-032 (BMS-387032)","SNS032 (BMS387032)",UNII-9979I93686,UNII9979I93686,"SNS-032 (hydrochloride)","SNS032 (
hydrochloride)",CHEMBL296468,C17H24N4O2S2,"345627-80-7 (free base)","345627807 (free base)",9979I93686,BMS-387072,BMS387072,Kinome_3820,Kinome3820,Kinome-3820,"Kinome 3820",PubChem16670,Tube004,c,T604
9,S1145,SNS-032(BMS-387032)}

> <pdid>
PD003662

> <targets>
{CDK,Apoptosis}

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

> <pubchem_cids>
{3025986}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25429

> <plate>
PLATE 004

> <well>
G2

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 30 35  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
   -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 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.6011   -3.0008    0.0000 N   0  0
   -1.3034   -3.7547    0.0000 C   0  0
    0.0488   -3.7791    0.0000 C   0  0
    0.7466   -4.8860    0.0000 N   0  0
    0.4044   -6.4977    0.0000 C   0  0
   -1.0330   -6.5013    0.0000 C   0  0
   -0.5907   -4.9503    0.0000 C   0  0
    1.1704   -4.4619    0.0000 C   0  0
    2.3234   -4.6798    0.0000 C   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
   -6.5492   -0.8815    0.0000 N   0  0
   -7.5504   -1.9974    0.0000 C   0  0
   -9.0504   -1.9998    0.0000 C   0  0
   -9.7983   -3.3000    0.0000 C   0  0
   -9.0462   -4.5979    0.0000 C   0  0
   -7.5462   -4.5955    0.0000 C   0  0
   -6.7983   -3.2953    0.0000 C   0  0
   -5.3323   -2.9815    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  3
 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
 17 18  1  0
 18 19  1  0
 19 14  1  0
 10 20  1  0
 20  5  1  0
 20 21  2  0
 21  2  1  0
  9 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 22  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25430

> <plate>
PLATE 004

> <well>
G3

> <supplier_cmpd_name>
CHIR-124

> <ctcr_id>
6676

> <supplier_cmpd_id>
T6350

> <smiles>
Clc1ccc2NC(=O)C(=C(NC3CN4CCC3CC4)c2c1)c5[nH]c6ccccc6n5

> <pd_targets>
{CHEK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase CAMK1 family","CAMK protein kinase CHK1 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","CAMK-like (CAMKL) family","CHK1 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>
{CHEK1}

> <broad_moa>
{"CHK inhibitor"}

> <synonyms>
{HIR12,SCHEMBL15105373,HMS3656F13,FT-0771009,FT0771009,T6350,S2683,CHIR-124}

> <pdid>
PD005860

> <targets>
{Chk}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{135674135}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 26 27  0  0  1  0            999 V2000
   11.6192    2.6969    0.0000 C   0  0
   10.6004    1.5959    0.0000 C   0  0
   11.0451    0.1633    0.0000 C   0  0
    9.1366    1.9269    0.0000 C   0  0  2  0  0  0
    8.6920    3.3595    0.0000 O   0  0
    8.1173    0.8252    0.0000 C   0  0
    8.5619   -0.6073    0.0000 O   0  0
    6.6534    1.1562    0.0000 N   0  0
    5.6342    0.0546    0.0000 C   0  0  1  0  0  0
    6.0788   -1.3780    0.0000 C   0  0
    4.1703    0.3856    0.0000 C   0  0
    3.7257    1.8182    0.0000 O   0  0
    3.1510   -0.7161    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0  2  0  0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5242    2.0130    0.0000 O   0  0
    0.0000    1.7286    0.0000 N   0  0
    0.0000    3.2286    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  1  0
  2  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  1
  9 11  1  0
 11 12  2  0
 11 13  1  0
 14 13  1  1
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  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 14  1  0
 26 21  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25431

> <plate>
PLATE 004

> <well>
G4

> <supplier_cmpd_name>
Semagacestat

> <ctcr_id>
7153

> <supplier_cmpd_id>
T6125

> <smiles>
CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc12

> <pd_targets>
{APH1A,APH1B,NCSTN,PSEN1,PSEN2,PSENEN}

> <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"}

> <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>
{PSEN1}

> <broad_moa>
{"gamma secretase inhibitor"}

> <synonyms>
{Semagacestat,425386-60-3,425386603,LY450139,"Semagacestat (LY450139)",LY-450139,"LY 450139",UNII-3YN0602W4W,UNII3YN0602W4W,866488-53-1,866488531,3YN0602W4W,"Semagacestat (USAN:INN)",PubChem20549,"Sem
agacestat (USAN/INN)","Semagacestat; LY450139",cc-411,cc411,MLS00601018,T6125,S1594,semagacestat}

> <pdid>
PD003375

> <targets>
{Gamma-secretase,Amyloid-²,Notch,³-secretase}

> <classes>
{Neuronal Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{9843750}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25432

> <plate>
PLATE 004

> <well>
G5

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 32 35  0  0  0  0            999 V2000
    9.3995    2.9303    0.0000 C   0  0
   10.2430    1.6899    0.0000 O   0  0
   10.0528    4.2815    0.0000 C   0  0
   11.5486    4.3944    0.0000 C   0  0
   12.1987    5.7462    0.0000 C   0  0
   11.3531    6.9851    0.0000 C   0  0
    9.8574    6.8723    0.0000 C   0  0
    9.2072    5.5205    0.0000 C   0  0
    9.0088    8.1102    0.0000 O   0  0
    7.5132    7.9952    0.0000 C   0  0
   13.6951    5.8622    0.0000 O   0  0
   14.3433    7.2149    0.0000 C   0  0
    7.9028    2.8195    0.0000 N   0  0
    7.2495    1.4683    0.0000 C   0  0
    5.7538    1.3554    0.0000 C   0  0
    5.1072    0.0000    0.0000 C   0  0
    5.9493   -1.2353    0.0000 C   0  0
    7.4450   -1.1224    0.0000 C   0  0
    8.0952    0.2294    0.0000 C   0  0
    5.2988   -2.5869    0.0000 Cl  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 N   0  0
   -3.8983    0.7459    0.0000 C   0  0
   -2.6030    2.9977    0.0000 C   0  0
  1  2  2  0
  1  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
  5 11  1  0
 11 12  1  0
  1 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
 16 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 21  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 23  1  0
 27 30  1  0
 30 31  1  0
 30 32  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25433

> <plate>
PLATE 004

> <well>
G6

> <supplier_cmpd_name>
HhAntag

> <ctcr_id>
11685

> <supplier_cmpd_id>
T3460

> <smiles>
C(=O)(c1cc(cc(c1)OC)OC)Nc1cc(c(cc1)Cl)c1nc2c([nH]1)cc(cc2)N(C)C

> <pd_targets>
{SHH,SMO}

> <pathway_gtopdb>
{"Unclassified protein","Membrane receptor","Frizzled family G protein-coupled receptor","Smoothened receptor (frizzled family GPCR)"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Class Frizzled GPCRs"}

> <pathway_reactome>
{Disease,"Organelle biogenesis and maintenance","Diseases of signal transduction by growth factor receptors and second messengers","Cilium Assembly","Hh mutants abrogate ligand secretion","Cargo traff
icking to the periciliary membrane","HHAT G278V doesn't palmitoylate Hh-Np","BBSome-mediated cargo-targeting to cilium"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HhAntag,496794-70-8,496794708,"GLI1-mediated transcription inhibitor","GLI1mediated transcription inhibitor",CHEMBL516246,SCHEMBL2157955,DTXSID90432730,EX-A812,EXA812,HMS3741M07,BCP21219,BDBM50249520
,MFCD27918645,ZINC40917821,AKOS032961100,CS-1233,CS1233,NCGC00378698-01,NCGC0037869801,HY-15412,HY15412,J3.506.077D,A12418,W-6093,W6093,Hh-,Hh,T3460}

> <pdid>
PD012585

> <targets>
{Gli}

> <classes>
{"GPCR/G Protein","Stem Cells"}

> <pubchem_cids>
{9911630}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 27 30  0  0  0  0            999 V2000
    2.5944   -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 N   0  0
    6.4915   -5.2571    0.0000 C   0  0
    7.7905   -6.0071    0.0000 O   0  0
    5.1924   -6.0070    0.0000 N   0  0
    5.1925   -1.5063    0.0000 C   0  0
    3.8947   -0.7541    0.0000 C   0  0
    3.8971    0.7459    0.0000 C   0  0
    5.1974    1.4938    0.0000 C   0  0
    6.4952    0.7417    0.0000 C   0  0
    6.4928   -0.7583    0.0000 C   0  0
    5.1998    2.9938    0.0000 F   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
   -2.4133    1.7530    0.0000 N   0  0
   -1.8032    3.1233    0.0000 N   0  0
   -0.3115    2.9665    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
  6  8  1  0
  8  2  1  0
  4  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
  3 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
 22 25  1  0
 25 26  1  0
 26 27  2  0
 27 21  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25435

> <plate>
PLATE 004

> <well>
G8

> <supplier_cmpd_name>
GSK180736A

> <ctcr_id>
11646

> <supplier_cmpd_id>
T3513

> <smiles>
CC1=C(C(NC(=O)N1)c1ccc(cc1)F)C(=O)Nc1cc2c(cc1)[nH]nc2

> <pd_targets>
{GRK2,ROCK1,RPS6KA1,RPS6KB1,GRK5}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase GRK family","AGC protein kinase DMPK family","AGC protein kinase RSK family","AGC protein kinase BARK subfamily","AGC pro
tein kinase ROCK subfamily","AGC protein kinase RSK subfamily","AGC protein kinase p70 subfamily","AGC protein kinase GRK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","AGC: Containing PKA",PKG,"PKC families","G protein-coupled receptor kinases (GRKs)","DMPK family","RSK family","Beta-adrenergic receptor kinases (&beta;ARKs)","Rho kin
ase","RSK subfamily","p70 subfamily","GRK4 subfamily"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology","Immune System","Intracellular signaling by second messengers","Nervous system development","Innate Immune System","MTOR signalling","Signaling by GPCR",
"DAG and IP3 signaling","Axon guidance","Toll-like Receptor Cascades","mTORC1-mediated signalling","GPCR downstream signalling","CaM pathway","Semaphorin interactions","Toll Like Receptor 5 (TLR5) Cas
cade","G alpha (q) signalling events","Calmodulin induced events","Sema4D in semaphorin signaling","MyD88 cascade initiated on plasma membrane","Sema4D induced cell migration and growth-cone collapse"
,"MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","CREB phosphorylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{GSK180736A,817194-38-0,817194380,GSK-180736A,CHEMBL384073,SCHEMBL2569804,HMS3303C07,HMS3305J10,BCP25022,EX-A2531,EXA2531,BDBM50173320,NSC756146,s8489,CCG-268228,CCG268228,CS-6388,CS6388,NSC-756146,NC
GC00241970-01,NCGC0024197001,BS-17604,BS17604,HY-18990,HY18990,AK00783572,AB01092186-01,AB0109218601,T3513}

> <pdid>
PD004056

> <targets>
{ROCK,GRK1,GRK2,GRK5,PKA}

> <classes>
{"Cell Cycle/Checkpoint","GPCR/G Protein","Stem Cells"}

> <pubchem_cids>
{11233873}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 55 62  0  0  0  0            999 V2000
    2.5577    6.9866    0.0000 C   0  0
    1.3657    6.0760    0.0000 C   0  0
    1.1734    7.5636    0.0000 C   0  0
   -0.0187    6.6535    0.0000 O   0  0
    1.5585    4.5902    0.0000 C   0  0
    0.4685    3.5597    0.0000 C   0  0
    1.1118    2.2046    0.0000 C   0  0
    2.5557    2.4438    0.0000 C   0  0
    4.0154    2.7894    0.0000 C   0  0
    2.8754    3.8720    0.0000 O   0  0
    2.1287    1.0052    0.0000 C   0  0
    3.0157    0.0000    0.0000 C   0  0
    4.5110    0.1184    0.0000 O   0  0
    2.1287   -1.3994    0.0000 C   0  0
    0.7096   -0.9264    0.0000 C   0  0
    0.8750   -2.4172    0.0000 C   0  0
   -0.5322   -1.6754    0.0000 C   0  0
   -0.5322   -3.1734    0.0000 C   0  0
   -1.8331   -3.9027    0.0000 C   0  0
   -1.8300   -5.4039    0.0000 O   0  0
   -0.5292   -6.1525    0.0000 C   0  0
    0.7674   -5.3980    0.0000 O   0  0
    2.0690   -6.1435    0.0000 C   0  0
    3.3646   -5.3860    0.0000 C   0  0
    3.3573   -3.8860    0.0000 O   0  0
    2.0742   -7.6435    0.0000 C   0  0
    3.3758   -8.3890    0.0000 O   0  0
    0.7777   -8.3980    0.0000 C   0  0
    0.7829   -9.8980    0.0000 O   0  0
   -0.5239   -7.6525    0.0000 C   0  0
   -1.8203   -8.4070    0.0000 O   0  0
   -3.1340   -3.1734    0.0000 C   0  0
   -4.4151   -3.9027    0.0000 C   0  0
   -3.0984   -4.6211    0.0000 C   0  0
   -5.7318   -4.6213    0.0000 C   0  0
   -5.6963   -3.1734    0.0000 C   0  0
   -5.6963   -1.6754    0.0000 C   0  0
   -4.4151   -0.9264    0.0000 C   0  0
   -3.1340   -1.6754    0.0000 C   0  0
   -3.1340    0.0394    0.0000 C   0  0
   -1.8528   -0.8870    0.0000 C   0  0
   -1.8331    0.5322    0.0000 C   0  0
   -0.5322    1.2812    0.0000 C   0  0
    0.7096    0.5322    0.0000 C   0  0
    0.8199    1.5261    0.0000 C   0  0
   -6.9921   -3.9307    0.0000 O   0  0
   -8.2964   -3.1881    0.0000 C   0  0
   -8.3023   -1.6881    0.0000 O   0  0
   -9.6043   -0.9432    0.0000 C   0  0
  -10.9004   -1.6983    0.0000 C   0  0
  -12.2024   -0.9534    0.0000 O   0  0
  -10.8945   -3.1983    0.0000 C   0  0
  -12.1906   -3.9533    0.0000 O   0  0
   -9.5925   -3.9431    0.0000 C   0  0
   -9.5867   -5.4431    0.0000 O   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  1  0
  8  9  1  0
  8 10  1  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 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
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 28 30  1  0
 30 21  1  0
 30 31  1  0
 19 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 32  1  0
 39 40  1  0
 40 41  1  0
 41 17  1  0
 41 39  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 11  1  0
 44 15  1  0
 44 45  1  0
 36 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 50 52  1  0
 52 53  1  0
 52 54  1  0
 54 47  1  0
 54 55  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25436

