TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 23 23  0  0  0  0            999 V2000
    7.5987   -1.2614    0.0000 H   0  3
    5.0987   -1.2614    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 I   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    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
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  2  0
 14 16  2  0
 14 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 17  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25599

> <plate>
PLATE 001

> <well>
A2

> <supplier_cmpd_name>
ML-7 hydrochloride

> <ctcr_id>
3040

> <supplier_cmpd_id>
.

> <smiles>
[H+].[Cl-].Ic1cccc2c1cccc2[S](=O)(=O)N3CCCNCC3

> <pd_targets>
{NPSR1,LMNA,GMNN,CYP3A4,CYP2D6,ROCK1,TP53,CYP2C19,CYP1A2,TSHR,LEF,MYLK,NFKB1,RORC,MTOR,CHRM1,NFO,MAPT,MAPK1,PMP22,KMT2A,MEN1,TRPC6}

> <pathway_gtopdb>
{"Membrane receptor","Other nuclear protein","Unclassified protein",Enzyme,"Transcription factor","Other cytosolic protein","Family A G protein-coupled receptor","Cytochrome P450",Kinase,Protease,"Nuc
lear receptor","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 2","Protein Kinase","Cytochrome P450 family 1","Metallo protease","Nuclear hormone receptor subfami
ly 1","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Cytochrome P450 family 2D","AGC protein kinase group","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Glycohormone 
receptor","Metallo protease MAE clan","CAMK protein kinase group","Nuclear hormone receptor subfamily 1 group F","Atypical protein kinase group","Neuropeptide receptor","Cytochrome P450 3A4","Cytochro
me P450 2D6","AGC protein kinase DMPK family","Cytochrome P450 2C19","Cytochrome P450 1A1","Metallo protease M34 family","CAMK protein kinase MLCK family","Nuclear hormone receptor subfamily 1 group F
 member 3","Atypical protein kinase PIKK family","AGC protein kinase ROCK subfamily","Atypical protein kinase FRAP subfamily","Epigenetic regulator","Ion channel",Hydrolase,Reader,"Voltage-gated ion c
hannel","Small molecule receptor (family A GPCR)",Bromodomain,"Transient receptor potential channel","Monoamine receptor","CMGC protein kinase group","Acetylcholine receptor","CMGC protein kinase MAPK
 family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Neuropeptide S receptor","CYP3 family","CYP2 family: drug metabolising subset","A
GC: Containing PKA",PKG,"PKC families","CYP1 family","Glycoprotein hormone receptors","CAMK: Calcium/calmodulin-dependent protein kinases","1F. Retinoic acid-related orphans",Atypical,"DMPK family","M
yosin Light Chain Kinase (MLCK) family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Rho kinase","FRAP subfamily","Ion channels","Voltage-gated ion channels","Acetylcholine recepto
rs (muscarinic)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Transient Receptor Potential channels","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Disease,"Cell Cycle",Metabolism,"Developmental Biology","Signal Transduction","Immune System","Gene expression (Transcription)","Infectious disease",Mitotic,"Metabolism of lipids","Biological oxidati
ons","Nervous system development","Cell Cycle Checkpoints","Signaling by Rho GTPases","Cytokine Signaling in Immune system","RNA Polymerase II Transcription","Leishmania infection","M Phase","Mitotic 
G1 phase and G1/S transition","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Axon guidance","G1/S DNA Damage Checkpoints","Uptake and actions o
f bacterial toxins","RHO GTPase Effectors","Signaling by Interleukins","Generic Transcription Pathway","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","G1/S Transition","Bio
synthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Semaphorin interactions","p53-Dependent G1/S DNA damage checkpoint","Uptake and function of anthrax toxins","RHO GTPases 
activate PAKs","Interleukin-1 family signaling","Transcriptional regulation by RUNX3","Transcriptional Regulation by TP53","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic
 Anaphase","Activation of the pre-replicative complex","Biosynthesis of maresins",Xenobiotics,"Sema4D in semaphorin signaling","p53-Dependent G1 DNA Damage Response","Interleukin-1 signaling","RUNX3 R
egulates Immune Response and Cell Migration","Regulation of TP53 Activity","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SP
Ms","CYP2E1 reactions","Sema4D induced cell migration and growth-cone collapse","Stabilization of p53","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP3K8 (TPL2)-dependent MAPK1
/3 activation","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","Neu
ronal System","Signaling by GPCR","Transmission across Chemical Synapses","Innate Immune System","GPCR ligand binding","Neurotransmitter receptors and postsynaptic signal transmission","Toll-like Rece
ptor Cascades","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Class A/1 (Rhodopsin-like receptors)","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR
5) Cascade","Netrin-1 signaling","Amine ligand-binding receptors","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","Role of second messengers in netrin-1 signaling",
"Muscarinic acetylcholine receptors","Activation of AMPK downstream of NMDARs","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{TRPC6}

> <broad_moa>
{"myosin light chain kinase inhibitor"}

> <synonyms>
{SCHEMBL1981350,110448-33-4,110448334,"ML-7 HYDROCHLORIDE","ML7 HYDROCHLORIDE","1-((5-Iodonaphthalen-1-yl)sulfonyl)-1,4-diazepane hydrochloride","1((5Iodonaphthalen1yl)sulfonyl)1,4diazepane hydrochlor
ide","ML-7 HCl","ML7 HCl","ML 7 hydrochloride","ML 7","ML-7 (hydrochloride)","ML7 (hydrochloride)",1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-1,1(5Iodonaphthalene1sulfonyl)1Hhexahydro1,"4-diazepine
 hydrochlori","4diazepine hydrochlori",T3050,EI-197,"EMD 475880","ML-7 hydrochloride",475880,ML-7?HCl}

> <pdid>
PD015772

> <targets>
{"Serine/threonin kinase",MLCK,ML-7,Hydrochloride}

> <classes>
{}

> <pubchem_cids>
{67236210,9803932}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 22 24  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.1271   -4.3729    0.0000 C   0  0
   -6.5954   -4.6799    0.0000 C   0  0
   -7.5954   -3.5619    0.0000 C   0  0
   -7.1272   -2.1369    0.0000 C   0  0
   -5.6590   -1.8298    0.0000 C   0  0
   -9.0636   -3.8690    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248    1.2135    0.0000 N   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
  9 18  1  0
 18 19  2  0
 18 20  1  0
 20  6  1  0
  4 21  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25600

> <plate>
PLATE 001

> <well>
A3

> <supplier_cmpd_name>
RPI-1

> <ctcr_id>
11398

> <supplier_cmpd_id>
.

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD039786

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

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

> <pubchem_cids>
{1749978}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 26 27  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 S   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4964   -0.7591    0.0000 O   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
  -11.6983    3.7390    0.0000 C   0  0
  -12.9978    2.9898    0.0000 C   0  0
  -11.6978    5.2390    0.0000 C   0  0
  -12.9970    4.4896    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
  8 25  1  0
 25 26  2  0
 26  5  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25601

> <plate>
PLATE 001

> <well>
A4

> <supplier_cmpd_name>
Tenovin-1

> <ctcr_id>
6293

> <supplier_cmpd_id>
.

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

> <pd_targets>
{RORC}

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

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

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

> <broad_targets>
{SIRT1}

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

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

> <pdid>
PD010272

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

> <classes>
{Apoptosis}

> <pubchem_cids>
{1013376}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 20 22  0  0  0  0            999 V2000
    1.1812   -9.7838    0.0000 Cl  0  0
    0.7130   -8.3588    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 O   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8805   -1.4410    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2449   -5.8157    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
    3.1813   -7.5478    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17  7  1  0
 17 12  1  0
  5 18  1  0
 18 19  2  0
 19  2  1  0
 19 20  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25602

> <plate>
PLATE 001

> <well>
A5

> <supplier_cmpd_name>
Apoptosis Activator 2

> <ctcr_id>
5018

> <supplier_cmpd_id>
.

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

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

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

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

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

> <broad_targets>
{BCHE,CES1}

> <broad_moa>
{"carboxylesterase inhibitor"}

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

> <pdid>
PD010511

> <targets>
{Caspase}

> <classes>
{Apoptosis}

> <pubchem_cids>
{1901244}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 12 11  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0992    0.7496    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25603

> <plate>
PLATE 001

> <well>
A6

> <supplier_cmpd_name>
Glucosamine

> <ctcr_id>
6285

> <supplier_cmpd_id>
.