> <plate>
PLATE 004

> <well>
G9

> <supplier_cmpd_name>
Astragaloside A

> <ctcr_id>
6700

> <supplier_cmpd_id>
T6395

> <smiles>
CC(C)(O)C1CCC(C)(O1)C2C(O)CC3(C)C4CC(OC5OC(CO)C(O)C(O)C5O)C6C(C)(C)C(CCC67CC47CCC23C)OC8OCC(O)C(O)C8O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"anti-inflammatory agent"}

> <synonyms>
{"Astragaloside IV","Astragaloside A",84687-43-4,84687434,NSC650944,83207-58-3,83207583,FT-0686574,FT0686574,S2415}

> <pdid>
PD000649

> <targets>
{TGF-beta/Smad}

> <classes>
{TGF-beta/Smad}

> <pubchem_cids>
{500122}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 42 47  0  0  0  0            999 V2000
    4.8817   -2.5602    0.0000 C   0  0
    3.8794   -1.4442    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 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
   -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
   -3.8874    0.7388    0.0000 O   0  0
   -6.4859    0.7245    0.0000 C   0  0
   -6.4808   -0.7756    0.0000 C   0  0
   -7.7772   -1.5301    0.0000 C   0  0
   -9.0789   -0.7846    0.0000 C   0  0
  -10.3775   -1.5369    0.0000 O   0  0
  -11.6788   -0.7892    0.0000 C   0  0
  -12.9775   -1.5414    0.0000 C   0  0
  -14.2788   -0.7937    0.0000 N   0  0
  -15.5779   -1.5437    0.0000 C   0  0
  -16.8770   -0.7937    0.0000 C   0  0
  -16.8770    0.7063    0.0000 O   0  0
  -15.5780    1.4563    0.0000 C   0  0
  -14.2789    0.7064    0.0000 C   0  0
   -9.0841    0.7154    0.0000 C   0  0
   -7.7877    1.4699    0.0000 C   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
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    4.0417   -4.4399    0.0000 N   0  0
    4.4674   -5.8782    0.0000 O   0  0
    3.2310   -6.7275    0.0000 N   0  0
    2.0412   -5.8141    0.0000 C   0  0
    0.6002   -6.2308    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  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  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 27  1  0
 27 28  1  0
 28 23  1  0
 19 29  1  0
 29 30  2  0
 30 16  1  0
 12 31  2  0
 31  8  1  0
  6 32  2  0
 32 33  1  0
 33 34  2  0
 34  4  1  0
 34 35  1  0
 35 36  2  0
 36  3  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 41 37  1  0
 41 42  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25437

> <plate>
PLATE 004

> <well>
G10

> <supplier_cmpd_name>
GSK269962A

> <ctcr_id>
2700

> <supplier_cmpd_id>
T3518

> <smiles>
CCn1c2cc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)ncc2nc1c6nonc6N

> <pd_targets>
{STK17A,CDC42BPA,RPS6KA5,PRKD2,SRPK1,MKNK2,TSSK1B,HIPK2,MARK2,PRKCD,AURKA,DAPK3,PKN2,PRKCI,HIPK4,AKT2,GSK3A,ROCK2,ROCK1,PRKG1,MARK3,SGK2,SLK,FLT4,AKT1,AKT3,RPS6KA1,PLK4,PRKX,PRKD3,PRKACA,MAP4K5,CDK2,R
PS6KA3,PIM3,FLT3,CDC7,PRKCG,PIM1,CLK4,PRKCZ,LCK,AURKB,PRKG2,RPS6KB1,CAMK2B,GSK3B}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","AGC protein kinase group","CMGC protein kinase group","Other protein kinase group","STE protein kinase group","TK protein kinase group","CA
MK protein kinase DAPK family","AGC protein kinase DMPK family","AGC protein kinase RSK family","CAMK protein kinase PKD family","CMGC protein kinase SRPK family","CAMK protein kinase MAPKAPK family",
"CAMK protein kinase TSSK family","CMGC protein kinase DYRK family","CAMK protein kinase CAMK1 family","AGC protein kinase PKC family","Other protein kinase AUR family","AGC protein kinase PKN family"
,"AGC protein kinase AKT family","CMGC protein kinase GSK family","AGC protein kinase PKG family","AGC protein kinase SGK family","STE protein kinase STE20 family","Tyrosine protein kinase VEGFR famil
y","Other protein kinase PLK family","AGC protein kinase PKA family","CMGC protein kinase CDK family","CAMK protein kinase PIM family","Tyrosine protein kinase PDGFR family","Other protein kinase CDC7
 family","CMGC protein kinase CLK family","Tyrosine protein kinase Src family","CAMK protein kinase CAMK2 family","AGC protein kinase GEK subfamily","AGC protein kinase MSK subfamily","CAMK protein ki
nase MNK subfamily","CMGC protein kinase HIPK subfamily","CAMK protein kinase MARK subfamily","AGC protein kinase PKC delta subfamily","AGC protein kinase PKC iota subfamily","AGC protein kinase ROCK 
subfamily","STE protein kinase SLK subfamily","AGC protein kinase RSK subfamily","STE protein kinase KHS subfamily","CMGC protein kinase CDC2 subfamily","AGC protein kinase PKC alpha subfamily","AGC p
rotein kinase p70 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","CMGC: Containing CDK",MAPK,GSK3,"CLK fami
lies","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Death-associated kinase (DAPK) family","DMPK family","RSK family","Protein kinase D (PKD) family","SRPK f
amily","MAPK-Activated Protein Kinase (MAPKAPK) family","Testis specific kinase (TSSK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CAMK-like (CAMKL) family"
,"Protein kinase C (PKC) family","Other protein kinases","Protein kinase N (PKN) family","Akt (Protein kinase B","PKB) family","Glycogen synthase kinase (GSK) family","Protein kinase G (PKG) family","
SGK family","STE20 family","TK: Tyrosine kinase","Protein kinase A (PKA) family","Cyclin-dependent kinase (CDK) family","PIM family","CLK family","CAMK2 family","GEK subfamily","MSK subfamily","MKN su
bfamily","HIPK subfamily","MARK subfamily","Delta subfamily","Aurora kinase (Aur) family","Iota subfamily","GSK subfamily","Rho kinase","SLK subfamily","Receptor tyrosine kinases (RTKs)","RSK subfamil
y","Polo-like kinase (PLK) family","KHS subfamily","CDK1 subfamily","CDC7 family","Alpha subfamily","Non-receptor tyrosine kinases (nRTKs)","p70 subfamily","Type IV RTKs: VEGF (vascular endothelial gr
owth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Src family"}

> <pathway_reactome>
{"Immune System",Metabolism,"Gene expression (Transcription)","Signal Transduction","Programmed Cell Death",Disease,"Developmental Biology",Hemostasis,"Transport of small molecules","Cell Cycle","Neur
onal System","Innate Immune System","Metabolism of lipids","RNA Polymerase II Transcription","Intracellular signaling by second messengers",Apoptosis,"Signaling by Rho GTPases","Death Receptor Signall
ing","Signaling by Receptor Tyrosine Kinases","Infectious disease","Nervous system development","Platelet homeostasis","Diseases of signal transduction by growth factor receptors and second messengers
","Ion channel transport",Mitotic,"Transmission across Chemical Synapses","Signaling by Nuclear Receptors","MAPK family signaling cascades","MTOR signalling","Toll-like Receptor Cascades","Sphingolipi
d metabolism","Generic Transcription Pathway","DAG and IP3 signaling","Caspase activation via extrinsic apoptotic signalling pathway","RHO GTPase Effectors","p75 NTR receptor-mediated signalling","Sig
naling by Insulin receptor","SARS-CoV Infections","Axon guidance","Nitric oxide stimulates guanylate cyclase","Oncogenic MAPK signaling","Stimuli-sensing channels","Signaling by VEGF","Mitotic G2-G2/M
 phases","Leishmania infection","Mitotic G1 phase and G1/S transition","Neurotransmitter receptors and postsynaptic signal transmission","FLT3 signaling in disease","ESR-mediated signaling","HIV Infec
tion","M Phase","MAPK1/MAPK3 signaling","mTORC1-mediated signalling","Toll Like Receptor 5 (TLR5) Cascade","Sphingolipid de novo biosynthesis","Transcriptional Regulation by TP53","CaM pathway","Caspa
se activation via Dependence Receptors in the absence of ligand","RHO GTPases activate PKNs","p75NTR signals via NF-kB","Insulin receptor signalling cascade","SARS-CoV-1 Infection","Semaphorin interac
tions","cGMP effects","Signaling by RAS mutants","VEGF ligand-receptor interactions","G2/M Transition","Leishmania parasite growth and survival","G1/S Transition","Glutamate binding","activation of AM
PA receptors and synaptic plasticity","Signaling by FLT3 ITD and TKD mutants","Extra-nuclear estrogen signaling","Host Interactions of HIV factors","Mitotic Metaphase and Anaphase","RAF/MAP kinase cas
cade","Activation of NMDA receptors and postsynaptic events","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity","Calmodulin induced events","p75NTR recruits signalling complexe
s","IRS-mediated signalling","SARS-CoV-1 Genome Replication and Transcription","Sema4D in semaphorin signaling","Signaling downstream of RAS mutants","VEGF binds to VEGFR leading to receptor dimerizat
ion","Centrosome maturation","Anti-inflammatory response favouring Leishmania parasite infection","Activation of the pre-replicative complex","Trafficking of AMPA receptors","STAT5 activation downstre
am of FLT3 ITD mutants","Estrogen-stimulated signaling through PRKCZ","The role of Nef in HIV-1 replication and disease pathogenesis","Mitotic Anaphase","RAS processing","Post NMDA receptor activation
 events","MAP kinase activation","Regulation of TP53 Activity through Phosphorylation","PI3K Cascade","Replication of the SARS-CoV-1 genome","Sema4D induced cell migration and growth-cone collapse","R
egulation of TP53 Expression and Degradation","Loss of proteins required for interphase microtubule organization from the centrosome","ADORA2B mediated anti-inflammatory cytokines production","Traffic
king of GluR2-containing AMPA receptors","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Separation of Sister Chromatids","CREB1 phosphorylation throu
gh NMDA receptor-mediated activation of RAS signaling","MAPK targets/ Nuclear events mediated by MAP kinases","PKB-mediated events","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosom
es","Nef Mediated CD4 Down-regulation","Ras activation upon Ca2+ influx through NMDA receptor","CREB phosphorylation","PDE3B signalling"}

> <broad_targets>
{ROCK1,ROCK2}

> <broad_moa>
{"rho associated kinase inhibitor"}

> <synonyms>
{GSK269962A,850664-21-0,850664210,GSK269962,"GSK 269962",GSK-269962A,"GSK 269962A","Aminofurazanyl-azabenzimidazole 6n","Aminofurazanylazabenzimidazole 6n",925213-63-4,925213634,"850664-21-0 (free bas
e)","850664210 (free base)","CID 16095342",Kinome_3843,Kinome3843,Kinome-3843,"Kinome 3843",MLS006010261,"ROCK inhibitor GS269962A",CHEMBL220241,GTPL8037,SCHEM,T3518,nan}

> <pdid>
PD003281

> <targets>
{ROCK,ROCK1,"ROCK-1/-2 Inhibitor"}

> <classes>
{Cell Cycle/DNA Damage,Cytoskeleton,Stem Cell/Wnt,TGF-beta/Smad}

> <pubchem_cids>
{16095342}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 29 31  0  0  1  0            999 V2000
    4.2010   -3.2956    0.0000 N   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 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    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 Cl  0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2494    0.0000 C   0  0
   -2.6017    2.9971    0.0000 C   0  0
    6.4430   -1.8404    0.0000 C   0  0
    7.3249   -3.0538    0.0000 O   0  0
    7.0537   -0.4695    0.0000 N   0  0
    8.5462   -0.3118    0.0000 C   0  0  2  0  0  0
    9.4261   -1.5277    0.0000 C   0  0
    8.8143   -2.8972    0.0000 O   0  0
    9.1568    1.0592    0.0000 C   0  0
   10.6483    1.2189    0.0000 C   0  0
   11.2558    2.5903    0.0000 C   0  0
   10.3718    3.8022    0.0000 C   0  0
    8.8804    3.6426    0.0000 C   0  0
    8.2729    2.2711    0.0000 C   0  0
   12.7473    2.7500    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  1  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
  8 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
  2 17  1  0
 17 18  2  0
 17 19  1  0
 20 19  1  1
 20 21  1  0
 21 22  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
 28 23  1  0
 25 29  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25438

> <plate>
PLATE 004

> <well>
G11

> <supplier_cmpd_name>
Ulixertinib

> <ctcr_id>
11915

> <supplier_cmpd_id>
T7005

> <smiles>
[nH]1c(cc(c1)c1cc(ncc1Cl)NC(C)C)C(=O)N[C@H](CO)c1cc(ccc1)Cl

> <pd_targets>
{MAPK1,MAPK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"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>
{"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>
{}

> <broad_moa>
{"MAP kinase inhibitor"}

> <synonyms>
{Ulixertinib,869886-67-9,869886679,VRT752271,BVD-523,BVD523,UNII-16ZDH50O1U,UNII16ZDH50O1U,"Ulixertinib (INN)","Ulixertinib (BVD-523)","Ulixertinib (BVD523)","Ulixertinib (BVD-523, VRT752271)","Ulixer
tinib (BVD523, VRT752271)",16ZDH50O1U,CHEMBL3590106,"869886-67-9 (free base)","869886679 (free base)","Ulixertinib (BVD-523,VRT752271)","Ulixertinib (BVD523,VRT752271)","BVD523 HCl",T7005}

> <pdid>
PD012525

> <targets>
{ERK,ERK2}

> <classes>
{MAPK,MAPK/ERK Pathway,Stem Cell/Wnt}

> <pubchem_cids>
{11719003}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 21 23  0  0  0  0            999 V2000
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 O   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -2.6408    0.8580    0.0000 C   0  0
   -3.1909    2.2347    0.0000 C   0  0
   -4.6863    2.1174    0.0000 C   0  0
   -5.0368    0.6589    0.0000 N   0  0
   -3.7580   -0.1251    0.0000 O   0  0
   -5.6614    3.2549    0.0000 C   0  0
   -5.1628    4.6696    0.0000 O   0  0
   -7.1368    2.9796    0.0000 N   0  0
   -8.1136    4.1190    0.0000 C   0  0
   -9.5889    3.8437    0.0000 C   0  0
  -10.5657    4.9832    0.0000 C   0  0
  -12.0411    4.7079    0.0000 N   0  0
  -13.1110    5.7409    0.0000 C   0  0
  -14.4269    5.0209    0.0000 C   0  0
  -14.1488    3.5469    0.0000 N   0  0
  -12.6610    3.3559    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  1  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  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
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 17  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25439

> <plate>
PLATE 004

> <well>
H2

> <supplier_cmpd_name>
SKL2001

> <ctcr_id>
11686

> <supplier_cmpd_id>
T6989

> <smiles>
c1coc(c1)c1cc(no1)C(=O)NCCCn1ccnc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SKL2001,909089-13-0,909089130,"SKL 2001","SKL2001 free base","5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)-1,2-oxazole-3-carboxamide","5(furan2yl)N(3imidazol1ylpropyl)1,2oxazole3carboxamide",SKL-2001,N-(
3-(1H-imidazol-1-yl)propyl)-5-(furan-2-yl)isoxazole-3-carboxamide,N(3(1Himidazol1yl)propyl)5(furan2yl)isoxazole3carboxamide,"Wnt Agonist II",SCHEMBL1178443,BCP19782,EX-A1997,EXA1997,T6989}

> <pdid>
PD016449

> <targets>
{Wnt/¦Â-catenin,Wnt,²-catenin}

> <classes>
{Cytoskeletal Signaling,Stem Cells,Stem Cell/Wnt}

> <pubchem_cids>
{16003447}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 35 40  0  0  0  0            999 V2000
   -0.7020   -9.7456    0.0000 F   0  0
   -0.1642   -8.3453    0.0000 C   0  0
   -1.1077   -7.1781    0.0000 C   0  0
   -2.0941   -8.3082    0.0000 C   0  0
   -3.5659   -8.0189    0.0000 C   0  0
   -4.0514   -6.5996    0.0000 C   0  0
   -3.0649   -5.4696    0.0000 C   0  0
   -1.5923   -5.7638    0.0000 C   0  0
   -0.6933   -4.5622    0.0000 C   0  0
    0.8066   -4.5832    0.0000 N   0  0
    1.2900   -3.1632    0.0000 N   0  0
    0.0887   -2.2866    0.0000 C   0  0
   -0.4048   -0.8693    0.0000 C   0  0
   -1.4749   -1.8801    0.0000 C   0  0
   -1.6762   -0.4638    0.0000 C   0  0
   -0.7218    0.4315    0.0000 C   0  0
    0.5915   -0.2947    0.0000 C   0  0
    0.7568   -1.7727    0.0000 N   0  0
    2.2295   -2.0573    0.0000 O   0  0
    2.9553   -0.7445    0.0000 C   0  0
    4.4447   -0.5600    0.0000 C   0  0
    5.6452   -1.3899    0.0000 C   0  0
    6.4668   -0.1348    0.0000 C   0  0
    7.4626   -1.2566    0.0000 F   0  0
    6.9309    1.2915    0.0000 F   0  0
    5.2117    0.6867    0.0000 C   0  0
    1.9311    0.3514    0.0000 N   0  0
    0.9255    0.4014    0.0000 C   0  0
    1.2019   -1.0091    0.0000 C   0  0
   -1.2237    1.9404    0.0000 C   0  0
   -1.2187    0.7671    0.0000 C   0  0
   -1.1368   -3.1292    0.0000 N   0  0
   -2.5538   -2.6373    0.0000 C   0  0
    1.3175   -8.1114    0.0000 F   0  0
    0.7794   -9.5114    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
  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  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
 23 25  1  0
 23 26  1  0
 26 21  1  0
 20 27  2  0
 27 17  1  0
 16 28  1  0
 28 29  1  0
 29 13  1  0
 16 30  1  0
 30 31  1  0
 31 13  1  0
 12 32  1  0
 32  9  1  0
 32 33  1  0
  2 34  1  0
  2 35  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25440

> <plate>
PLATE 004

> <well>
H3

> <supplier_cmpd_name>
MK-4101

> <ctcr_id>
11687

> <supplier_cmpd_id>
T6891

> <smiles>
FC(c1ccccc1c1nnc(C23CCC(c4noc(C5CC(F)(F)C5)n4)(CC2)CC3)n1C)(F)F

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{K410,MK-4101,MK4101,935273-79-3,935273793,SCHEMBL827179,BCP18385,EX-A1301,EXA1301,s8200,ZINC60325425,AKOS030528613,CCG-269638,CCG269638,CS-5749,CS5749,AC-33069,AC33069,AK550913,BS-17934,BS17934,HY-10
0036,HY100036,T6891}

> <pdid>
PD063622

> <targets>
{Smoothened,Apoptosis,Hedgehog,Smo}

> <classes>
{GPCR/G Protein,Stem Cells,Apoptosis,Stem Cell/Wnt}

> <pubchem_cids>
{16222379}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 25 27  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
   -3.9027    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
   -7.8019    5.9941    0.0000 N   0  0
   -7.9452    7.4744    0.0000 C   0  0
   -9.4135    7.7810    0.0000 C   0  0
  -10.1588    6.4792    0.0000 N   0  0
   -9.1511    5.3682    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  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  2  0
 23 24  1  0
 24 25  2  0
 25 21  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25441

> <plate>
PLATE 004

> <well>
H4

> <supplier_cmpd_name>
ISCK03

> <ctcr_id>
4492

> <supplier_cmpd_id>
T3452

> <smiles>
CC(C)(C)c1ccc(cc1)[S](=O)(=O)Nc2ccc(cc2)n3ccnc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ISCK03,945526-43-2,945526432,ISCK-03,"tert-Butylphenyl imidazolylphenyl sulfonamide","tertButylphenyl imidazolylphenyl sulfonamide",UNII-3028H7W568,UNII3028H7W568,4-tert-butyl-N-(4-imidazol-1-ylpheny
l)benzenesulfonamide,4tertbutylN(4imidazol1ylphenyl)benzenesulfonamide,3028H7W568,Whiteplex-IN,WhiteplexIN,"Stem-Cell Factor/c-Kit Inhibitor, ISCK03","StemCell Factor/cKit Inhibitor, ISCK03","ISCK 03"
,"t-Butylphenyl imidazol","tButylphenyl imidazol",T3452,"EMD 569615",569615}

> <pdid>
PD018629

> <targets>
{"Stem-Cell Factor/c-Kit Inhibitor",ISCK03}

> <classes>
{}

> <pubchem_cids>
{3792751}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 61 69  0  0  1  0            999 V2000
    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  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
   -2.5981    3.0000    0.0000 C   0  0  1  0  0  0
   -3.8971    3.7500    0.0000 C   0  0  2  0  0  0
   -4.2297    5.2071    0.0000 C   0  0
   -5.7225    5.3543    0.0000 C   0  0  2  0  0  0
   -6.8416    6.3501    0.0000 O   0  0
   -8.1358    5.5918    0.0000 C   0  0  2  0  0  0
   -7.8146    4.1266    0.0000 C   0  0  2  0  0  0
   -6.3238    3.9801    0.0000 C   0  0  2  0  0  0
   -5.1962    3.0000    0.0000 C   0  0  1  0  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  2  0  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
   -2.5981    0.0000    0.0000 C   0  0
   -6.5611    2.3779    0.0000 C   0  0
   -8.8109    3.0053    0.0000 C   0  0
   -9.1439    6.7639    0.0000 N   0  0
  -10.6298    6.5586    0.0000 C   0  0
  -11.1949    5.1691    0.0000 C   0  0  1  0  0  0
  -10.2742    3.9849    0.0000 C   0  0
   -8.7883    4.1903    0.0000 C   0  0
  -12.6808    4.9638    0.0000 C   0  0
   -0.0053   -2.9973    0.0000 O   0  0
   -1.3065   -3.7451    0.0000 C   0  0  1  0  0  0
   -2.6056   -2.9952    0.0000 C   0  0  1  0  0  0
   -3.9047   -3.7453    0.0000 C   0  0  1  0  0  0
   -3.9046   -5.2453    0.0000 C   0  0  2  0  0  0
   -2.6055   -5.9952    0.0000 C   0  0  1  0  0  0
   -1.3065   -5.2452    0.0000 O   0  0
   -2.6055   -7.4952    0.0000 C   0  0
   -5.2036   -5.9953    0.0000 O   0  0
   -5.2037   -2.9953    0.0000 O   0  0
   -2.6057   -1.4952    0.0000 O   0  0
   -0.0133   -5.9950    0.0000 O   0  0
    2.5826   -7.5048    0.0000 O   0  0
    3.8809   -8.2579    0.0000 C   0  0  1  0  0  0
    3.8809   -9.7579    0.0000 C   0  0  1  0  0  0
    5.1800  -10.5079    0.0000 C   0  0  1  0  0  0
    6.4790   -9.7579    0.0000 C   0  0  2  0  0  0
    6.4790   -8.2579    0.0000 C   0  0  1  0  0  0
    5.1800   -7.5079    0.0000 O   0  0
    7.7781   -7.5079    0.0000 C   0  0
    7.7781  -10.5079    0.0000 O   0  0
    5.1800  -12.0079    0.0000 O   0  0
    2.5819  -10.5079    0.0000 O   0  0
    5.1820   -6.0160    0.0000 C   0  0
    6.4856   -5.2740    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  6
  8  7  1  1
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 13 12  1  6
 13 14  1  0
 14 15  1  1
 16 15  1  1
 16 17  1  0
 18 17  1  1
 18 19  1  0
 20 19  1  1
 20 16  1  0
 20 21  1  0
 21 14  1  0
 21 22  1  0
 22 23  1  0
 24 23  1  1
 24 13  1  0
 24 25  1  0
 25 10  1  0
 25 26  1  0
 26 27  1  0
 27  8  1  0
 25 28  1  1
 21 29  1  1
 19 30  1  6
 18 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 18  1  0
 33 36  1  1
  4 37  1  1
 38 37  1  6
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 38  1  0
 42 44  1  1
 41 45  1  6
 40 46  1  1
 39 47  1  1
  3 48  1  6
  2 49  1  1
 50 49  1  6
 50 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 50  1  0
 54 56  1  1
 53 57  1  6
 52 58  1  1
 51 59  1  1
  1 60  1  6
 60 61  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25442

> <plate>
PLATE 004

> <well>
H5

> <supplier_cmpd_name>
Solamargine

> <ctcr_id>
11550

> <supplier_cmpd_id>
T4034

> <smiles>
[C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]1CC2=CC[C@H]3[C@@H]4C[C@@H]5O[C@]6([C@H]([C@@H]5[C@]4(CC[C@@H]3[C@]2(CC1)C)C)C)NC[C@@H](CC6)C)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O[C@H]1[C@@H]([C
@@H]([C@H]([C@@H](O1)C)O)O)O)CO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"apoptosis inhibitor"}

> <synonyms>
{Solamargine,20311-51-7,20311517,beta-Solamarine,betaSolamarine,UNII-8KG991E7BN,UNII8KG991E7BN,8KG991E7BN,CHEBI:9185,Solamargin,3671-38-3,3671383,AC1L2K61,"NSC 407810",Solamargin;|A-Solanigrine,Solama
rgin;|ASolanigrine,CHEMBL443114,HY-N0069,HYN0069,MFCD30207844,s9145,AKOS030526705,ZINC252474776,CCG-270542,CCG270542,DB12700,AS-75093,AS75093,T4034}

> <pdid>
PD012308

> <targets>
{p38 MAPK,STAT3,Apoptosis,P-glycoprotein}

> <classes>
{JAK/STAT signaling,MAPK,Stem Cells,Apoptosis,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{73611}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 26 29  0  0  1  0            999 V2000
    1.5613   -2.8152    0.0000 C   0  0
    1.0240   -4.2157    0.0000 O   0  0
    3.0088   -2.4220    0.0000 C   0  0
    3.0821   -0.9238    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  0  0  0
    0.0000    1.7286    0.0000 C   0  0  1  0  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
    0.7500   -1.5574    0.0000 C   0  0  2  0  0  0
    0.0322   -2.8745    0.0000 O   0  0
   -3.1497   -0.7220    0.0000 C   0  0
   -3.5898   -2.1560    0.0000 O   0  0
   -0.1202    3.2275    0.0000 C   0  0  1  0  0  0
    1.1172    4.0755    0.0000 C   0  0  1  0  0  0
    2.4702    3.4279    0.0000 C   0  0  1  0  0  0
    2.5859    1.9324    0.0000 C   0  0  1  0  0  0
    3.9405    1.2880    0.0000 C   0  0
    3.7075    4.2759    0.0000 O   0  0
   -0.1500    4.7780    0.0000 C   0  0
   -1.4364    4.0065    0.0000 C   0  0
   -0.1774    6.2777    0.0000 C   0  0
    1.2329    2.5799    0.0000 O   0  0
    2.7497    0.5347    0.0000 O   0  0
    4.1778   -3.3619    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  3  4  2  3
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  1  1
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11  1  1  0
 11  5  1  0
 11 12  1  6
  9 13  1  0
 13 14  1  0
  7 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18  6  1  0
 18 19  1  1
 17 20  1  6
 16 21  1  0
 15 21  1  6
 21 22  1  0
 21 23  1  0
 16 24  1  1
  6 25  1  1
  3 26  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25443