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

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

> <pdid>
PD144372

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{24749}

$$$$
TargetMol_L9000_Apoptosis 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_L9000_Apoptosis Compound Library

> <id>
25604

> <plate>
PLATE 001

> <well>
A7

> <supplier_cmpd_name>
Sanguinarine chloride

> <ctcr_id>
10950

> <supplier_cmpd_id>
.

> <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_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 58 63  0  0  1  0            999 V2000
    2.2495    2.6548    0.0000 C   0  0
    3.6576    2.1380    0.0000 C   0  0
    4.8089    3.0995    0.0000 O   0  0
    3.9139    0.6592    0.0000 O   0  0
    2.7600   -0.3100    0.0000 C   0  0  1  0  0  0
    3.4900    0.9500    0.0000 C   0  0
    4.7600    0.2300    0.0000 O   0  0
    4.0400   -1.0400    0.0000 C   0  0  2  0  0  0
    4.0400   -2.4900    0.0000 C   0  0
    2.7600   -3.2200    0.0000 C   0  0  2  0  0  0
    2.7575   -4.7200    0.0000 O   0  0
    1.4900   -2.4900    0.0000 C   0  0  2  0  0  0
    1.4875   -3.9900    0.0000 C   0  0
    1.4900   -1.0400    0.0000 C   0  0  2  0  0  0
    0.2100   -0.3100    0.0000 C   0  0  2  0  0  0
    0.2081    1.1912    0.0000 O   0  0
    1.5064    1.9441    0.0000 C   0  0
    2.8067    1.1962    0.0000 O   0  0
    1.5045    3.4449    0.0000 C   0  0
    2.8011    4.1993    0.0000 C   0  0
    2.7961    5.6993    0.0000 C   0  0
    1.4946    6.4450    0.0000 C   0  0
    0.1980    5.6907    0.0000 C   0  0
    0.2030    4.1907    0.0000 C   0  0
   -1.0600   -1.0400    0.0000 C   0  0  1  0  0  0
   -1.0600    0.4600    0.0000 O   0  0
   -2.3300   -0.3100    0.0000 C   0  0
   -3.6100   -1.0400    0.0000 C   0  0  2  0  0  0
   -4.9097   -0.2889    0.0000 O   0  0
   -6.2103   -1.0379    0.0000 C   0  0
   -6.2111   -2.0379    0.0000 O   0  0
   -7.5097   -0.2869    0.0000 C   0  0  2  0  0  0
   -7.5086    1.2131    0.0000 O   0  0
   -8.8103   -1.0359    0.0000 C   0  0  1  0  0  0
   -8.8084   -2.5367    0.0000 N   0  0
   -7.5082   -3.2863    0.0000 C   0  0
   -6.6426   -2.7855    0.0000 O   0  0
   -7.5062   -4.7871    0.0000 O   0  0
   -6.2060   -5.5367    0.0000 C   0  0
   -6.2047   -6.5367    0.0000 C   0  0
   -4.9077   -4.7855    0.0000 C   0  0
   -4.9061   -6.2852    0.0000 C   0  0
  -10.1097   -0.2849    0.0000 C   0  0
  -11.4107   -1.0316    0.0000 C   0  0
  -12.7078   -0.2783    0.0000 C   0  0
  -12.7041    1.2217    0.0000 C   0  0
  -11.4032    1.9684    0.0000 C   0  0
  -10.1060    1.2152    0.0000 C   0  0
   -3.6100   -2.4900    0.0000 C   0  0
   -2.3300   -3.2200    0.0000 C   0  0
   -1.0600   -2.4900    0.0000 C   0  0  1  0  0  0
   -1.0600   -1.4900    0.0000 O   0  0
    0.2100   -3.2200    0.0000 C   0  0
    0.2075   -4.7200    0.0000 O   0  0
   -2.0200    0.2800    0.0000 C   0  0
   -0.9882    1.3687    0.0000 C   0  0
   -3.4648    0.6831    0.0000 C   0  0
   -4.9070   -3.2434    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8  5  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  6
 14 12  1  6
 14  5  1  0
 14 15  1  0
 15 16  1  1
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 15 25  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  0
 28 29  1  1
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  1
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 39 42  1  0
 34 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 43  1  0
 28 49  1  0
 49 50  2  3
 50 51  1  0
 51 52  1  1
 51 53  1  0
 53 12  1  0
 53 54  2  0
 50 55  1  0
 55 25  1  0
 55 56  1  0
 55 57  1  0
 49 58  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25605

> <plate>
PLATE 001

> <well>
A8

> <supplier_cmpd_name>
Docetaxel trihydrate

> <ctcr_id>
4639

> <supplier_cmpd_id>
.

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

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

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

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

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

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

> <broad_moa>
{"tubulin polymerization inhibitor"}

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

> <pdid>
PD003020

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{11970251}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 19 21  0  0  0  0            999 V2000
    4.4991   -8.4771    0.0000 O   0  0
    3.8490   -7.1253    0.0000 C   0  0
    2.3532   -7.0124    0.0000 C   0  0
    1.7031   -5.6606    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8805   -1.4410    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6923   -4.0811    0.0000 O   0  0
    4.0445   -4.5346    0.0000 C   0  0
    4.8897   -3.2954    0.0000 O   0  0
    4.6946   -5.8864    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15  6  1  0
 15 16  2  0
  5 17  1  0
 17 18  2  0
 17 19  1  0
 19  2  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25606

> <plate>
PLATE 001

> <well>
A9

> <supplier_cmpd_name>
Thalidomide

> <ctcr_id>
857

> <supplier_cmpd_id>
.

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

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

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

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

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

> <broad_targets>
{TNF}

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

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

> <pdid>
PD000977

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

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

> <pubchem_cids>
{5426}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 23 25  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -9.0952   -0.7567    0.0000 O   0  0
   -7.7926   -3.0046    0.0000 C   0  0
   -9.0904   -3.7567    0.0000 O   0  0
   -6.4923   -3.7525    0.0000 C   0  0
   -6.4900   -5.2525    0.0000 O   0  0
   -5.1945   -3.0005    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12  6  1  0
 12 13  2  0
 13  2  1  0
 10 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 22 14  1  0
  9 23  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25607

> <plate>
PLATE 001

> <well>
A10

> <supplier_cmpd_name>
Myricetin

> <ctcr_id>
5209

> <supplier_cmpd_id>
.

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

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

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

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

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

> <broad_targets>
{PIK3CG}

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

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

> <pdid>
PD002690

> <targets>
{MEK,Others}

> <classes>
{Others}

> <pubchem_cids>
{5281672}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 38 39  0  0  1  0            999 V2000
   -6.4717  -14.5676    0.0000 C   0  0
   -6.0099  -13.1405    0.0000 C   0  0
   -4.5425  -12.8257    0.0000 N   0  0
   -3.5342  -13.9374    0.0000 C   0  0
   -2.0679  -13.6212    0.0000 C   0  0
   -4.0804  -11.3978    0.0000 C   0  0
   -2.6130  -11.0830    0.0000 C   0  0
   -2.1509   -9.6551    0.0000 N   0  0
   -0.6835   -9.3403    0.0000 C   0  0
    0.3219  -10.4535    0.0000 O   0  0
   -0.2222   -7.9149    0.0000 C   0  0
    1.2028   -7.4466    0.0000 C   0  0
    2.4192   -8.3243    0.0000 C   0  0
    1.1979   -5.9466    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 O   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.1079   -6.7042    0.0000 C   0  0
   -2.6079   -6.7003    0.0000 C   0  0
    8.9536   -4.6590    0.0000 O   0  0
    8.9536   -6.1590    0.0000 C   0  0  1  0  0  0
    7.6536   -6.9090    0.0000 C   0  0
    6.3536   -6.1590    0.0000 C   0  0
    6.3536   -4.6590    0.0000 O   0  0
    5.0543   -6.9086    0.0000 O   0  0
   10.2536   -6.9090    0.0000 C   0  0
   10.2536   -8.4090    0.0000 O   0  0
   11.5529   -6.1594    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 17  1  0
 27 21  1  0
 15 28  2  0
 28 11  1  0
 28 29  1  0
 31 30  1  6
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 31 36  1  0
 36 37  1  0
 36 38  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25608

> <plate>
PLATE 001

> <well>
A11

> <supplier_cmpd_name>
Sunitinib

> <ctcr_id>
7456

> <supplier_cmpd_id>
.