> <plate>
PLATE 004

> <well>
H6

> <supplier_cmpd_name>
Phorbol

> <ctcr_id>
11916

> <supplier_cmpd_id>
T4037

> <smiles>
C1(=O)C(=C[C@H]2[C@@]3([C@@H](C=C(C[C@]12O)CO)[C@H]1[C@@]([C@@H]([C@H]3C)O)(C1(C)C)O)O)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{PHORBOL,17673-25-5,17673255,UNII-XUZ76S9127,UNIIXUZ76S9127,CHEBI:8116,4alpha-Phorbol,4alphaPhorbol,XUZ76S9127,"4,9,12beta,13,20-pentahydroxy-1,6-tigliadien-3-on","4,9,12beta,13,20pentahydroxy1,6tigli
adien3on","4,9,12-beta,13,20-Pentahydroxy-1,6-tigliadien-3-on","4,9,12beta,13,20Pentahydroxy1,6tigliadien3on","4,9,12beta,13,20-pentahydroxytiglia-1,6-dien-3-one","4,9,12beta,13,20pentahydroxytiglia1,
6dien3one",4-.beta.-Phorbol,4.beta.Phorbol,T4037,Phorbol}

> <pdid>
PD064963

> <targets>
{PKC}

> <classes>
{"Cytoskeletal Signaling"}

> <pubchem_cids>
{442070}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 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_L8000_Stem cell Differentiation Compound Library

> <id>
25444

> <plate>
PLATE 004

> <well>
H7

> <supplier_cmpd_name>
S-Ruxolitinib

> <ctcr_id>
7410

> <supplier_cmpd_id>
T6156

> <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_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 31 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 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
    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
    1.3092   -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
    2.6004   -2.9949    0.0000 C   0  0
    5.2111   -5.9837    0.0000 N   0  0
    6.5072   -5.2269    0.0000 C   0  0
    7.8629   -5.8385    0.0000 C   0  0
    8.8588   -4.7169    0.0000 N   0  0
    8.0998   -3.4231    0.0000 C   0  0
    6.6348   -3.7451    0.0000 O   0  0
    8.7007   -2.0479    0.0000 C   0  0
   10.1699   -1.7708    0.0000 C   0  0
   10.6653   -0.3550    0.0000 C   0  0
    9.6869    0.7820    0.0000 C   0  0
    8.2130    0.5031    0.0000 C   0  0
    7.7176   -0.9127    0.0000 C   0  0
    6.2442   -1.1938    0.0000 Cl  0  0
   11.1479   -2.9081    0.0000 F   0  0
    8.1763   -7.3036    0.0000 C   0  0
    9.6032   -7.7661    0.0000 O   0  0
    7.0626   -8.3083    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
  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
 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  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
 22 28  1  0
 17 29  1  0
 29 30  2  0
 29 31  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25445

> <plate>
PLATE 004

> <well>
H8

> <supplier_cmpd_name>
SAR-20347

> <ctcr_id>
11552

> <supplier_cmpd_id>
T4210

> <smiles>
C1COCCN1C(=O)c1ccc(cc1)Nc1c(nc(o1)c1c(cccc1Cl)F)C(=O)N

> <pd_targets>
{JAK2,JAK1,JAK3,TYK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase JakA family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Cell Cycle","Immune System",Mitotic,"Cytokine Signaling in Immune system","Mitotic G1 phase and G1/S transition","Interferon Signaling","Signaling by Interleukins","G1 Phase","Antiviral mechanism by
 IFN-stimulated genes","Interleukin-2 family signaling","Interferon alpha/beta signaling","Cyclin D associated events in G1","ISG15 antiviral mechanism","Interleukin-15 signaling","Regulation of IFNA 
signaling"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AR2034,SAR-20347,SAR20347,1450881-55-6,1450881556,CHEMBL4476770,GTPL9803,SCHEMBL15224662,AMY16796,BCP19857,EX-A1368,EXA1368,BDBM50507817,NSC798517,ZB1527,CS-7983,CS7983,NSC-798517,SB17052,"SAR20347;S
AR 20347",BS-15430,BS15430,HY-100895,HY100895,T4210}

> <pdid>
PD076501

> <targets>
{JAK1,JAK2,JAK3,TYK2}

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

> <pubchem_cids>
{71727668}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 15 17  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
   -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
   -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 O   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 11  1  0
 11  6  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  5  1  0
 14 15  1  0
 15  2  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25446

> <plate>
PLATE 004

> <well>
H9

> <supplier_cmpd_name>
Splitomicin

> <ctcr_id>
11656

> <supplier_cmpd_id>
T6678

> <smiles>
O=C1CCc2c3ccccc3ccc2O1

> <pd_targets>
{SIRT1,HSD17B10,CYP2C9,CYP1A2,SIR2,CYP2C19,HPGD,GLA}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Oxidoreductase,"Cytochrome P450",Hydrolase,"Histone deacetylase","Cytochrome P450 family 2","Cytochrome P450 family 1","HDAC class III","Cytochrome P450 family 2C
","Cytochrome P450 family 1A","Cytochrome P450 2C9","Cytochrome P450 1A1","Cytochrome P450 2C19"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cytochrome P450","Eicosanoid turnover","3.5.1.- Histone deacetylases (HDACs)","CYP2 family: drug metabolising subset","CYP1 family","Prostaglandin synthases"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"RNA Polymerase II Transcription","Metabolism of amino acids and derivatives","Biological oxidations","Metabolism of lipids","Generic Transcription Pathwa
y","Branched-chain amino acid catabolism","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Sphingolipid metabolism","FOXO-mediated transcription"
,"Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Glycosphingolipid metabolism","Regulation of FOXO transcriptional activity by acetylation",Xenobiotics,"Biosynthesis
 of D-series resolvins","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{SIRT1}

> <broad_moa>
{"SIRT inhibitor"}

> <synonyms>
{5690-03-9,5690039,Splitomycin,"1,2-Dihydro-3H-naphtho(2,1-b)pyran-3-one","1,2Dihydro3Hnaphtho(2,1b)pyran3one",1H-benzo(f)chromen-3(2H)-one,1Hbenzo(f)chromen3(2H)one,"1,2-dihydrobenzo(f)chromen-3-one"
,"1,2dihydrobenzo(f)chromen3one",CHEMBL86537,CHEBI:75272,MFCD08705254,"1H,2H,3H-naphtho(2,1-b)pyran-3-one","1H,2H,3Hnaphtho(2,1b)pyran3one",1,2-dihydro-3h-benzo(f)chro,2dihydro3hbenzo(f)chro,T6678,Spl
itomicin}

> <pdid>
PD000464

> <targets>
{SIRT2p}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair"}

> <pubchem_cids>
{5269}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 35 39  0  0  0  0            999 V2000
   -4.9623    7.9857    0.0000 C   0  0
   -4.2165    9.2871    0.0000 C   0  0
   -2.7483    8.9800    0.0000 C   0  0
   -2.6056    7.4996    0.0000 N   0  0
   -3.9550    6.8742    0.0000 C   0  0
   -1.3050    6.7507    0.0000 C   0  0
   -1.3022    5.2499    0.0000 C   0  0
   -0.0016    4.5011    0.0000 O   0  0
    0.0012    3.0002    0.0000 C   0  0
   -1.2981    2.2506    0.0000 C   0  0
   -1.2985    0.7506    0.0000 C   0  0
    0.0000    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.3000   -2.2500    0.0000 C   0  0
    2.5989   -1.4998    0.0000 N   0  0
    3.8981   -2.2494    0.0000 C   0  0
    3.8985   -3.7494    0.0000 C   0  0
    2.6000   -4.5000    0.0000 C   0  0
    1.3000   -3.7500    0.0000 N   0  0
    3.9000   -3.7500    0.0000 C   0  0
    3.9010   -2.2500    0.0000 C   0  0
    5.2000   -1.5000    0.0000 C   0  0
    6.4990   -2.2500    0.0000 C   0  0
    6.5000   -3.7500    0.0000 C   0  0
    6.5000   -2.2500    0.0000 C   0  0
    7.8000   -1.5000    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    3.0000    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    2.6000    3.0000    0.0000 C   0  0
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    5.2000   -4.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  1  1  0
  4  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  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  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  3
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33  9  1  0
 33 34  2  0
 34 12  1  0
 24 35  2  0
 35 20  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25447

> <plate>
PLATE 004

> <well>
H10

> <supplier_cmpd_name>
Pacritinib

> <ctcr_id>
3986

> <supplier_cmpd_id>
T6020

> <smiles>
C1CCN(C1)CCOc2ccc3Nc4nccc(n4)c5cccc(COCC=CCOCc2c3)c5

> <pd_targets>
{JAK3,JAK2,JAK1,FLT3,TYK2,CCNA1,CCNA2,CDK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","CMGC protein kinase group","Tyrosine protein kinase JakA family","Tyrosine protein kinase PDGFR family","CMGC protein kinase CDK family","CMG
C protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Janus kinase (JakA) family","Type III RTKs: PDGFR"
,CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Signal Transduction","Cytokine Signaling in Immune system",Mitotic,"Signaling by Receptor Tyrosine Kinases","Signaling by Interleukins","Mitotic G1 phase and G1/S transi
tion","Interferon Signaling","Signaling by Insulin receptor","Interleukin-2 family signaling","G1 Phase","Antiviral mechanism by IFN-stimulated genes","Insulin receptor signalling cascade","Interferon
 alpha/beta signaling","Interleukin-15 signaling","Cyclin D associated events in G1","ISG15 antiviral mechanism","IRS-mediated signalling","Regulation of IFNA signaling","PI3K Cascade"}

> <broad_targets>
{FLT3,JAK1,JAK2,JAK3}

> <broad_moa>
{"FLT3 inhibitor","JAK inhibitor"}

> <synonyms>
{Pacritinib(SB1518),CHEMBL2181330,HMS3653B08,HMS3673G03,ZINC43153645,ZINC95938301,AK311720,DA-40351,DA40351,FT-0701734,FT0701734,T6020,S8057,Pacritinib,"Pacritinib (SB1518)"}

> <pdid>
PD036192

> <targets>
{JAK}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{73354318}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 28 31  0  0  0  0            999 V2000
   -1.2989    0.7502    0.0000 C   0  0
    0.0000    0.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3000   -2.2500    0.0000 C   0  0
    1.3000   -3.7500    0.0000 C   0  0
    2.6000   -4.5000    0.0000 C   0  0
    3.9000   -3.7500    0.0000 C   0  0
    5.2000   -4.5000    0.0000 O   0  0
    6.5000   -3.7500    0.0000 C   0  0
    7.7989   -4.5002    0.0000 C   0  0
    9.0981   -3.7506    0.0000 C   0  0
    9.0985   -2.2506    0.0000 C   0  0
    7.8000   -1.5000    0.0000 C   0  0
    6.5000   -2.2500    0.0000 C   0  0
    7.8000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 N   0  0
    6.5000    2.2500    0.0000 C   0  0
    7.7988    3.0002    0.0000 N   0  0
    9.0981    2.2506    0.0000 C   0  0
    9.0985    0.7506    0.0000 C   0  0
    5.2000    3.0000    0.0000 N   0  0
    3.9000    2.2500    0.0000 C   0  0
    3.8990    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3010    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 C   0  0
    2.6000    3.0000    0.0000 C   0  0
    1.3000    0.7500    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  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  3
 14  9  1  0
 13 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
 17 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
 26 28  1  0
 28  2  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25448

> <plate>
PLATE 004

> <well>
H11

> <supplier_cmpd_name>
SB1317 hydrochloride (937270-47-8(free base))

> <ctcr_id>
11554

> <supplier_cmpd_id>
T4227

> <smiles>
CN1C/C=C/CCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1

> <pd_targets>
{CSF1R,JAK1,CDK1,JAK2,CDK5,TYK2,FLT3,CDK3,CYP2D6,CDK9,CCNK,CCNE1,CDK2,CDK5R1,CCNA1,CCNA2,CCNB1,CCNH,CDK7,MNAT1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 2","TK protein kinase group","CMGC protein kinase group","Cytochrome P450 family 2D","Tyrosine protein kinase PDGFR family","T
yrosine protein kinase JakA family","CMGC protein kinase CDK family","Cytochrome P450 2D6","CMGC protein kinase CDC2 subfamily","CMGC protein kinase CDK5 subfamily","CMGC protein kinase CDK9 subfamily
","CMGC protein kinase CDK7 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP2 family: drug metabolising subset","TK: Tyrosi
ne kinase","Cyclin-dependent kinase (CDK) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","CDK1 subfamily","CDK5 subfamily","CDK9 subfamily","CDK7 subfamily","Type I
II RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","Cell Cycle","Signal Transduction",Metabolism,Disease,"RNA Polymerase II Transcription","Cytokine Signaling in Immune system",Mitotic,"Signaling by R
eceptor Tyrosine Kinases","Biological oxidations","Infectious disease","Generic Transcription Pathway","Interferon Signaling","Regulation of mitotic cell cycle","Mitotic G1 phase and G1/S transition",
"Signaling by Insulin receptor","Phase I - Functionalization of compounds","HIV Infection","Transcriptional Regulation by VENTX","Antiviral mechanism by IFN-stimulated genes","APC/C-mediated degradati
on of cell cycle proteins","G1 Phase","Transcriptional Regulation by TP53","Interferon alpha/beta signaling","Insulin receptor signalling cascade","Cytochrome P450 - arranged by substrate type","HIV L
ife Cycle","ISG15 antiviral mechanism","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Cyclin D associated events in G1","Regulation of TP53 Activity","Regulation of IF
NA signaling","IRS-mediated signalling",Xenobiotics,"Late Phase of HIV Life Cycle","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity through Phosphorylation","PI3K Ca
scade","CYP2E1 reactions","Transcription of the HIV genome","Regulation of TP53 Expression and Degradation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycl
e checkpoint","HIV Transcription Elongation","Regulation of TP53 Degradation","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>
{CDK1,CDK2,CDK7,CDK9,FLT3,JAK2}

> <broad_moa>
{"CDK inhibitor","FLT3 inhibitor","JAK inhibitor"}

> <synonyms>
{SB1317,TG02,937270-47-8,937270478,Zotiraciclib,TG-02,SB-1317,EX45,CHEMBL1944698,UNII-40D08182TT,UNII40D08182TT,1204918-72-8,1204918728,40D08182TT,"TG02 (SB1317)","Zotiraciclib (USAN)",C23H24N4O,Tube0
11,"SB-1317 free base","SB1317 free base",SCHEMBL823947,"TG02 (WHO-DD)","TG02 (WHODD)",GTPL9095,SCHEMBL2298965,SCHEMBL1,T4227,T2653,"SB1317 hydrochloride (937270-47-8(free base))"}

> <pdid>
PD012633

> <targets>
{CDK2,FLT3,JAK2,CDK,JAK}

> <classes>
{Angiogenesis,Cell Cycle/Checkpoint,Chromatin/Epigenetic,Tyrosine Kinase/Adaptors,JAK/STAT signaling,Stem Cells,Cell Cycle/DNA Damage,Epigenetics,JAK/STAT Signaling,Protein Tyrosine Kinase/RTK,Stem Ce
ll/Wnt}

> <pubchem_cids>
{16739650}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 16 16  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  3
    1.2947   -3.7531    0.0000 O   0  5
   -1.3032   -3.7490    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  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
  4 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  3  0
 12 15  1  0
 15 16  3  0
M  CHG  2   8   1   9  -1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25449

> <plate>
PLATE 005

> <well>
A2

> <supplier_cmpd_name>
AG 126

> <ctcr_id>
4689

> <supplier_cmpd_id>
T4092

> <smiles>
Oc1cc(ccc1[N+]([O-])=O)C=C(C#N)C#N

> <pd_targets>
{HSD17B10,PYK,MAPT,ALDH1A1,FFP,POLB,ALD,BLM,CYP2C9,KDM4E,RORC,TDP1,LMNA,RECQL,HPGD,CYP1A2,CYP3A4}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator","Transcription factor","Other nuclear protein",Oxidoreductase,Transferase,"Cytochrome P450",Eraser,"Nuclear receptor",Hydrolase,"Cytochrome P45
0 family 2","Lysine demethylase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 1","Cytochrome P450 family 3","Cytochrome P450 family 2C","Jumonji domain-containing","Nuclear hormone r
eceptor subfamily 1 group F","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 1A1","Cytochrome P45
0 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Chromatin modifying enzymes","Nuclear hormone receptors","Eicosanoid turnover","CYP2 family: drug metabolising subset","1.14.11.- Histone demethylases","1F. Retin
oic acid-related orphans","Prostaglandin synthases","CYP1 family","CYP3 family"}

> <pathway_reactome>
{Metabolism,"Neuronal System","DNA Repair","Gene expression (Transcription)","Cell Cycle","Metabolism of amino acids and derivatives","Transmission across Chemical Synapses","Biological oxidations","B
ase Excision Repair","DNA Double-Strand Break Repair","RNA Polymerase II Transcription",Mitotic,"Metabolism of lipids","Branched-chain amino acid catabolism","Neurotransmitter receptors and postsynapt
ic signal transmission","Phase I - Functionalization of compounds","Resolution of Abasic Sites (AP sites)","Homology Directed Repair","Generic Transcription Pathway","Nonhomologous End-Joining (NHEJ)"
,"M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Resolution of AP sites via the multiple-nucleotide pa
tch replacement pathway","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Cytochrome P450 - arranged by substrate type","Transcriptional regulation by RUNX3","Mitotic Met
aphase and Anaphase","Biosynthesis of DHA-derived SPMs","Post NMDA receptor activation events","PCNA-Dependent Long Patch Base Excision Repair","HDR through Homologous Recombination (HRR)",Xenobiotics
,"RUNX3 Regulates Immune Response and Cell Migration","Mitotic Anaphase","Biosynthesis of D-series resolvins","Biosynthesis of maresins","Activation of AMPK downstream of NMDARs","Homologous DNA Pairi
ng and Strand Exchange","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","Presynaptic phase 
of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{G12,118409-62-4,118409624,AG-126,AG126,"AG 126","Tyrphostin AG 126",ag126,alpha-Cyano-(3-hydroxy-4-nitro)cinnamonitrile,alphaCyano(3hydroxy4nitro)cinnamonitrile,"Tyrphostin AG126",UNII-7YA4AMD1JC,UNI
I7YA4AMD1JC,2-((3-hydroxy-4-nitrophenyl)methylidene)propanedinitrile,2((3hydroxy4nitrophenyl)methylidene)propanedinitrile,7YA4AMD1JC,Propanedinitrile,((3-hydroxy-4-nitrophenyl),((3hydroxy4nitrophenyl)
,T4092,EI-263}

> <pdid>
PD014824

> <targets>
{IRAK,ERK}

> <classes>
{MAPK/ERK Pathway,Stem Cell/Wnt}

> <pubchem_cids>
{2046}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 27 30  0  0  0  0            999 V2000
    5.1009    2.6017    0.0000 O   0  0
    5.8532    1.3040    0.0000 C   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
    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 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    2.7248    1.2135    0.0000 S   0  0
    7.3541    1.3071    0.0000 C   0  0
    8.1026    2.6079    0.0000 C   0  0
    9.6026    2.6133    0.0000 C   0  0
   10.3481    3.9149    0.0000 C   0  0
    9.5936    5.2113    0.0000 C   0  0
   10.3421    6.5121    0.0000 O   0  0
   11.8421    6.5152    0.0000 C   0  0
    8.0936    5.2061    0.0000 C   0  0
    7.3360    6.5017    0.0000 O   0  0
    5.8360    6.4943    0.0000 C   0  0
    7.3481    3.9045    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  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 10  1  0
  7 16  1  0
 16  4  1  0
  2 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
 21 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  2  0
 27 18  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25450

> <plate>
PLATE 005

> <well>
A3

> <supplier_cmpd_name>
ZINC00881524

> <ctcr_id>
11659

> <supplier_cmpd_id>
T4095

> <smiles>
O=C(Nc1nc2c(CCc3c2cccc3)s1)Cc1ccc(OC)c(OC)c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ZINC00881524,557782-81-7,557782817,"N-(4,5-dihydronaphtho(1,2-d)thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide","N(4,5dihydronaphtho(1,2d)thiazol2yl)2(3,4dimethoxyphenyl)acetamide","ZINC00881524 (ROC
K inhibitor)",ZINC881524,BCP25184,EX-A1504,EXA1504,s8448,AKOS001072293,ZINC-00881524,CCG-268409,CCG268409,CS-6520,CS6520,MCULE-2808610865,MCULE2808610865,BS-17128,BS17128,T4095}

> <pdid>
PD063701

> <targets>
{ROCK}

> <classes>
{"Cell Cycle/Checkpoint","Stem Cells"}

> <pubchem_cids>
{1138914}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 31 33  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 F   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
   -2.5972   -1.5031    0.0000 N   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
   -2.5847   -6.0040    0.0000 C   0  0
   -2.5795   -7.5040    0.0000 I   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -5.1932   -3.0130    0.0000 F   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
    1.3015   -2.2494    0.0000 O   0  0
    2.6016   -2.9971    0.0000 O   0  0
    1.3070   -5.2506    0.0000 C   0  0
    2.6081   -5.9988    0.0000 C   0  0
    2.6116   -7.4996    0.0000 C   0  0
    1.3141   -8.2523    0.0000 O   0  0
    3.9127   -8.2477    0.0000 C   0  0
    3.9162   -9.7477    0.0000 O   0  0
   -0.0778   -5.1866    0.0000 C   0  0
    0.6747   -6.4843    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
  7  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 11  1  0
 17 18  1  0
  9 19  2  0
 19  3  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  2  0
 21 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 24 30  1  0
 30 31  1  0
 31 24  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25451

> <plate>
PLATE 005

> <well>
A4

> <supplier_cmpd_name>
Refametinib

> <ctcr_id>
1882

> <supplier_cmpd_id>
T6636

> <smiles>
COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C3(CC(O)CO)CC3

> <pd_targets>
{MAP2K2,MAP2K1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","STE protein kinase group","STE protein kinase STE7 family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","STE7 family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by NTRKs","Signaling by NTRK1 (TRKA)","Signalling to ERKs","Prolonged ERK activation events","Frs2-mediated activation"}

> <broad_targets>
{MAP2K1,MAP2K2}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{Refametinib,923032-37-5,923032375,RDEA119,"RDEA 119","BAY 869766",UNII-JPX07AFM0N,UNIIJPX07AFM0N,JPX07AFM0N,BAY-869766,BAY869766,"BAY 8697661","Refametinib (RDEA119, Bay 86-9766)","Refametinib (RDEA1
19, Bay 869766)","BAY 86-9766","Refametinib (INN)",RDEA-119,3e8n,"Refametinib; RDEA119","Refametinib (RDEA119)",SCHEMBL,T6636}

> <pdid>
PD011148

> <targets>
{MEK}

> <classes>
{MAPK/ERK Pathway}

> <pubchem_cids>
{44182295}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 16 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 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
   -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
   -2.5536   -4.4230    0.0000 C   0  0
   -4.0444   -4.5346    0.0000 C   0  0
   -4.6946   -5.8864    0.0000 C   0  0
   -3.8489   -7.1253    0.0000 N   0  0
   -2.3532   -7.0124    0.0000 C   0  0
   -1.7031   -5.6606    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  2  0
  9 10  1  0
 10  2  1  0
 10  6  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
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25452

> <plate>
PLATE 005

> <well>
A5

> <supplier_cmpd_name>
PHA767491 HCl

> <ctcr_id>
2552

> <supplier_cmpd_id>
T6940

> <smiles>
O=C1NCCc2[nH]c(cc12)c3ccncc3

> <pd_targets>
{ROCK1,MAPK12,PRKCQ,PRKD2,PKN2,GSK3B,CDK2,PLK1,SLK,PRKCD,RPS6KB1,HIPK4,ACVR1,CDK8,CDK1,CDC7,RPS6KA4,MAPKAPK2,MAPK13,MAPKAPK3,RPS6KA5,CDK9,CHEK2,PRKACA,MKNK2,PRKG1,CSNK2A1,GSK3A,CDK5,CDC42BPA,PLK4,PASK
,DAPK3,MINK1,DYRK3,DYRK4,ROCK2,JAK3,MARK2,MKNK1,CSNK1G2,BRSK1,RPS6KA3,PRKG2,CLK2,TAOK1,CSNK1D,NEK4,CSNK1G1,CLK4,MAPK1,PRKCZ,CSNK1G3,PLK3,SGK2,LRRK2,STK17A,PRKX,IRAK4,PIM3,PBK,MAP4K2,PRKD3,HIPK2,MAPKAP
K5,AKT1,DYRK1A,DYRK1B,IRAK1,CSNK1A1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","CMGC protein kinase group","CAMK protein kinase group","Other protein kinase group","STE protein kinase group","TKL protein kinase group","T
K protein kinase group","CK1 protein kinase group","AGC protein kinase DMPK family","CMGC protein kinase MAPK family","AGC protein kinase PKC family","CAMK protein kinase PKD family","AGC protein kina
se PKN family","CMGC protein kinase GSK family","CMGC protein kinase CDK family","Other protein kinase PLK family","STE protein kinase STE20 family","AGC protein kinase RSK family","CMGC protein kinas
e DYRK family","TKL protein kinase STKR family","Other protein kinase CDC7 family","CAMK protein kinase MAPKAPK family","CAMK protein kinase RAD53 family","AGC protein kinase PKA family","AGC protein 
kinase PKG family","Other protein kinase CK2 family","CAMK protein kinase CAMK1 family","CAMK protein kinase DAPK family","Tyrosine protein kinase JakA family","CK1 protein kinase CK1 family","CMGC pr
otein kinase CLK family","Other protein kinase NEK family","AGC protein kinase SGK family","TKL protein kinase LRRK family","TKL protein kinase IRAK family","CAMK protein kinase PIM family","Other pro
tein kinase TOPK family","AGC protein kinase AKT family","AGC protein kinase ROCK subfamily","CMGC protein kinase p38 subfamily","AGC protein kinase PKC delta subfamily","CMGC protein kinase CDC2 subf
amily","STE protein kinase SLK subfamily","AGC protein kinase p70 subfamily","CMGC protein kinase HIPK subfamily","TKL protein kinase STKR1","CMGC protein kinase CDK8 subfamily","AGC protein kinase MS
K subfamily","CAMK protein kinase MAPKAPK subfamily","CMGC protein kinase CDK9 subfamily","CAMK protein kinase MNK subfamily","CMGC protein kinase CDK5 subfamily","AGC protein kinase GEK subfamily","C
AMK protein kinase PASK subfamily","STE protein kinase MSN subfamily","CMGC protein kinase Dyrk2 subfamily","CAMK protein kinase MARK subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinas
e RSK subfamily","STE protein kinase TAO subfamily","CMGC protein kinase ERK1","AGC protein kinase PKC iota subfamily","CK1 protein kinase CK1-g","STE protein kinase KHS subfamily","CMGC protein kinas
e Dyrk1 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kin
ases","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CK1: Casein kinase 1","DMPK family","Mitogen-activated protein kinases (MAP kinases)","Protein kinase C (
PKC) family","Protein kinase D (PKD) family","Protein kinase N (PKN) family","Glycogen synthase kinase (GSK) family","Cyclin-dependent kinase (CDK) family","Other protein kinases","STE20 family","RSK 
family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","TKL: Tyrosine kinase-like","MAPK-Activated Protein Kinase (MAPKAPK) family","CAMK-like (CAMKL) family","Protein 
kinase A (PKA) family","Protein kinase G (PKG) family","Death-associated kinase (DAPK) family","TK: Tyrosine kinase","Casein kinase 1 (CK1) family","CLK family","SGK family","PIM family","Akt (Protein
 kinase B","PKB) family","Rho kinase","p38 subfamily","Delta subfamily","GSK subfamily","CDK1 subfamily","Polo-like kinase (PLK) family","SLK subfamily","p70 subfamily","HIPK subfamily","Receptor seri
ne/threonine kinase (RSTK) family","CDK8 subfamily","CDC7 family","MSK subfamily","MAPKAPK subfamily","CDK9 subfamily","CHK1 subfamily","MKN subfamily","Casein kinase 2 (CK2) family","CDK5 subfamily",
"GEK subfamily","PASK subfamily","MSN subfamily","Dyrk2 subfamily","Dyrk1 subfamily","Non-receptor tyrosine kinases (nRTKs)","MARK subfamily","BRSK subfamily","RSK subfamily","TAO subfamily","NIMA (ne
ver in mitosis gene a)- related kinase (NEK) family","ERK subfamily","Iota subfamily","Leucine-rich repeat kinase (LRRK) family","Interleukin-1 receptor-associated kinase (IRAK) family","TOPK family",
"KHS subfamily","Type I receptor serine/threonine kinases","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction",Metabolism,Disease,"Gene expression (Transcription)","Cell Cycle","Immune System",Hemostasis,"Programmed Cell Death","Cellular responses to external stim
uli","Transport of small molecules","Nervous system development","Signaling by Receptor Tyrosine Kinases","Signaling by GPCR","Metabolism of lipids","Signaling by Rho GTPases","Infectious disease","RN
A Polymerase II Transcription",Mitotic,"Intracellular signaling by second messengers","MTOR signalling","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immun
e System","Platelet homeostasis",Apoptosis,"Cellular responses to stress","Cytokine Signaling in Immune system","MAPK family signaling cascades","Signaling by Nuclear Receptors","Ion channel transport
","Signaling by Non-Receptor Tyrosine Kinases","Axon guidance","Signaling by NTRKs","GPCR downstream signalling","Sphingolipid metabolism","RHO GTPase Effectors","SARS-CoV Infections","Generic Transcr
iption Pathway","Mitotic G2-G2/M phases","DAG and IP3 signaling","mTORC1-mediated signalling","Signaling by NOTCH1 in Cancer","Regulation of mitotic cell cycle","Mitotic G1 phase and G1/S transition",
"Toll-like Receptor Cascades","HIV Infection","Nitric oxide stimulates guanylate cyclase","Caspase activation via extrinsic apoptotic signalling pathway","Cellular Senescence","Signaling by Interleuki
ns","Signaling by FGFR","MAPK1/MAPK3 signaling","M Phase","ESR-mediated signaling","Stimuli-sensing channels","Signaling by PTK6","Leishmania infection","Signaling by WNT in cancer","Semaphorin intera
ctions","Signaling by NTRK1 (TRKA)","G alpha (i) signalling events","Sphingolipid de novo biosynthesis","RHO GTPases activate PKNs","SARS-CoV-1 Infection","Transcriptional Regulation by TP53","G2/M Tr
ansition","CaM pathway","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","APC/C-mediated degradation of cell cycle proteins","G1/S Transition","L1CAM interactions","Toll Like Receptor 5 (TLR5) C
ascade","HIV Life Cycle","cGMP effects","Caspase activation via Dependence Receptors in the absence of ligand","Oxidative Stress Induced Senescence","Interleukin-2 family signaling","Signaling by FGFR
4","RAF/MAP kinase cascade","Mitotic Metaphase and Anaphase","Extra-nuclear estrogen signaling","PTK6 promotes HIF1A stabilization","Leishmania parasite growth and survival","Toll Like Receptor 2 (TLR
2) Cascade","G0 and Early G1","Signaling by AMER1 mutants","Sema4D in semaphorin signaling","Signalling to ERKs","Visual phototransduction","SARS-CoV-1 Genome Replication and Transcription","Regulatio
n of TP53 Activity","Centrosome maturation","Calmodulin induced events","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic p
roteins","Activation of the pre-replicative complex","Recycling pathway of L1","MyD88 cascade initiated on plasma membrane","Late Phase of HIV Life Cycle","Interleukin-15 signaling","Negative regulati
on of FGFR4 signaling","RAS processing","Mitotic Anaphase","Estrogen-stimulated signaling through PRKCZ","Anti-inflammatory response favouring Leishmania parasite infection","Toll Like Receptor TLR6:T
LR2 Cascade","Truncations of AMER1 destabilize the destruction complex","Sema4D induced cell migration and growth-cone collapse","Signalling to RAS","The phototransduction cascade","Replication of the
 SARS-CoV-1 genome","Regulation of TP53 Expression and Degradation","Loss of proteins required for interphase microtubule organization from the centrosome","APC/C:Cdc20 mediated degradation of mitotic
 proteins","MAP kinase activation","Transcription of the HIV genome","Regulation of TP53 Activity through Phosphorylation","Spry regulation of FGF signaling","Separation of Sister Chromatids","ADORA2B
 mediated anti-inflammatory cytokines production","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","p38MAPK events",Inactivation,"recovery and regulation of the phototransduction cascade","Regu
lation of TP53 Degradation","Loss of Nlp from mitotic centrosomes","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","MAPK targets/ Nuclear even
ts mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","HIV Transcription Elongation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","CREB phosphorylation","Tat-mediated elo
ngation of the HIV-1 transcript","ERK/MAPK targets","Formation of HIV-1 elongation complex containing HIV-1 Tat","ERKs are inactivated"}