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>

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

> <classes>
{}

> <pubchem_cids>
{6456015}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 23 25  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0  1  0  0  0
   -5.1962   -1.5000    0.0000 C   0  0  1  0  0  0
   -6.4952   -0.7500    0.0000 O   0  0
   -5.1961   -3.0000    0.0000 C   0  0  2  0  0  0
   -6.4952   -3.7500    0.0000 O   0  0
   -3.8971   -3.7500    0.0000 C   0  0  1  0  0  0
   -3.9002   -5.2509    0.0000 C   0  0
   -5.2003   -5.9990    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 11 10  1  6
 11 12  1  0
 12 13  1  6
 12 14  1  0
 14 15  1  1
 14 16  1  0
 16 17  1  6
 17 18  1  0
 16 19  1  0
 20 19  1  1
 20 11  1  0
 20 21  1  0
 21  7  1  0
 21 22  2  0
 22  3  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25609

> <plate>
PLATE 001

> <well>
B2

> <supplier_cmpd_name>
Bengenin

> <ctcr_id>
1582

> <supplier_cmpd_id>
.

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

> <pd_targets>
{IL6,TNF}

> <pathway_gtopdb>
{"Secreted protein"}

> <pathway_chembl>
{}

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

> <broad_targets>
{IL1B,TNF}

> <broad_moa>
{"interleukin inhibitor"}

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

> <pdid>
PD001569

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

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

> <pubchem_cids>
{6708706}

$$$$
TargetMol_L9000_Apoptosis 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_L9000_Apoptosis Compound Library

> <id>
25610

> <plate>
PLATE 001

> <well>
B3

> <supplier_cmpd_name>
Dasatinib monohydrate

> <ctcr_id>
6468

> <supplier_cmpd_id>
.

> <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_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 58 63  0  0  1  0            999 V2000
    2.2495    2.6548    0.0000 C   0  0
    3.6576    2.1380    0.0000 C   0  0
    4.8089    3.0995    0.0000 O   0  0
    3.9139    0.6592    0.0000 O   0  0
    2.7600   -0.3100    0.0000 C   0  0  1  0  0  0
    3.4900    0.9500    0.0000 C   0  0
    4.7600    0.2300    0.0000 O   0  0
    4.0400   -1.0400    0.0000 C   0  0  2  0  0  0
    4.0400   -2.4900    0.0000 C   0  0
    2.7600   -3.2200    0.0000 C   0  0  2  0  0  0
    2.7575   -4.7200    0.0000 O   0  0
    1.4900   -2.4900    0.0000 C   0  0  2  0  0  0
    1.4875   -3.9900    0.0000 C   0  0
    1.4900   -1.0400    0.0000 C   0  0  2  0  0  0
    0.2100   -0.3100    0.0000 C   0  0  2  0  0  0
    0.2081    1.1912    0.0000 O   0  0
    1.5064    1.9441    0.0000 C   0  0
    2.8067    1.1962    0.0000 O   0  0
    1.5045    3.4449    0.0000 C   0  0
    2.8011    4.1993    0.0000 C   0  0
    2.7961    5.6993    0.0000 C   0  0
    1.4946    6.4450    0.0000 C   0  0
    0.1980    5.6907    0.0000 C   0  0
    0.2030    4.1907    0.0000 C   0  0
   -1.0600   -1.0400    0.0000 C   0  0  1  0  0  0
   -1.0600    0.4600    0.0000 O   0  0
   -2.3300   -0.3100    0.0000 C   0  0
   -3.6100   -1.0400    0.0000 C   0  0  2  0  0  0
   -4.9097   -0.2889    0.0000 O   0  0
   -6.2103   -1.0379    0.0000 C   0  0
   -6.2111   -2.0379    0.0000 O   0  0
   -7.5097   -0.2869    0.0000 C   0  0  2  0  0  0
   -7.5086    1.2131    0.0000 O   0  0
   -8.8103   -1.0359    0.0000 C   0  0  1  0  0  0
   -8.8084   -2.5367    0.0000 N   0  0
   -7.5082   -3.2863    0.0000 C   0  0
   -6.6426   -2.7855    0.0000 O   0  0
   -7.5062   -4.7871    0.0000 O   0  0
   -6.2060   -5.5367    0.0000 C   0  0
   -6.2047   -6.5367    0.0000 C   0  0
   -4.9077   -4.7855    0.0000 C   0  0
   -4.9061   -6.2852    0.0000 C   0  0
  -10.1097   -0.2849    0.0000 C   0  0
  -11.4107   -1.0316    0.0000 C   0  0
  -12.7078   -0.2783    0.0000 C   0  0
  -12.7041    1.2217    0.0000 C   0  0
  -11.4032    1.9684    0.0000 C   0  0
  -10.1060    1.2152    0.0000 C   0  0
   -3.6100   -2.4900    0.0000 C   0  0
   -2.3300   -3.2200    0.0000 C   0  0
   -1.0600   -2.4900    0.0000 C   0  0  1  0  0  0
   -1.0600   -1.4900    0.0000 O   0  0
    0.2100   -3.2200    0.0000 C   0  0
    0.2075   -4.7200    0.0000 O   0  0
   -2.0200    0.2800    0.0000 C   0  0
   -0.9882    1.3687    0.0000 C   0  0
   -3.4648    0.6831    0.0000 C   0  0
   -4.9070   -3.2434    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8  5  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  6
 14 12  1  6
 14  5  1  0
 14 15  1  0
 15 16  1  1
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 15 25  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  0
 28 29  1  1
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  1
 32 34  1  0
 34 35  1  1
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 39 42  1  0
 34 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 43  1  0
 28 49  1  0
 49 50  2  3
 50 51  1  0
 51 52  1  1
 51 53  1  0
 53 12  1  0
 53 54  2  0
 50 55  1  0
 55 25  1  0
 55 56  1  0
 55 57  1  0
 49 58  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25611

> <plate>
PLATE 001

> <well>
B4

> <supplier_cmpd_name>
Docetaxel

> <ctcr_id>
4639

> <supplier_cmpd_id>
.

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

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

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

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

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

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

> <broad_moa>
{"tubulin polymerization inhibitor"}

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

> <pdid>
PD003020

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{11970251}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 13 14  0  0  1  0            999 V2000
    4.8823   -2.5608    0.0000 C   0  0
    6.3509   -2.2515    0.0000 C   0  0
    7.8187   -1.9424    0.0000 C   0  0
    3.8794   -1.4442    0.0000 N   0  0
    2.4133   -1.7530    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
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
  1  2  1  0
  2  3  3  0
  1  4  1  0
  5  4  1  6
  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 13  1  0
 13  5  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25612

> <plate>
PLATE 001

> <well>
B5

> <supplier_cmpd_name>
Rasagiline

> <ctcr_id>
11004

> <supplier_cmpd_id>
.

> <smiles>
C(C#C)N[C@H]1c2ccccc2CC1

> <pd_targets>
{MAOB,MAOA,ACHE,BCHE,BCL2}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase,"Ion channel",Hydrolase,"Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{Enzymes,"Catecholamine turnover","Other protein targets","Acetylcholine turnover","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Amine Oxidase reactions","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Immune System","Met
abolism of lipids","Innate Immune System","Phospholipid metabolism","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling pathways","Glycerophospholipid biosynthesis",In
flammasomes,"Synthesis of PC","The NLRP1 inflammasome"}

> <broad_targets>
{BCL2,MAOB}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{rasagiline,136236-51-6,136236516,"(R)-N-(2-Propynyl)-2,3-dihydroinden-1-amine","(R)N(2Propynyl)2,3dihydroinden1amine",Azilect,(R)-N-2-Propynyl-1-indanamine,(R)N2Propynyl1indanamine,"(R)-2,3-dihydro-N
-2-propynyl-1H-inden-1-amine","(R)2,3dihydroN2propynyl1Hinden1amine","1-Indanamine, N-2-propynyl-, (R)-","1Indanamine, N2propynyl, (R)",(1R)-N-(prop-2-yn-1-yl)-2,(1R)N(prop2yn1yl)2,3-dihydro-1H-inden-
1-amine,3dihydro1Hinden1amine,T1119,Rasagiline}

> <pdid>
PD006676

> <targets>
{Bcl-2,MAO-A,MAO-B}

> <classes>
{Apoptosis,Metabolism}

> <pubchem_cids>
{3052776}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 12 12  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  5  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25613

> <plate>
PLATE 001

> <well>
B6

> <supplier_cmpd_name>
Methyl protocatechuate

> <ctcr_id>
11400

> <supplier_cmpd_id>
.