> <broad_targets>
{CDK1,RPS6KB1}

> <broad_moa>
{"CDC inhibitor"}

> <synonyms>
{PHA-767491,PHA767491,845714-00-3,845714003,CAY10572,"PHA 767491","compound 8 (PMID: 17480064)","2-pyridin-4-yl-1,5,6,7-tetrahydropyrrolo(3,2-c)pyridin-4-one","2pyridin4yl1,5,6,7tetrahydropyrrolo(3,2c
)pyridin4one",PHA-767491A,PHA767491A,CAY10572(PHA-767491),CAY10572(PHA767491),"1,5,6,7-Tetrahydro-2-(4-pyridinyl)-4H-pyrrolo(3,2-c)pyridin-4-one","1,5,6,7Tetrahydro2(4pyridinyl)4Hpyrrolo(3,2c)pyridin4
one",2-(pyrid,2(pyrid,T6940,S2742,"EMD 217707","PHA767491 HCl",217707}

> <pdid>
PD010690

> <targets>
{CDK,"Cdc7/Cdk9 Inhibitor"}

> <classes>
{}

> <pubchem_cids>
{11715767}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 29 32  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
    0.3114    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
    3.8794    1.4442    0.0000 C   0  0
    4.8823    2.5608    0.0000 C   0  0
    4.4165    3.9867    0.0000 O   0  0
    6.3509    2.2515    0.0000 N   0  0
    7.3537    3.3681    0.0000 C   0  0
    8.8220    3.0612    0.0000 C   0  0
    9.8221    4.1792    0.0000 C   0  0
    9.3539    5.6042    0.0000 C   0  0
   10.3544    6.7228    0.0000 C   0  0
   11.8232    6.4182    0.0000 C   0  0
   12.8214    7.5377    0.0000 C   0  0
   12.3510    8.9621    0.0000 C   0  0
   10.8823    9.2668    0.0000 C   0  0
    9.8840    8.1472    0.0000 C   0  0
    7.8856    5.9113    0.0000 N   0  0
    6.8856    4.7933    0.0000 N   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 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000   -3.0000    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  3  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 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 12  1  0
  4 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 26 28  1  0
 28  2  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25453

> <plate>
PLATE 005

> <well>
A6

> <supplier_cmpd_name>
ETC-159

> <ctcr_id>
11688

> <supplier_cmpd_id>
T4043

> <smiles>
O=c1c2c(ncn2CC(=O)Nc2ccc(c3ccccc3)nn2)n(C)c(=O)n1C

> <pd_targets>
{PORCN}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Membrane bound O-acyltransferases"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by WNT in cancer","LGK974 inhibits PORCN"}

> <broad_targets>
{PORCN}

> <broad_moa>
{"beta catenin inhibitor","porcupine inhibitor"}

> <synonyms>
{TC15,ETC-159,ETC159,1638250-96-0,1638250960,ETC-1922159,ETC1922159,UNII-5L854240DQ,UNII5L854240DQ,CHEMBL3633802,"2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(6-phenylpyridazin-3-yl)acetamide","2(1,3dimeth
yl2,6dioxopurin7yl)N(6phenylpyridazin3yl)acetamide",5L854240DQ,SCHEMBL17626176,GTPL11168,BCP20688,EX-A2302,EXA2302,BDBM50133866,NSC809251,ZINC175660737,CS-5162,CS5162,ET,T4043}

> <pdid>
PD062918

> <targets>
{¦Â-catenin,Porcupine,Wnt}

> <classes>
{Cytoskeletal Signaling,Stem Cells,Stem Cell/Wnt}

> <pubchem_cids>
{86280523}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 28 32  0  0  1  0            999 V2000
    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  0  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  1  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
    1.2990    0.7500    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 N   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
    3.7260   -8.4895    0.0000 N   0  0
    3.1206   -9.8619    0.0000 C   0  0
    1.6283   -9.7103    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
  6  7  1  6
  3  8  1  6
  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 18  2  0
 18  9  1  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
 23 26  1  0
 26 27  2  0
 27 28  1  0
 28 22  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25454

> <plate>
PLATE 005

> <well>
A7

> <supplier_cmpd_name>
NCB-0846

> <ctcr_id>
11689

> <supplier_cmpd_id>
T4011

> <smiles>
C1C[C@H](CC[C@H]1O)Oc1cccc2cnc(nc12)Nc1cc2c(cc1)nc[nH]2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CB084,NCB-0846,NCB0846,1792999-26-8,1792999268,cis-4-(2-(3H-Benzo(d)imidazol-5-ylamino)quinazolin-8-yloxy)cyclohexanol,cis4(2(3HBenzo(d)imidazol5ylamino)quinazolin8yloxy)cyclohexanol,cis-4-((2-(1H-Be
nzimidazol-6-ylamino)-8-quinazolinyl)oxy)-cyclohexanol,cis4((2(1HBenzimidazol6ylamino)8quinazolinyl)oxy)cyclohexanol,Cis-4-((2-(1h-Benzimidazol-5-Ylamino)quinazolin-8-Yl)oxy)cyclohexanol,Cis4((2(1hBen
zimidazol5Ylamino)quinazolin8Yl)oxy)cyclohexanol,SCHEMBL1804,T4011}

> <pdid>
PD063722

> <targets>
{Wnt/beta-catenin,TNIK}

> <classes>
{"Cytoskeletal Signaling","Stem Cells"}

> <pubchem_cids>
{91801204}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 33 35  0  0  0  0            999 V2000
    6.0788   -1.3780    0.0000 C   0  0
    5.6342    0.0546    0.0000 C   0  0
    7.0971   -0.2769    0.0000 C   0  0
    6.6534    1.1562    0.0000 C   0  0
    6.2088    2.5888    0.0000 O   0  0
    8.1173    0.8252    0.0000 N   0  0
    9.1366    1.9269    0.0000 C   0  0
   10.6004    1.5959    0.0000 C   0  0
    9.5823    0.4944    0.0000 F   0  0
   11.0451    0.1633    0.0000 F   0  0
   11.6197    2.6975    0.0000 C   0  0
   13.0828    2.3667    0.0000 F   0  0
   12.6379    3.7990    0.0000 F   0  0
   11.1751    4.1301    0.0000 F   0  0
    4.1703    0.3856    0.0000 C   0  0
    3.7257    1.8182    0.0000 O   0  0
    3.1510   -0.7161    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5242    2.0130    0.0000 O   0  0
    0.0000    1.7286    0.0000 N   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 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  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
  8 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
  2 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 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
 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 18  1  0
 33 28  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25455

> <plate>
PLATE 005

> <well>
A8

> <supplier_cmpd_name>
RO4929097

> <ctcr_id>
6991

> <supplier_cmpd_id>
T6274

> <smiles>
CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)NC1C(=O)Nc2ccccc2c3ccccc13

> <pd_targets>
{APH1A,APH1B,NCSTN,PSEN1,PSEN2,PSENEN}

> <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"}

> <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>
{PSEN1}

> <broad_moa>
{"gamma secretase inhibitor"}

> <synonyms>
{SCHEMBL457497,CHEMBL2138161,HMS3655E07,BCP02623,NCGC00389635-02,NCGC0038963502,AK175998,S1575,RO4929097}

> <pdid>
PD003498

> <targets>
{Gamma-secretase,"Beta Amyloid"}

> <classes>
{}

> <pubchem_cids>
{11351859}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 34 38  0  0  0  0            999 V2000
   12.0848   -7.5450    0.0000 C   0  0
   10.5932   -7.3861    0.0000 O   0  0
    9.7086   -8.5985    0.0000 C   0  0
   10.3187   -9.9688    0.0000 C   0  0
    9.4371  -11.1824    0.0000 C   0  0
   10.0448  -12.5547    0.0000 O   0  0
    9.1609  -13.7677    0.0000 C   0  0
    9.7686  -15.1400    0.0000 C   0  0
    8.8870  -16.3536    0.0000 N   0  0
    9.4971  -17.7239    0.0000 C   0  0
   10.9889  -17.8807    0.0000 C   0  0
   11.8706  -16.6671    0.0000 C   0  0
   11.2604  -15.2968    0.0000 C   0  0
    7.9453  -11.0256    0.0000 C   0  0
    7.3352   -9.6553    0.0000 C   0  0
    8.2168   -8.4417    0.0000 C   0  0
    7.6035   -7.0719    0.0000 C   0  0
    6.1107   -6.9172    0.0000 C   0  0
    5.4984   -5.5497    0.0000 C   0  0
    4.0312   -5.2378    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
   -2.4133    1.7530    0.0000 C   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
    5.2447   -3.1359    0.0000 N   0  0
    6.2484   -4.2507    0.0000 N   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  3  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  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 24  1  0
 27 30  1  0
 30 31  2  0
 31 32  1  0
 32 26  1  0
 21 33  2  0
 33 34  1  0
 34 19  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25456

> <plate>
PLATE 005

> <well>
A9

> <supplier_cmpd_name>
PE859

> <ctcr_id>
11917

> <supplier_cmpd_id>
T4077

> <smiles>
COc1cc(OCc2ncccc2)ccc1/C=C/c1cc(/C=C/c2cc3c(cc2)cc[nH]3)n[nH]1

> <pd_targets>
{APP,MAPT}

> <pathway_gtopdb>
{"Membrane receptor","Other cytosolic protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Immune System","Neuronal System","Innate Immune System","Transmission across Chemical Synapses","Toll-like Receptor Cascades","Neurotransmitter receptors and postsynaptic signal transmission","Toll 
Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic events","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","TAK1 activates NFkB by phosp
horylation and activation of IKKs complex","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{PE859,1402727-29-0,1402727290,CHEMBL3953399,PE-859,SCHEMBL13467316,SCHEMBL15474781,BCP29187,EX-A1441,EXA1441,BDBM50198624,GT-863,GT863,"PE-859;PE 859","PE859;PE 859",CS-6428,CS6428,BS-15351,BS15351,H
Y-12662,HY12662,J3.589.738K,T4077}

> <pdid>
PD064939

> <targets>
{A¦Â,tau}

> <classes>
{Neuroscience,"Cytoskeletal Signaling",Proteases/Proteasome,"Stem Cells"}

> <pubchem_cids>
{66571561}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 25 25  0  0  0  0            999 V2000
    6.4983   -0.7414    0.0000 N   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
   -1.2990    0.7500    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
   -0.0079   -6.0003    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -3.9051   -5.2503    0.0000 Cl  0  0
   -1.3102   -9.7511    0.0000 N   0  3
   -2.6103  -10.4993    0.0000 O   0  0
   -0.0124  -10.5034    0.0000 O   0  5
   -2.5981    1.5000    0.0000 Cl  0  0
    8.9990   -4.5017    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
 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
 19 20  1  0
 17 21  1  0
 21 22  2  0
 21 23  1  0
  8 24  1  0
M  CHG  2  21   1  23  -1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25457

> <plate>
PLATE 005

> <well>
A10

> <supplier_cmpd_name>
HJC0152 hydrochloride

> <ctcr_id>
11559

> <supplier_cmpd_id>
T4234

> <smiles>
NCCOc1ccc(cc1C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])Cl.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"HJC0152 hydrochloride",HJC0152,1420290-99-8,1420290998,"2-(2-Aminoethoxy)-5-chloro-N-(2-chloro-4-nitrophenyl)benzamide HCl","2(2Aminoethoxy)5chloroN(2chloro4nitrophenyl)benzamide HCl",C15H14Cl3N3O4,
CHEMBL2326734,AOB4098,SYN5141,EX-A2899,EXA2899,s8561,CCG-268727,CCG268727,CS-8171,CS8171,AS-16505,AS16505,HY-100602,HY100602,A16806,T4234}

> <pdid>
PD057857

> <targets>
{STAT3,Apoptosis,STAT}

> <classes>
{JAK/STAT signaling,Stem Cells,Apoptosis,JAK/STAT Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{71719978}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 23 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
   -2.7248   -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
   -5.0972   -0.1561    0.0000 C   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
   -5.4360   -4.1109    0.0000 C   0  0
   -6.9276   -4.2702    0.0000 C   0  0
   -7.5356   -5.6415    0.0000 C   0  0
   -6.6519   -6.8536    0.0000 C   0  0
   -5.1604   -6.6944    0.0000 C   0  0
   -4.5525   -5.3231    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
    2.6071    5.9984    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  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  2  0
 11 12  1  0
 12 13  2  0
 13  7  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
  3 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25458

> <plate>
PLATE 005

> <well>
A11

> <supplier_cmpd_name>
CASIN

> <ctcr_id>
11560

> <supplier_cmpd_id>
T3971

> <smiles>
C1CC(c2c(C1)c1c([nH]2)ccc(c1)c1ccccc1)NCCO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{CDC42}

> <broad_moa>
{"GTPase inhibitor"}

> <synonyms>
{CASIN,425399-05-9,425399059,"2-((2,3,4,9-Tetrahydro-6-phenyl-1H-carbazol-1-yl)amino)ethanol","2((2,3,4,9Tetrahydro6phenyl1Hcarbazol1yl)amino)ethanol","2-((6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl
)amino)ethanol","2((6phenyl2,3,4,9tetrahydro1Hcarbazol1yl)amino)ethanol",6044-86-6,6044866,"2-((6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino)ethan-1-ol","2((6phenyl2,3,4,9tetrahydro1Hcarbazol1yl
)amino)ethan1ol",CBMicro_003660,CBMicro003660,CBMicro-003660,"CBMicro 003660",Oprea1_4,Oprea14,Oprea1-4,"Oprea1 4",T3971}

> <pdid>
PD017726

> <targets>
{STAT3}

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

> <pubchem_cids>
{2882155}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 24  0  0  0  0            999 V2000
    6.4964    0.7591    0.0000 O   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 N   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 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
    7.8003   -1.4887    0.0000 C   0  0
    9.0994   -0.7387    0.0000 C   0  0
   10.3984   -1.4887    0.0000 C   0  0
   10.3985   -2.9887    0.0000 C   0  0
    9.0995   -3.7387    0.0000 N   0  0
    7.8004   -2.9887    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  3
  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  6  1  0
 15 16  2  0
  2 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_L8000_Stem cell Differentiation Compound Library

> <id>
25459

> <plate>
PLATE 005

> <well>
B2

> <supplier_cmpd_name>
STAT5 Inhibitor

> <ctcr_id>
7604

> <supplier_cmpd_id>
T4216

> <smiles>
O=C(N/N=C/C1=COc2ccccc2C1=O)c3cccnc3

> <pd_targets>
{STAT5A}

> <pathway_gtopdb>
{"Transcription factor"}

> <pathway_chembl>
{}

> <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>
{"STAT5 Inhibitor",STAT5-IN-1,STAT5IN1,STAT5,285986-31-4,285986314,N'-((4-Oxo-4H-chromen-3-yl)methylene)nicotinohydrazide,N'((4Oxo4Hchromen3yl)methylene)nicotinohydrazide,N'-((4-oxo-4H-chromen-3-yl)me
thylene)nicotinohydrazide,N'((4oxo4Hchromen3yl)methylene)nicotinohydrazide,N-((E)-(4-oxochromen-3-yl)methylideneamino)pyridine-3-carboxamide,N((E)(4oxochromen3yl)methylideneamino)pyridine3carboxamide,
SCHEMBL2563928,T4216,nan}

> <pdid>
PD018627

> <targets>
{""}

> <classes>
{}

> <pubchem_cids>
{9566174}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 28 31  0  0  0  0            999 V2000
    4.7262    9.5513    0.0000 O   0  0
    3.6309    8.5266    0.0000 S   0  0
    3.9699    7.0645    0.0000 C   0  0
    5.4048    6.6274    0.0000 C   0  0
    5.7436    5.1661    0.0000 C   0  0
    4.6476    4.1420    0.0000 C   0  0
    4.9837    2.6793    0.0000 N   0  0
    3.8856    1.6562    0.0000 C   0  0
    4.2194    0.1938    0.0000 N   0  0
    3.1198   -0.8265    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
    0.0000    3.2286    0.0000 C   0  0
   -1.3515    1.0777    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   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 N   0  0
    1.4008   -2.9088    0.0000 C   0  0
   -1.4008   -2.9088    0.0000 O   0  0
    2.4522    2.0983    0.0000 N   0  0
    3.2127    4.5792    0.0000 C   0  0
    2.8739    6.0405    0.0000 C   0  0
    2.1958    8.9633    0.0000 N   0  0
    3.2913    9.9876    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  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  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 15 19  2  3
 19 18  1  0
 19 20  1  0
 20 21  1  0
 21 11  1  0
 21 22  1  0
 20 23  2  0
 12 24  2  3
 24  8  1  0
  6 25  1  0
 25 26  2  3
 26  3  1  0
  2 27  1  0
  2 28  2  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25460

> <plate>
PLATE 005

> <well>
B3

> <supplier_cmpd_name>
XMU-MP-1

> <ctcr_id>
11918

> <supplier_cmpd_id>
T4212

> <smiles>
O=S(C1=CC=C(NC2=NC=C3C(N(C)C(C=CS4)=C4C(N3C)=O)=N2)C=C1)(N)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MUMP,XMU-MP-1,XMUMP1,2061980-01-4,2061980014,5BS,"XMU MP 1",XUM-MP-1,XUMMP1,CHEMBL4554938,SCHEMBL20609709,BCP24967,EX-A2509,EXA2509,MFCD30377214,s8334,ZINC498035595,CCG-268844,CCG268844,CS-5818,CS581
8,NCGC00499183-01,NCGC0049918301,AK668911,AS-35295,AS35295,HY-100526,HY100526,Q27455626,T4212}

> <pdid>
PD057570

> <targets>
{MST1,MST2,Hippo (MST)}

> <classes>
{Stem Cells,Stem Cell/Wnt}

> <pubchem_cids>
{121499143}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 35 37  0  0  1  0            999 V2000
   -1.3067   -3.7399    0.0000 C   0  0
   -0.0048   -2.9949    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
    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
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 F   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 F   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
    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
    5.3273   -7.4917    0.0000 C   0  0
    6.7945   -7.8036    0.0000 N   0  0
    7.5445   -6.5046    0.0000 C   0  0
    6.5408   -5.3899    0.0000 N   0  0
    7.4039   -9.1723    0.0000 C   0  0
    8.8957   -9.3287    0.0000 C   0  0
    8.0146  -10.5424    0.0000 C   0  0
    6.5225  -10.3871    0.0000 C   0  0
    7.1329  -11.7581    0.0000 N   0  0
    6.2515  -12.9729    0.0000 C   0  0
    6.8620  -14.3440    0.0000 C   0  0
    5.9810  -15.5581    0.0000 C   0  0
    8.3538  -14.5003    0.0000 C   0  0
    7.4727  -15.7140    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  6  5  1  6
  6  7  1  0
  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
  4 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  1  0
 24 25  2  0
 25 21  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 32 35  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25461

> <plate>
PLATE 005

> <well>
B4

> <supplier_cmpd_name>
PF-03084014

> <ctcr_id>
11919

> <supplier_cmpd_id>
T6935

> <smiles>
CCC[C@H](N[C@H]1CCc2cc(F)cc(F)c2C1)C(=O)Nc1cn(cn1)C(C)(C)CNCC(C)(C)C

> <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>
{F0308401,Nirogacestat,PF-03084014,PF03084014,1290543-63-3,1290543633,PF-3084014,PF3084014,865773-15-5,865773155,"PF 3084014",UNII-QZ62892OFJ,UNIIQZ62892OFJ,"PF 03084014",QZ62892OFJ,Z-3181,Z3181,"PF-0
3084014 (PF-3084014)","PF03084014 (PF3084014)","Nirogacestat (USAN)","Nirogacestat (USAN/INN)",GTPL7746,CHEMBL1770916,SC,T6935}

> <pdid>
PD012628

> <targets>
{¦Ã secretase,Apoptosis,³-secretase}

> <classes>
{Neuroscience,Proteases/Proteasome,Stem Cells,Apoptosis,Neuronal Signaling,Stem Cell/Wnt}

> <pubchem_cids>
{46224413}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 28 30  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 O   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 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
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5117    0.0000 S   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    7.6939  -10.6297    0.0000 C   0  0
    9.1193  -10.1626    0.0000 C   0  0
    7.2254  -12.0546    0.0000 O   0  0
    5.7254  -12.0494    0.0000 C   0  0
    4.8390  -13.2605    0.0000 C   0  0
    5.3386  -14.6696    0.0000 C   0  0
    4.3641  -15.8100    0.0000 C   0  0
    2.8893  -15.5362    0.0000 C   0  0
    1.9120  -16.6752    0.0000 C   0  0
    0.4375  -16.3994    0.0000 C   0  0
    2.3890  -14.1221    0.0000 C   0  0
    3.3634  -12.9818    0.0000 C   0  0
    5.2668  -10.6212    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  2  3
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  3
 11  6  1  0
  2 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  2  3
 27 20  1  0
 19 28  2  3
 28 15  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25462

> <plate>
PLATE 005

> <well>
B5

> <supplier_cmpd_name>
iCRT3

> <ctcr_id>
11690

> <supplier_cmpd_id>
T4302

> <smiles>
O=C(NCCC1=CC=CC=C1)CSCC2=C(C)OC(C3=CC=C(CC)C=C3)=N2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{iCRT3,901751-47-1,901751471,iCRT-3,CHEMBL3589009,ChemDiv3_009799,ChemDiv3009799,ChemDiv3-009799,"ChemDiv3 009799",SCHEMBL12007212,AOB5647,HMS1500N09,BCP32691,EX-A2625,EXA2625,ZINC5057585,BDBM50094606
,CCG-268593,CCG268593,MCULE-4106397177,MCULE4106397177,IDI1_027709,IDI1027709,IDI1-027709,"IDI1 027709",NCGC00408921-01,NCGC0040892101,AK210257,BS-17818,BS17818,HY-103705,HY103705,CS-0033387,CS0033387
,FT-0775219,FT0775219,S8647,A168,T4302}

> <pdid>
PD039848

> <targets>
{Wnt,Wnt/¦Â-catenin}

> <classes>
{"Stem Cells"}

> <pubchem_cids>
{6622273}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 35 38  0  0  0  0            999 V2000
   -4.9530   -7.0195    0.0000 C   0  0
   -4.2043   -5.7197    0.0000 N   0  0
   -2.7035   -5.7172    0.0000 C   0  0
   -1.9530   -4.4184    0.0000 C   0  0
   -0.4530   -4.4190    0.0000 C   0  0
    0.2966   -5.7184    0.0000 C   0  0
   -0.4540   -7.0171    0.0000 C   0  0
   -1.9540   -7.0165    0.0000 C   0  0
    1.7974   -5.7210    0.0000 N   0  0
    2.5451   -7.0223    0.0000 C   0  0
    1.7928   -8.3210    0.0000 C   0  0
    2.5382   -9.6227    0.0000 C   0  0
    1.7837  -10.9191    0.0000 C   0  0
    0.2837  -10.9139    0.0000 C   0  0
   -0.4618   -9.6123    0.0000 C   0  0
    0.2927   -8.3159    0.0000 C   0  0
   -1.9625   -9.6071    0.0000 C   0  0
   -2.7192  -10.9023    0.0000 C   0  0
   -4.2192  -10.8947    0.0000 C   0  0
   -4.9626   -9.5919    0.0000 N   0  0
   -4.2060   -8.2967    0.0000 C   0  0
   -2.7060   -8.3042    0.0000 C   0  0
    2.5497   -4.4224    0.0000 C   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 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    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 S   0  0
    3.8805   -1.4410    0.0000 Cl  0  0
    6.5504   -4.7096    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  7  1  0
  7  8  1  0
  8  3  1  0
  6  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  2  3
 16 11  1  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
  9 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  3
 26 27  1  0
 27 28  2  3
 28 29  1  0
 29 30  2  3
 30 31  1  0
 31 32  2  3
 32 27  1  0
 32 33  1  0
 33 25  1  0
 26 34  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25463