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

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

> <pathway_gtopdb>
{Enzyme,Oxidoreductase,Lyase}

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

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

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD055619

> <targets>
{Antioxidant}

> <classes>
{oxidation-reduction}

> <pubchem_cids>
{287064}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 17 18  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
   -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
    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  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 10 15  1  0
 15  7  2  0
 15 16  1  0
 16  2  1  0
 16 17  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25614

> <plate>
PLATE 001

> <well>
B7

> <supplier_cmpd_name>
Theophylline-7-acetic acid

> <ctcr_id>
2112

> <supplier_cmpd_id>
.

> <smiles>
CN1C(=O)N(C)c2ncn(CC(O)=O)c2C1=O

> <pd_targets>
{ADORA2B}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Nucleotide-like receptor (family A GPCR)","Adenosine receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Adenosine receptors"}

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory 
cytokines production"}

> <broad_targets>
{ADORA1}

> <broad_moa>
{"adenosine receptor agonist"}

> <synonyms>
{652-37-9,652379,"652 37 9","Theophylline-7-acetic acid","Theophylline7acetic acid","Theophylline 7 acetic acid",Acephylline,"Theophyllineacetic acid","Theophyllin-7-ylacetic acid","Theophyllin7ylacet
ic acid","Theophyllin 7 ylacetic acid",7-(Carboxymethyl)theophylline,7(Carboxymethyl)theophylline,"7 (Carboxymethyl)theophylline","7-Theophyllinylacetic acid","7Theophyllinylacetic acid","7 Theophylli
nylacetic acid","7-Theophyllineacetic acid","7Theophyllineacetic acid","7 Theophyllineacetic acid",UNII-M494UE2YEP,UNIIM494UE2YEP,"UNII M494UE2YEP","NSC 52996",(1,3-Dimeth,3Dimeth,"3 Dimeth",T2205,Pre
stw-1507,Acefylline}

> <pdid>
PD000487

> <targets>
{Adenosine Receptor,Phosphodiesterase (PDE),Protein Arginine Deiminase}

> <classes>
{Epigenetics,GPCR/G Protein,Metabolic Enzyme/Protease}

> <pubchem_cids>
{69550}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 27 31  0  0  1  0            999 V2000
    2.5228   -3.0436    0.0000 C   0  0
    1.2626   -2.2300    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 O   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 C   0  0
   -1.2991    3.7500    0.0000 O   0  0
    1.2990    3.7500    0.0000 N   0  0
    1.6105    5.2165    0.0000 C   0  0
    3.1022    5.3733    0.0000 C   0  0
    3.7123    4.0030    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    5.2030    3.8457    0.0000 N   0  0
    6.0847    5.0592    0.0000 C   0  0
    7.5764    4.9024    0.0000 C   0  0
    8.4581    6.1160    0.0000 C   0  0
    7.8480    7.4863    0.0000 C   0  0
    6.3562    7.6431    0.0000 C   0  0
    5.4745    6.4295    0.0000 C   0  0
    3.9828    6.5863    0.0000 C   0  0
    8.7297    8.6998    0.0000 O   0  0
    2.5793    0.0316    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  2  0
  5 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 12  1  0
 16 17  2  0
 17  4  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 24  1  0
 24 19  1  0
 24 25  2  0
 25 14  1  0
 22 26  1  0
  3 27  1  6
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25615

> <plate>
PLATE 001

> <well>
B8

> <supplier_cmpd_name>
10-Hydroxycamptothecin

> <ctcr_id>
11035

> <supplier_cmpd_id>
.

> <smiles>
CC[C@@]1(c2c(COC1=O)c(=O)n1Cc3c(c1c2)nc1ccc(cc1c3)O)O

> <pd_targets>
{CASP1,KMT2A,MEN1,CYP3A4,CASP7,RORC,IMPA1,HBB,TOP1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor","Secreted protein",Protease,Reader,"Cytochrome P450","Nuclear receptor",Hydrolase,Isomerase,"Cysteine protease",Bromodomain,"Cytochrome P450 famil
y 3","Nuclear hormone receptor subfamily 1","Cysteine protease CD clan","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F","Cysteine protease C14 family","Cytochrome P450 3A4",
"Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Peptidases and proteinases","Cytochrome P450","Nuclear hormone receptors","Inositol phosphate turnover","DNA topoisomerases","CD: Cysteine (C) Peptidases","CYP3 family","1F. Retino
ic acid-related orphans","Inositol monophosphatase","C14: Caspase"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Programmed Cell Death","Immune System","Metabolism of proteins","RNA Polymerase II Transcription","Metabolism of lipids",Apoptosis,"Inositol phosphate me
tabolism","Innate Immune System","Post-translational protein modification","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Intrinsic Pathway for Apoptosis"
,"Synthesis of IP2",IP,"and Ins in the cytosol","Neutrophil degranulation",SUMOylation,"Transcriptional Regulation by TP53","Biosynthesis of DHA-derived SPMs","Apoptotic factor-mediated response","Tra
nscriptional regulation by RUNX3","SUMO E3 ligases SUMOylate target proteins","TP53 Regulates Transcription of Cell Death Genes","Biosynthesis of maresins","Cytochrome c-mediated apoptotic response","
RUNX3 Regulates Immune Response and Cell Migration","SUMOylation of DNA replication proteins","TP53 Regulates Transcription of Caspase Activators and Caspases","Biosynthesis of maresin-like SPMs","Act
ivation of caspases through apoptosome-mediated cleavage"}

> <broad_targets>
{TOP1}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{10-Hydroxycamptothecin,10Hydroxycamptothecin,19685-09-7,19685097,(S)-10-Hydroxycamptothecin,(S)10Hydroxycamptothecin,Hydroxycamptothecin,10-hydroxycamptothecine,10hydroxycamptothecine,Hydroxycamptoth
ecine,10-Hydroxy-Camptothecin,10HydroxyCamptothecin,"Camptothecin, hydroxy-","Camptothecin, hydroxy","10-Hydroxy camptothecin","10Hydroxy camptothecin",UNII-9Z01632KRV,UNII9Z01632KRV,NSC107124,Irin,T1
521,T2764,T4952,"Hydroxy Camptothecine",10-Hydroxycampothecin}

> <pdid>
PD001274

> <targets>
{Topo I,Apoptosis,Topoisomerase}

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

> <pubchem_cids>
{97226}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 29 33  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0  1  0  0  0
   -3.8971    3.7500    0.0000 O   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 C   0  0
   -6.8067    5.2164    0.0000 C   0  0
   -8.2985    5.3732    0.0000 C   0  0  1  0  0  0
   -8.9086    4.0029    0.0000 O   0  0
   -7.7943    2.9999    0.0000 C   0  0
   -7.7942    1.4999    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
   -9.0503    6.6692    0.0000 C   0  0
   -8.3026    7.9695    0.0000 C   0  0
  -10.5503    6.6670    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 11  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 10  1  0
 18 19  1  0
 19 20  2  0
 21 19  1  6
 21  8  1  0
 21 22  1  0
 22  5  2  0
 22 23  1  0
 23 24  2  0
 24  3  1  0
 24 25  1  0
 25 26  1  0
 13 27  1  1
 27 28  1  0
 27 29  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25616

> <plate>
PLATE 001

> <well>
B9

> <supplier_cmpd_name>
Rotenone

> <ctcr_id>
5504

> <supplier_cmpd_id>
.

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

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

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

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

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

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD002240

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

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

> <pubchem_cids>
{6758}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 18 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8934   -5.2570    0.0000 C   0  0
   -5.1924   -6.0071    0.0000 C   0  0
   -6.4914   -5.2571    0.0000 C   0  0
   -7.7905   -6.0071    0.0000 O   0  0
   -6.4915   -3.7571    0.0000 C   0  0
   -7.7905   -3.0071    0.0000 O   0  0
   -5.1925   -3.0071    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
 17 10  1  0
  7 18  2  0
 18  2  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25617

> <plate>
PLATE 001

> <well>
B10

> <supplier_cmpd_name>
Piceatannol

> <ctcr_id>
7259

> <supplier_cmpd_id>
.

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

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

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

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

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

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

> <broad_moa>
{"SYK inhibitor"}

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

> <pdid>
PD002653

> <targets>
{Syk,Others}

> <classes>
{}

> <pubchem_cids>
{667639}

$$$$
TargetMol_L9000_Apoptosis 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 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -7.7926   -3.0046    0.0000 C   0  0
   -9.0904   -3.7567    0.0000 O   0  0
   -6.4923   -3.7525    0.0000 C   0  0
   -6.4900   -5.2525    0.0000 O   0  0
   -5.1945   -3.0005    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12  6  1  0
 12 13  2  0
 13  2  1  0
 10 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  2  0
 21 14  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25618

> <plate>
PLATE 001

> <well>
B11

> <supplier_cmpd_name>
Luteolin

> <ctcr_id>
5413

> <supplier_cmpd_id>
.

> <smiles>
Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3

> <pd_targets>
{AKR1B1,NA,ACHE,TOP1,CYP1A1,LMNA,MAPT,HIF1A,ADORA1,MMP12,FLT3,MAPK14,LCK,XDH,CDK2,CD38,FASN,ELANE,REP,CYP3A4,UREA,UREB,TTR,IP6K2,BLM,POLB,SMN1,PARP1,CA7,FABZ,FABI,GLO1,CYP1B1,RECQL,RORC,ALOX12,DPP3,GS
K3A,GSK3B,CYP1A2,KDM4E,THRB,LOX1.1,AURKB,PRSS1,NANH,MMP2,TNKS,DPP4,ALOX15,GPR35,MMP3,MMP9,TNKS2,PBRM1,CSNK2A2,CSNK2B,LEF,GAA,APP,CA12,POL,AMY1A,KMT2A,MEN1,GALK1,HSD17B10,ALDH1A1,MEX-5,PIM1,CA3,CA4,DAP
K1,MAOA,NKX2-5,MMP13,SYK,ALOX5,CDK5,CDK5R1,CCNB1,CCNB2,CCNB3,CDK1,PSIP1,DXR,CA2,HPGD,POS-1,CSNK2A1,CSNK2A3,FABG,LAP3,MAOB,TSHR,CA1,GLA,CYP2D6,CYP2C9,ARG1,IPMK,CYP2C19,FFP,MAPK10,PTGS2,AKR1B10,NOX4,ABC
B1,PPARG,PSMB5,GATA4,SLC6A3,NS3,ABCG2}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Other cytosolic protein","Transcription factor","Membrane receptor","Secreted protein","Epigenetic regulator","Unclassified protein",Transporter,Oxidoreductase,Hydrola
se,Isomerase,"Cytochrome P450","Family A G protein-coupled receptor",Protease,Kinase,Transferase,Reader,Lyase,"Nuclear receptor",Eraser,"Primary active transporter","Electrochemical transporter","Cyto
chrome P450 family 1","Small molecule receptor (family A GPCR)","Metallo protease","Protein Kinase","Serine protease","Cytochrome P450 family 3","Methyl-lysine/arginine binding protein","Nuclear hormo
ne receptor subfamily 1","Lysine demethylase",Bromodomain,"Cysteine protease","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","ATP-binding cassette","Threonine protease","SLC superfamily
 of solute carriers","Cytochrome P450 family 1A","Nucleotide-like receptor (family A GPCR)","Metallo protease MAM clan","TK protein kinase group","CMGC protein kinase group","Serine protease PA clan",
"Cytochrome P450 family 3A","Tudor domain","Cytochrome P450 family 1B","Nuclear hormone receptor subfamily 1 group F","Metallo protease MAE clan","Jumonji domain-containing","Nuclear hormone receptor 
subfamily 1 group A","Other protein kinase group","Serine protease SC clan","Carboxylic acid receptor","CAMK protein kinase group","Cysteine protease CA clan","Metallo protease MF clan","Glycohormone 
receptor","Cytochrome P450 family 2D","Cytochrome P450 family 2C","ABCB subfamily","Nuclear hormone receptor subfamily 1 group C","Threonine protease PBT clan","SLC06 neurotransmitter transporter fami
ly","ABCG subfamily","Cytochrome P450 1A1","Adenosine receptor","Metallo protease M10A subfamily","Tyrosine protein kinase PDGFR family","CMGC protein kinase MAPK family","Tyrosine protein kinase Src 
family","CMGC protein kinase CDK family","Serine protease S1A subfamily","Cytochrome P450 3A4","Cytochrome P450 1B1","Nuclear hormone receptor subfamily 1 group F member 3","Metallo protease M49 famil
y","CMGC protein kinase GSK family","Nuclear hormone receptor subfamily 1 group A member 2","Metallo protease M1 family","Other protein kinase AUR family","Serine protease S9B subfamily","Kynurenic ac
id receptor","Other protein kinase CK2 family","Metallo protease M34 family","CAMK protein kinase PIM family","CAMK protein kinase DAPK family","Tyrosine protein kinase Syk family","Cysteine protease 
C1A family","Metallo protease M17 family","Cytochrome P450 2D6","Cytochrome P450 2C9","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group C member 3","Threonine protease T1A subfamily",
"CMGC protein kinase p38 subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase JNK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"1.-.-.- Oxidoreductases","Acetylcholine turnover","DNA topoisomerases","Cytochrome P450","G protein-coupled receptors","Peptidases and proteina
ses","Catalytic receptors","Kinases (EC 2.7.x.x)","Abscisic acid receptor complex","2.3.1.-  Acyltransferases","Anti-infective targets",Transthyretin,"Poly ADP-ribose polymerases","Carbonic anhydrases
","Nuclear hormone receptors","Eicosanoid turnover","Chromatin modifying enzymes","Bromodomain-containing proteins","3.2.1.- Glycosidases","Catecholamine turnover","L-Arginine turnover","NADPH oxidase
s","ATP-binding cassette transporter family","SLC superfamily of solute carriers","CYP1 family","Adenosine receptors","MA: Metallo (M) Peptidases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"
CLK families","PA: Serine (S) Peptidases","Viral protein targets","CYP3 family","1F. Retinoic acid-related orphans",Lipoxygenases,"1.14.11.- Histone demethylases","1A. Thyroid hormone receptors","SC: 
Serine (S) Peptidases","Orphan and other 7TM receptors","Non-enzymatic BRD containing proteins","CAMK: Calcium/calmodulin-dependent protein kinases","Prostaglandin synthases","MF: Metallo (M) Peptidas
es","Glycoprotein hormone receptors","CYP2 family: drug metabolising subset",Arginase,Cyclooxygenase,"ABCB subfamily","1C. Peroxisome proliferator-activated receptors","PB: Threonine (T) Peptidases","
SLC6 neurotransmitter transporter family","ABCG subfamily","M10: Matrix metallopeptidase","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Cyclin-dependent kinase (CDK) family"
,"S1: Chymotrypsin","Coronavirus (CoV) proteins","M49: Dipeptidyl-peptidase III","Other protein kinases","S9: Prolyl oligopeptidase","Class A Orphans","Glycogen synthase kinase (GSK) family","PIM fami
ly","Death-associated kinase (DAPK) family","M17: Leucyl aminopeptidase","T1: Proteasome","Monoamine transporter subfamily","Receptor tyrosine kinases (RTKs)","p38 subfamily","Non-receptor tyrosine ki
nases (nRTKs)","CDK1 subfamily","Aurora kinase (Aur) family","GSK subfamily","JNK subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Src family","Syk family"}

> <pathway_reactome>
{Metabolism,"Metabolism of proteins","Cell Cycle","Neuronal System","Cellular responses to external stimuli","Signal Transduction","Extracellular matrix organization","Immune System",Disease,"Gene exp
ression (Transcription)","DNA Repair","Metabolism of RNA","Developmental Biology","Transport of small molecules","Programmed Cell Death","Metabolism of lipids","Post-translational protein modification
","Biological oxidations",Mitotic,"Transmission across Chemical Synapses","Cellular responses to stress","Signaling by GPCR","Degradation of the extracellular matrix","Signaling by Receptor Tyrosine K
inases","Innate Immune System","Infectious disease","Metabolism of nucleotides","RNA Polymerase II Transcription","Metabolism of vitamins and cofactors","Cytokine Signaling in Immune system","DNA Doub
le-Strand Break Repair","Base Excision Repair","Metabolism of non-coding RNA","Reversible hydration of carbon dioxide","The citric acid (TCA) cycle and respiratory electron transport","Nervous system 
development","Intracellular signaling by second messengers","Peptide hormone metabolism","Diseases of metabolism","Metabolism of amino acids and derivatives","Diseases of signal transduction by growth
 factor receptors and second messengers","O2/CO2 exchange in erythrocytes",Apoptosis,"Inositol phosphate metabolism","Abacavir transport and metabolism","Disorders of transmembrane transporters","Meta
bolism of steroids","Phospholipid metabolism",SUMOylation,"Phase I - Functionalization of compounds","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Cellular response to h
ypoxia","GPCR ligand binding","Collagen degradation","Signaling by Insulin receptor","Toll-like Receptor Cascades","HIV Infection","Nucleobase catabolism","Generic Transcription Pathway","Metabolism o
f water-soluble vitamins and cofactors","Complement cascade","SARS-CoV Infections","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR downstream signalling","Interferon Signaling","Homo
logy Directed Repair","Resolution of Abasic Sites (AP sites)","snRNP Assembly","Influenza Infection","Pyruvate metabolism and Citric Acid (TCA) cycle","Axon guidance","PIP3 activates AKT signaling","I
ncretin synthesis",secretion,"and inactivation","Uptake and actions of bacterial toxins","Diseases of carbohydrate metabolism","Diseases of glycosylation","Branched-chain amino acid catabolism","FLT3 
signaling in disease","Erythrocytes take up carbon dioxide and release oxygen","Caspase activation via extrinsic apoptotic signalling pathway","Leishmania infection","Signaling by Interleukins","Sphin
golipid metabolism","Neutrophil degranulation","Synthesis of IPs in the nucleus","Metabolism of fat-soluble vitamins","Abacavir transmembrane transport","Regulation of mitotic cell cycle","SLC transpo
rter disorders","Metabolism of steroid hormones","Glycerophospholipid biosynthesis","SUMO E3 ligases SUMOylate target proteins","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and An
aphase","Activation of NMDA receptors and postsynaptic events","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Class A/1 (Rhodopsin-like receptors)","Insulin receptor signa
lling cascade","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","Purine catabolism","Transcriptional Regulation by TP53","Nicotinate metabolism","Regulation of cholesterol bios
ynthesis by SREBP (SREBF)","Regulation of Complement cascade","SARS-CoV-1 Infection","Biosynthesis of DHA-derived SPMs","G alpha (i) signalling events","Interferon alpha/beta signaling","HDR through H
omologous Recombination (HRR) or Single Strand Annealing (SSA)","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Influenza Viral RNA Transcription and Replication","Pyru
vate metabolism","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","Cobalamin (Cbl","vitamin B12) transport and metabolism","EPH-Ephrin signaling","PTEN Regulation",Synthesis,"a
nd inactivation of Glucagon-like Peptide-1 (GLP-1)","G alpha (q) signalling events","Transcriptional regulation by RUNX1","Uptake and function of anthrax toxins","Glycogen storage diseases","Diseases 
associated with glycosylation precursor biosynthesis","Ethanol oxidation","Signaling by FLT3 ITD and TKD mutants","Caspase activation via Dependence Receptors in the absence of ligand","Amine Oxidase 
reactions","Transcriptional regulation by RUNX2","Leishmania parasite growth and survival","HIV Life Cycle","Interleukin-12 family signaling","Glycosphingolipid metabolism","Virus Assembly and Release
","Retinoid metabolism and transport","Transcriptional Regulation by MECP2","APC/C-mediated degradation of cell cycle proteins","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Pregn
enolone biosynthesis","Synthesis of PC","SUMOylation of DNA replication proteins",Xenobiotics,"Mitotic Anaphase","Post NMDA receptor activation events","Nucleotide-like (purinergic) receptors","IRS-me
diated signalling","MyD88 cascade initiated on plasma membrane","The role of Nef in HIV-1 replication and disease pathogenesis","Regulation of TP53 Activity","Activation of gene expression by SREBF (S
REBP)","SARS-CoV-1 Genome Replication and Transcription","Biosynthesis of maresins","Visual phototransduction","HDR through Homologous Recombination (HRR)","PCNA-Dependent Long Patch Base Excision Rep
air","vRNA Synthesis","Endogenous sterols","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","SUMOylation of intracellular receptors","EPH-ephrin mediated repulsion of
 cells","Regulation of PTEN stability and activity","Gastrin-CREB signalling pathway via PKC and MAPK","RUNX1 interacts with co-factors whose precise effect on RUNX1 targets is not known","Glycogen st
orage disease type II (GAA)","Defective GALK1 can cause Galactosemia II (GALCT2)","STAT5 activation downstream of FLT3 ITD mutants","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and
 MAOB","RUNX2 regulates genes involved in cell migration","Anti-inflammatory response favouring Leishmania parasite infection","Early Phase of HIV Life Cycle","Biosynthesis of D-series resolvins","Int
erleukin-12 signaling","Assembly of Viral Components at the Budding Site","MECP2 regulates transcription factors","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Nuclea
r Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Adenosine P1 receptors","PI3K Cascade","MAP kinase activation","Nef-mediates down modulation of cell surface receptors by recruit
ing them to clathrin adapters","Regulation of TP53 Expression and Degradation","Replication of the SARS-CoV-1 genome","Biosynthesis of maresin-like SPMs","The canonical retinoid cycle in rods (twiligh
t vision)","Homologous DNA Pairing and Strand Exchange","Biosynthesis of DPAn-3-derived maresins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Separation of Sister Chromatids","
Biosynthesis of DPAn-3-derived protectins and resolvins","EGFR Transactivation by Gastrin","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","FCGR3A-mediated IL10 synthesis","Bio
synthesis of DPAn-3-derived 13-series resolvins","Integration of provirus","ADORA2B mediated anti-inflammatory cytokines production","Gene and protein expression by JAK-STAT signaling after Interleuki
n-12 stimulation","CYP2E1 reactions","Transport of HA trimer","NA tetramer and M2 tetramer from the endoplasmic reticulum to the Golgi Apparatus","APC/C:Cdc20 mediated degradation of mitotic proteins"
,"Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","Regulation of TP53 Degradation","Presynaptic phase of homo
logous DNA pairing and strand exchange","2-LTR circle formation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Activation of the AP-1 famil
y of transcription factors","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{TOP1}

> <broad_moa>
{"glucosidase inhibitor"}

> <synonyms>
{luteolin,491-70-3,491703,"3',4',5,7-Tetrahydroxyflavone","3',4',5,7Tetrahydroxyflavone",Digitoflavone,Luteolol,"2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one","2(3,4Dihydroxyphenyl)5,7dihydr
oxy4Hchromen4one",Flacitran,Luteoline,Salifazide,"Weld Lake","Cyanidenon 1470","C.I. Natural Yellow 2","5,7,3',4'-Tetrahydroxyflavone","5,7,3',4'Tetrahydroxyflavone",T1027,S2320,Prestw-870,Luteolin}

> <pdid>
PD010790

> <targets>
{Apoptosis,Autophagy,Endogenous Metabolite,Keap1-Nrf2}

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

> <pubchem_cids>
{5280445}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 36 40  0  0  0  0            999 V2000
    3.8964    0.7545    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -2.5112   -6.1125    0.0000 N   0  0
   -2.0454   -7.5384    0.0000 N   0  0
   -0.5454   -7.5360    0.0000 N   0  0
   -0.0841   -6.1087    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    9.0967   -3.7463    0.0000 O   0  0
    9.0946   -5.2471    0.0000 C   0  0
   10.3929   -6.0001    0.0000 C   0  0
   10.3908   -7.5010    0.0000 C   0  0
   11.6890   -8.2540    0.0000 C   0  0
   11.6869   -9.7548    0.0000 C   0  0
   12.9833  -10.5094    0.0000 C   0  0
   12.9782  -12.0094    0.0000 C   0  0
   11.6766  -12.7549    0.0000 C   0  0
   10.3801  -12.0005    0.0000 C   0  0
   10.3853  -10.5005    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  1  0
 14  4  1  0
 14  8  2  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 15  2  0
  2 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 29  1  0
 23 35  1  0
 35 36  2  0
 36 20  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25619

> <plate>
PLATE 001

> <well>
C2

> <supplier_cmpd_name>
Pranlukast

> <ctcr_id>
1033

> <supplier_cmpd_id>
.

> <smiles>
O=C(Nc1cccc2C(=O)C=C(Oc12)c3[nH]nnn3)c4ccc(OCCCCc5ccccc5)cc4

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Pranlukast,103177-37-3,103177373,"103177 37 3",Ono-1078,Ono1078,"Ono 1078","pranlukast hydrate","ONO 1078",N-(4-oxo-2-(2H-tetrazol-5-yl)chromen-8-yl)-4-(4-phenylbutoxy)benzamide,N(4oxo2(2Htetrazol5yl
)chromen8yl)4(4phenylbutoxy)benzamide,"N (4 o",Prestw-1317}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4887}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 19 22  0  0  0  0            999 V2000
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
    1.1978   -5.9469    0.0000 C   0  0
    1.2025   -7.4469    0.0000 N   0  0
   -0.2220   -7.9144    0.0000 C   0  0
   -0.8278   -9.2866    0.0000 C   0  0
   -2.3190   -9.4481    0.0000 C   0  0
   -3.2045   -8.2373    0.0000 C   0  0
   -2.5987   -6.8651    0.0000 C   0  0
   -1.1074   -6.7036    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  2  1  0
 10  5  1  0
  1 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 14  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25620

> <plate>
PLATE 001

> <well>
C3

> <supplier_cmpd_name>
3,3'-Diindolylmethane

> <ctcr_id>
683

> <supplier_cmpd_id>
.

> <smiles>
C(c1c[nH]c2ccccc12)c3c[nH]c4ccccc34

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{AR,HIF1A,IFNG,PI3}

> <broad_moa>
{"CHK inhibitor","cytochrome P450 activator","indoleamine 2","3-dioxygenase inhibitor"}

> <synonyms>
{3'DIINDOLYLMETHAN,AC-11611,AC11611,"3,3'-Diindolylmethane","3,3'Diindolylmethane",1968-05-4,1968054,diindolylmethane,di(1H-indol-3-yl)methane,di(1Hindol3yl)methane,"3,3'-Methylenebis-1H-indole","3,3'
Methylenebis1Hindole","3,3'-Methylenediindole","3,3'Methylenediindole",DIM,ARUNDINE,"1H-Indole, 3,3'-methylenebis-","1HIndole, 3,3'methylenebis",Di(3-indolyl)methane,Di(3indolyl)methane,"3,3'-Di-indol
ylmethane",3-(,3(,T2991,1505331,"3,3'-DIINDOLYLMETHANE"}

> <pdid>
PD000931

> <targets>
{Androgen Receptor,Autophagy}

> <classes>
{apoptosis inducer,Autophagy,Others}

> <pubchem_cids>
{3071}

$$$$
TargetMol_L9000_Apoptosis 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
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.1996    1.4928    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    2.6020   -5.9998    0.0000 C   0  0
    2.6023   -7.5007    0.0000 C   0  0
    3.9009   -8.2513    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -2.5981   -3.0050    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  5  9  1  0
  9 10  2  0
 10  2  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 13 17  2  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 20  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25621

> <plate>
PLATE 001

> <well>
C4

> <supplier_cmpd_name>
Magnolol

> <ctcr_id>
3772

> <supplier_cmpd_id>
.

> <smiles>
Oc1ccc(CC=C)cc1c2cc(CC=C)ccc2O

> <pd_targets>
{MAPT,FTL,KDM4E,TIM10,RORC,KMT2A,MEN1,GAA,ALDH1A1,TGR,HPGD,NPSR1,CNR2,CNR1,GABRA1,GABRB2}

> <pathway_gtopdb>
{"Other cytosolic protein","Unclassified protein","Epigenetic regulator","Transcription factor",Enzyme,"Membrane receptor","Ion channel",Eraser,"Nuclear receptor",Reader,Hydrolase,Oxidoreductase,"Fami
ly A G protein-coupled receptor","Ligand-gated ion channel","Lysine demethylase","Nuclear hormone receptor subfamily 1",Bromodomain,"Peptide receptor (family A GPCR)","Small molecule receptor (family 
A GPCR)","GABA-A receptor","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Lipid-like ligand receptor (family A GPCR)","Nuclear hor
mone receptor subfamily 1 group F member 3","Neuropeptide receptor","Cannabinoid receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Nuclear hormone receptors","3.2.1.- Glycosidases","Eicosanoid turnover","G protein-coupled receptors","1.14.11.- Histone demethylases","1F. Retinoic a
cid-related orphans","Prostaglandin synthases","Neuropeptide S receptor","Cannabinoid receptors"}

> <pathway_reactome>
{"Neuronal System","Vesicle-mediated transport","Gene expression (Transcription)",Disease,Metabolism,"Signal Transduction","Transmission across Chemical Synapses","Membrane Trafficking","RNA Polymeras
e II Transcription","Diseases of metabolism","Biological oxidations","Metabolism of lipids","Infectious disease","Signaling by GPCR","Neurotransmitter receptors and postsynaptic signal transmission","
trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","Diseases of carbohydrate metabolism","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediator
s (SPMs)","Leishmania infection","GPCR downstream signalling","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX3","Glycog
en storage diseases","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Leishmania parasite growth and survival","G alpha (i) signalling events","Post NMDA receptor activation events","RUNX3 Regu
lates Immune Response and Cell Migration","Glycogen storage disease type II (GAA)","Biosynthesis of D-series resolvins","Anti-inflammatory response favouring Leishmania parasite infection","Activation
 of AMPK downstream of NMDARs","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{GABRA1,PPARG}

> <broad_moa>
{"PPAR receptor agonist"}

> <synonyms>
{Magnolol,528-43-8,528438,"5,5'-Diallyl-(1,1'-biphenyl)-2,2'-diol","5,5'Diallyl(1,1'biphenyl)2,2'diol","5,5'-Diallyl-2,2'-biphenyldiol","5,5'Diallyl2,2'biphenyldiol","2,2'-Bichavicol","2,2'Bichavicol"
,"5,5'-Diallyl-2,2'-dihydroxybiphenyl","5,5'Diallyl2,2'dihydroxybiphenyl","NSC 293099",Dehydrodichavicol,UNII-001E35HGVF,UNII001E35HGVF,4-allyl-2-(5-allyl-2-hydroxy-phenyl)phenol,4allyl2(5allyl2hydrox
yphenyl)phenol,MFCD0001,T3000,S2321}

> <pdid>
PD010789

> <targets>
{Others,Autophagy,Bacterial,PPAR,RAR/RXR}

> <classes>
{Others,Anti-infection,Autophagy,Cell Cycle/DNA Damage,Metabolic Enzyme/Protease}

> <pubchem_cids>
{72300}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 18 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0
   -4.8896   -2.5354    0.0000 O   0  0
   -6.2433   -1.8893    0.0000 C   0  0
   -7.5616   -2.6011    0.0000 C   0  0
   -8.8392   -1.8152    0.0000 O   0  0
   -6.0471   -0.4022    0.0000 C   0  0
   -4.5721   -0.1292    0.0000 C   0  0
   -3.9177    1.2205    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  2  1  0
 10  6  2  0
  7 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  1  0
 17 11  1  0
 17 18  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25622

> <plate>
PLATE 001

> <well>
C5

> <supplier_cmpd_name>
Cordycepin

> <ctcr_id>
3951

> <supplier_cmpd_id>
.

> <smiles>
Nc1ncnc2n(cnc12)C3OC(CO)CC3O

> <pd_targets>
{RORC,ALOX15,TIM23,NS5B,ADORA1}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3",Enzyme,Oxidored
uctase,"Unclassified protein","Membrane receptor",Transferase,"Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Nucleotide-like receptor (family A GPCR)","Adenosine rece
ptor"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans",Enzymes,"Eicosanoid turnover",Lipoxygenases,"G protein-coupled receptors","Adenosine receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration",Metaboli
sm,"Metabolism of lipids","Biosynthesis of specialized proresolving mediators (SPMs)","Biosynthesis of DPA-derived SPMs","Biosynthesis of DPAn-3 SPMs","Biosynthesis of DPAn-3-derived protectins and re
solvins",Disease,"Signal Transduction","Infectious disease","Signaling by GPCR","SARS-CoV Infections","GPCR ligand binding","Potential therapeutics for SARS","Class A/1 (Rhodopsin-like receptors)","Nu
cleotide-like (purinergic) receptors","Adenosine P1 receptors"}

> <broad_targets>
{}

> <broad_moa>
{"DNA inhibitor"}

> <synonyms>
{3-Deoxyadenosine,3Deoxyadenosine,NSC63984,"ADENOSINE, 3'-DEOXY-","ADENOSINE, 3'DEOXY",CHEMBL42814,MLS003389401,NSC401022,2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol,2(6aminopurin9yl)5(hydroxym
ethyl)oxolan3ol,9-(.beta.-D-3'-Deoxyribofuranosyl)adenine,9(.beta.D3'Deoxyribofuranosyl)adenine,".beta.-D-erythro-Pentofuranoside, adenine-9 3-deoxy-",".beta.DerythroPentofuranoside, adenine9 3deoxy",
9H-Purine,9HPurine,6-,6,T2993,"NSC 63984",Cordycepin}

> <pdid>
PD006989

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

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

> <pubchem_cids>
{248010}

$$$$
TargetMol_L9000_Apoptosis 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 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
   -2.5981   -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  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11  5  1  0
 11 12  2  0
 12  2  1  0
  9 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
  8 21  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25623

> <plate>
PLATE 001

> <well>
C6

> <supplier_cmpd_name>
Fisetin

> <ctcr_id>
3121

> <supplier_cmpd_id>
.

> <smiles>
Oc1ccc2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O

> <pd_targets>
{HSD17B10,APEX1,CASP7,MAPT,MAPK1,CYP3A4,ARG1,PIM1,MAPK10,GLO1,ACHE,POL,CDK5,CDK5R1,CDK6,FABI,ALOX15,KMT2A,MEN1,HBB,CREBBP,CSNK2A1,CSNK2A2,CSNK2B,FABG,ALOX12,AMY1A,FFP,HPGD,CASP1,GSK3B,HSD17B3,DXR,LCK,
BCHE,GSK3A,IMPA1,CYP2C9,AURKB,DPP3,SYK,FABZ,LMNA,XDH,CCNB1,CCNB2,CCNB3,CDK1,CDK2,ALD,CSNK2A3,TOP2A,RECQL,KDM4E,ALDH1A1,MAPK14}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator","Secreted protein","Other nuclear protein",Oxidoreductase,Protease,Kinase,"Cytochrome P450",Hydrolase,Lyase,Reader,Writer,Transferase,Isomerase
,Eraser,"Cysteine protease","Protein Kinase","Cytochrome P450 family 3",Bromodomain,"Histone acetyltransferase","Cytochrome P450 family 2","Metallo protease","Lysine demethylase","Cysteine protease CD
 clan","CMGC protein kinase group","Cytochrome P450 family 3A","CAMK protein kinase group","p300/CBP family","Other protein kinase group","TK protein kinase group","Cysteine protease CA clan","Cytochr
ome P450 family 2C","Metallo protease MAE clan","Jumonji domain-containing","Cysteine protease C14 family","CMGC protein kinase MAPK family","Cytochrome P450 3A4","CAMK protein kinase PIM family","CMG
C protein kinase CDK family","Other protein kinase CK2 family","CMGC protein kinase GSK family","Tyrosine protein kinase Src family","Cysteine protease C1A family","Cytochrome P450 2C9","Other protein
 kinase AUR family","Metallo protease M49 family","Tyrosine protein kinase Syk family","CMGC protein kinase ERK1","CMGC protein kinase JNK subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein
 kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,"Other protein targets",Receptors,"Peptidases and proteinases","Kinases (EC 2.7.x.x)","Cytochrome P450","L-Arginine turnover","Acetylcholine turnover","Eicosanoid turnover","Bromodomain-conta
ining proteins","Catalytic receptors","Inositol phosphate turnover","1.-.-.- Oxidoreductases","DNA topoisomerases","Chromatin modifying enzymes","CD: Cysteine (C) Peptidases","CMGC: Containing CDK",MA
PK,GSK3,"CLK families","CYP3 family",Arginase,"CAMK: Calcium/calmodulin-dependent protein kinases",Lipoxygenases,"Non-enzymatic BRD containing proteins","Prostaglandin synthases","Receptor kinases","I
nositol monophosphatase","CYP2 family: drug metabolising subset","MA: Metallo (M) Peptidases","1.14.11.- Histone demethylases","C14: Caspase","Mitogen-activated protein kinases (MAP kinases)","PIM fam
ily","Cyclin-dependent kinase (CDK) family","Glycogen synthase kinase (GSK) family","TK: Tyrosine kinase","Other protein kinases","M49: Dipeptidyl-peptidase III","ERK subfamily","JNK subfamily","CDK4 
subfamily","GSK subfamily","Non-receptor tyrosine kinases (nRTKs)","Aurora kinase (Aur) family","CDK1 subfamily","Casein kinase 2 (CK2) family","p38 subfamily","Src family","Syk family"}

> <pathway_reactome>
{Metabolism,"DNA Repair","Programmed Cell Death","Neuronal System","Immune System",Disease,"Cell Cycle","Gene expression (Transcription)","Metabolism of amino acids and derivatives","Base Excision Rep
air",Apoptosis,"Transmission across Chemical Synapses","Innate Immune System","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second messengers","The citric acid
 (TCA) cycle and respiratory electron transport",Mitotic,"RNA Polymerase II Transcription","Infectious disease","Inositol phosphate metabolism","Biological oxidations","Metabolism of nucleotides","Bra
nched-chain amino acid catabolism","Resolution of Abasic Sites (AP sites)","Intrinsic Pathway for Apoptosis","Neurotransmitter receptors and postsynaptic signal transmission","Toll-like Receptor Casca
des","Biosynthesis of specialized proresolving mediators (SPMs)","Neutrophil degranulation","FLT3 signaling in disease","Pyruvate metabolism and Citric Acid (TCA) cycle","Phospholipid metabolism","Mit
otic G1 phase and G1/S transition","Generic Transcription Pathway","SARS-CoV Infections","Fatty acid metabolism","HIV Infection","Synthesis of IP2",IP,"and Ins in the cytosol","Phase I - Functionaliza
tion of compounds","M Phase","Leishmania infection","Nucleobase catabolism","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Apoptotic factor-mediated response","Activat
ion of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Signaling by FLT3 ITD and TKD mutants","Pyruvate metabolism","Glycerophospholip
id biosynthesis","G1 Phase","Biosynthesis of DPA-derived SPMs","Transcriptional Regulation by TP53","SARS-CoV-1 Infection","Fatty acyl-CoA biosynthesis","Host Interactions of HIV factors","Cytochrome 
P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Purine catabolism","G0 and Early G1","Ethanol oxidation","PCNA-Dependent Long Patch Base 
Excision Repair","Cytochrome c-mediated apoptotic response","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","STAT5 activation downstream 
of FLT3 ITD mutants","Synthesis of PC","Cyclin D associated events in G1","Biosynthesis of DPAn-3 SPMs","TP53 Regulates Transcription of Cell Death Genes","Biosynthesis of D-series resolvins","SARS-Co
V-1 Genome Replication and Transcription","Synthesis of very long-chain fatty acyl-CoAs","The role of Nef in HIV-1 replication and disease pathogenesis",Xenobiotics,"Mitotic Anaphase","Anti-inflammato
ry response favouring Leishmania parasite infection","Regulation of TP53 Activity","Transcription of E2F targets under negative control by DREAM complex","Activation of caspases through apoptosome-med
iated cleavage","Activation of AMPK downstream of NMDARs","MAP kinase activation","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","TP53 Regulates Transcri
ption of Genes Involved in Cytochrome C Release","Biosynthesis of DPAn-3-derived maresins","TP53 Regulates Transcription of Caspase Activators and Caspases","Replication of the SARS-CoV-1 genome","Nef
-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","CYP2E1 reactions","Separation of Sister Chromatids","FCGR3A-mediated IL10 synthesis","Nuclear Envelope (NE
) Reassembly","Regulation of TP53 Expression and Degradation","Regulation of TP53 Activity through Phosphorylation","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regula
tion","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","ERK/MAPK targets","Activation of the AP-1 family of transcription factors","ERKs are inactivated"}

> <broad_targets>
{CDK6,FASN}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{528-48-3,528483,5-Desoxyquercetin,5Desoxyquercetin,"2-(3,4-Dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one","2(3,4Dihydroxyphenyl)3,7dihydroxy4Hchromen4one","3,3',4',7-Tetrahydroxyflavone","3,3',4',7
Tetrahydroxyflavone",Cotinin,Fustel,Viset,Fisetholz,Superfustel,Fietin,Fustet,"Junger fustik","3,7,3',4'-Tetrahydroxyflavone","3,7,3',4'Tetrahydroxyflavone","Ventin sumach",T2879,NSC407010,"NSC 407010
",Fisetin}

> <pdid>
PD001338

> <targets>
{PPAR,Sirtuin,TNF Receptor}

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

> <pubchem_cids>
{5281614}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 20 22  0  0  1  0            999 V2000
    6.4995   -3.7442    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
    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  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  8  5  1  1
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 12  1  0
 19 20  1  0
 20  8  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25624

> <plate>
PLATE 001

> <well>
C7

> <supplier_cmpd_name>
Naringenin

> <ctcr_id>
1249

> <supplier_cmpd_id>
.

> <smiles>
Oc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2

> <pd_targets>
{CBR1,CYP19A1,CYP2C19,LEF,CA4,CA7,FTL,CALM1,SHBG,CYP3A4,CYP2C9,AKR1B1,POL,CA12,DPP4,GLO1,