> <plate>
PLATE 005

> <well>
B6

> <supplier_cmpd_name>
SAG hydrochloride (912545-86-9(free base))

> <ctcr_id>
11671

> <supplier_cmpd_id>
T4211

> <smiles>
CNC1CCC(CC1)N(CC2=CC=CC(=C2)C3=CC=NC=C3)C(=O)C4=C(C5=CC=CC=C5S4)Cl.Cl

> <pd_targets>
{SMO,FZD6,TRPC2,TRPC6,SHH}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel","Unclassified protein","Frizzled family G protein-coupled receptor","Voltage-gated ion channel","Smoothened receptor (frizzled family GPCR)","Transient receptor pote
ntial channel"}

> <pathway_chembl>
{Receptors,"Ion channels","G protein-coupled receptors","Voltage-gated ion channels","Class Frizzled GPCRs","Transient Receptor Potential channels"}

> <pathway_reactome>
{"Organelle biogenesis and maintenance",Disease,"Developmental Biology","Cilium Assembly","Diseases of signal transduction by growth factor receptors and second messengers","Nervous system development
","Cargo trafficking to the periciliary membrane","Signaling by WNT in cancer","Axon guidance","Hh mutants abrogate ligand secretion","BBSome-mediated cargo-targeting to cilium","Signaling by RNF43 mu
tants","Netrin-1 signaling","HHAT G278V doesn't palmitoylate Hh-Np","Role of second messengers in netrin-1 signaling"}

> <broad_targets>
{SMO,TRPC6}

> <broad_moa>
{"smoothened receptor agonist"}

> <synonyms>
{"SAG hydrochloride","SAG HCl","SAG (hydrochloride)",2095432-58-7,2095432587,"Smoothened Agonist (SAG) HCl","2095432-58-7 (HCl)","2095432587 (HCl)",EX-A3560,EXA3560,HY-12848B,HY12848B,s7779,CCG-269891
,CCG269891,AK685800,BS-15822,BS15822,CS-0077064,CS0077064,T4211,"SAG hydrochloride (912545-86-9(free base))"}

> <pdid>
PD019266

> <targets>
{Hedgehog/Smoothened}

> <classes>
{"GPCR/G Protein","Stem Cells"}

> <pubchem_cids>
{121540649}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 27 30  0  0  1  0            999 V2000
    0.8906   -7.7543    0.0000 C   0  0
    0.8403   -6.2551    0.0000 C   0  0
   -0.4810   -5.5489    0.0000 C   0  0  2  0  0  0
   -1.8348   -6.1949    0.0000 C   0  0
   -2.8675   -5.1069    0.0000 N   0  0
   -2.1519   -3.7886    0.0000 C   0  0
   -0.6928   -4.0817    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 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
   -2.7248    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 N   0  0
   -4.3533   -5.2996    0.0000 C   0  0
   -4.9296   -6.6845    0.0000 O   0  0
   -5.2654   -4.1077    0.0000 N   0  0
   -6.7537   -4.3007    0.0000 C   0  0
   -7.6658   -3.1088    0.0000 C   0  0
   -9.1533   -3.3017    0.0000 F   0  0
   -8.5768   -1.9171    0.0000 F   0  0
   -7.0895   -1.7239    0.0000 F   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  3  1  0
  7  8  1  6
  8  9  2  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 18  2  0
 18 14  1  0
 18 19  1  0
 19 11  1  0
 19  8  1  0
  5 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25464

> <plate>
PLATE 005

> <well>
B7

> <supplier_cmpd_name>
Upadacitinib

> <ctcr_id>
11536

> <supplier_cmpd_id>
T7503

> <smiles>
CC[C@@H]1CN(C[C@@H]1c4cnc3cnc2nccc2n34)C(=O)NCC(F)(F)F

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Upadacitinib,1310726-60-3,1310726603,ABT-494,ABT494,Rinvoq,UNII-4RA0KN46E0,UNII4RA0KN46E0,4RA0KN46E0,"1310726-60-3 (free base)","1310726603 (free base)",MFCD30502663,"Upadacitinib, ABT-494","Upadacit
inib, ABT494","Upadacitinib (USAN/INN)","Upadacitinib (USAN:INN)","Upadacitinib (ABT-494)","Upadacitinib (ABT494)",GTPL9246,SCHEMBL9991056,CHEMBL362,T7503}

> <pdid>

> <targets>
{JAK1,JAK2}

> <classes>
{"JAK/STAT signaling"}

> <pubchem_cids>
{58557659}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 22 23  0  0  0  0            999 V2000
    5.0987   -1.2614    0.0000 Cl  0  0
    2.5981   -1.5000    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 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 S   0  0
   -3.8974    0.7504    0.0000 O   0  0
   -2.5987    0.0002    0.0000 O   0  0
   -5.1981   -1.4992    0.0000 N   0  0
   -5.1012   -3.0033    0.0000 C   0  0
   -6.2014   -4.0229    0.0000 C   0  0
   -7.6846   -3.7984    0.0000 C   0  0
   -8.4337   -2.4989    0.0000 N   0  0
   -7.8848   -1.1029    0.0000 C   0  0
   -6.4512   -0.6617    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
  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
 13 15  2  0
 13 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 16  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25465

> <plate>
PLATE 005

> <well>
B8

> <supplier_cmpd_name>
Hydroxyfasudil Hydrochloride

> <ctcr_id>
1032

> <supplier_cmpd_id>
T4276

> <smiles>
Cl.Oc1nccc2c1cccc2[S](=O)(=O)N3CCCNCC3

> <pd_targets>
{ALDH1A1,KCNH2,PRKACA,ROCK1,HPGD,ROCK2,PRKACB,PRKACG,CCL2}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Membrane receptor",Oxidoreductase,"Voltage-gated ion channel",Kinase,Protease,"Family A G protein-coupled receptor","Potassium channels","Protein Kinase","Cysteine protease","Pe
ptide receptor (family A GPCR)","Voltage-gated potassium channel","AGC protein kinase group","Cysteine protease CA clan","Chemokine receptor","AGC protein kinase PKA family","AGC protein kinase DMPK f
amily","Cysteine protease C1A family","CC chemokine receptor","AGC protein kinase ROCK subfamily"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Voltage-gated ion channels","Kinases (EC 2.7.x.x)","Eicosanoid turnover","Potassium channels","AGC: Containing PKA",PKG,"PKC families","Prostaglandin synthases","Voltage-gated
 potassium channels","Protein kinase A (PKA) family","DMPK family","Rho kinase"}

> <pathway_reactome>
{Metabolism,"Muscle contraction","Cell Cycle","Developmental Biology","Signal Transduction","Biological oxidations","Cardiac conduction",Mitotic,"Nervous system development","Metabolism of lipids","Si
gnaling by GPCR","Phase I - Functionalization of compounds","Phase 3 - rapid repolarisation","Mitotic G2-G2/M phases","Axon guidance","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR 
ligand binding","Ethanol oxidation","G2/M Transition","Semaphorin interactions","Biosynthesis of DHA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Centrosome maturation","Sema4D in semaphorin 
signaling","Biosynthesis of D-series resolvins","Peptide ligand-binding receptors","Loss of proteins required for interphase microtubule organization from the centrosome","Sema4D induced cell migratio
n and growth-cone collapse","Chemokine receptors bind chemokines","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Hydroxyfasudil Hydrochloride",155558-32-0,155558320,"HA 1100 hydrochloride","Hydroxyfasudil HCl","Hydroxyfasudil (hydrochloride)","1-(1-Hydroxy-5-isoquinolinesulfonyl)homopiperazine Hydrochloride","
1(1Hydroxy5isoquinolinesulfonyl)homopiperazine Hydrochloride","HA-1100 hydrochloride;HA 1100 hydrochlorid","HA1100 hydrochloride;HA 1100 hydrochlorid",2415}

> <pdid>
PD005885

> <targets>
{ROCK}

> <classes>
{}

> <pubchem_cids>
{11371328}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 29 31  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
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 S   0  0
    1.2993   -3.7504    0.0000 O   0  0
    0.0007   -4.5008    0.0000 O   0  0
   -1.2993   -3.7521    0.0000 N   0  0
   -1.2993   -5.2529    0.0000 C   0  0
   -2.5968   -6.0056    0.0000 C   0  0
   -2.5937   -7.5056    0.0000 C   0  0
   -1.2931   -8.2530    0.0000 N   0  0
    0.0044   -7.5003    0.0000 C   0  0
    0.0013   -6.0003    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
  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
 10 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  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
  8 21  1  0
 21 22  2  0
 21 23  2  0
 21 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
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25466

> <plate>
PLATE 005

> <well>
B9

> <supplier_cmpd_name>
WAY 316606

> <ctcr_id>
11921

> <supplier_cmpd_id>
T4468

> <smiles>
FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCNCC1)S(=O)(=O)c1ccccc1

> <pd_targets>
{SFRP1,WNT3}

> <pathway_gtopdb>
{"Secreted protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Signal Transduction","Signaling by WNT","Signaling by GPCR","TCF dependent signaling in response to WNT","GPCR ligand binding","Negative regulation of TCF-dependent signaling by WNT ligand antagonis
ts","Class B/2 (Secretin family receptors)"}

> <broad_targets>
{SFRP1}

> <broad_moa>
{"secreted frizzled related protein inhibitor"}

> <synonyms>
{915759-45-4,915759454,"WAY 316606",WAY-316606,WAY316606,5-(phenylsulfonyl)-N-(piperidin-4-yl)-2-(trifluoromethyl)benzenesulfonamide,5(phenylsulfonyl)N(piperidin4yl)2(trifluoromethyl)benzenesulfonamid
e,CHEMBL495575,5-(benzenesulfonyl)-N-piperidin-4-yl-2-(trifluoromethyl)benzenesulfonamide,5(benzenesulfonyl)Npiperidin4yl2(trifluoromethyl)benzenesulfonamide,"915759-45-4 (free base)","915759454 (free
 base)",Benzenesulfonam,T4468}

> <pdid>
PD069710

> <targets>
{sFRP-1}

> <classes>
{Stem Cells,Stem Cell/Wnt}

> <pubchem_cids>
{16727102}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 14 15  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
   -2.7248    1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 S   0  0
   -1.7044   -2.3130    0.0000 O   0  0
   -4.1964   -1.5037    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  3
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13  7  1  0
 13 14  2  0
 14  4  1  0
M  CHG  2   1  -1   2   1
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25467

> <plate>
PLATE 005

> <well>
B10

> <supplier_cmpd_name>
Stattic

> <ctcr_id>
4939

> <supplier_cmpd_id>
T6308

> <smiles>
[O-][N+](=O)c1ccc2C=C[S](=O)(=O)c2c1

> <pd_targets>
{STAT3,RORC,HIF1A,FFP,KMT2A,MEN1,MTOR}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Epigenetic regulator","Nuclear receptor",Transferase,Reader,Kinase,"Nuclear hormone receptor subfamily 1",Bromodomain,"Protein Kinase","Nuclear hormone receptor subfami
ly 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 subfamily"}

> <pathway_chembl>
{"Other protein targets",Receptors,Enzymes,"Transcription factors","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","STAT transcription factors","1F. Retinoic acid-related orphans",Atypical,"Phospha
tidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cellular responses to external stimuli","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription"
,"Cellular responses to stress","Signaling by FGFR in disease","Generic Transcription Pathway","Cellular response to hypoxia","Signaling by FGFR1 in disease","Transcriptional regulation by RUNX3","Oxy
gen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional Regulation by TP53","FGFR1 mutant receptor activation","RUNX3 Regulates Immune Response and Cell Migration","Reg
ulation of TP53 Activity","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{Stattic,19983-44-9,19983449,"6-Nitrobenzo(b)thiophene 1,1-dioxide","6Nitrobenzo(b)thiophene 1,1dioxide","6-nitro-1-benzothiophene 1,1-dioxide","6nitro1benzothiophene 1,1dioxide","Benzo(b)thiophene, 6
-nitro-, 1,1-dioxide","Benzo(b)thiophene, 6nitro, 1,1dioxide","6-Nitrobenzo(b)thiophene-1,1-dioxide","6Nitrobenzo(b)thiophene1,1dioxide","STAT3 Inhibitor V, Stattic","1,1-DIOXIDE-6-NITRO-BENZO(B)THIOP
HENE","1,1DIOXIDE6NITROBENZO(B)THIOPHENE",T6308,S7024}

> <pdid>
PD010649

> <targets>
{STAT}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{2779853}

$$$$
TargetMol_L8000_Stem cell Differentiation Compound Library
  SciTegic11012413012D

 24 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
    5.1937   -3.0093    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 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 C   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -4.0312   -5.2379    0.0000 C   0  0
   -5.4984   -5.5497    0.0000 S   0  0
   -6.2484   -4.2507    0.0000 C   0  0
   -5.2447   -3.1360    0.0000 N   0  0
   -7.7409   -4.0938    0.0000 C   0  0
   -8.7075   -5.2344    0.0000 C   0  0
  -10.1833   -4.9658    0.0000 C   0  0
  -10.6886   -3.5535    0.0000 C   0  0
   -9.7181   -2.4097    0.0000 C   0  0
   -8.2423   -2.6783    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  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
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 13  1  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
 10 24  2  0
 24  6  1  0
M  END
> <name>
TargetMol_L8000_Stem cell Differentiation Compound Library

> <id>
25468

> <plate>
PLATE 005

> <well>
B11

> <supplier_cmpd_name>
KHS101 hydrochloride

> <ctcr_id>
8305

> <supplier_cmpd_id>
T5170

> <smiles>
CC(C)CNc1ccnc(NCc2csc(n2)c3ccccc3)n1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{TACC3}

> <broad_moa>
{"neural stem cell inducer"}

> <synonyms>
{1262770739,"1262770 73 9",KHS101,"N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine","N4isobutylN2((2phenylthiazol4yl)methyl)pyrimidine2,4diamine","N4 isobutyl N2 ((2 phenylthiazol 
4 yl)methyl)pyrimidine 2,4 diamine",KHS-101,KHS1,T5170,K4019,"KHS101 hydrochloride","KHS 101 hydrochloride"}

> <pdid>
PD003321

> <targets>
{PLK1,FGFR}

> <classes>
{Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{71304818,90488983}

$$$$
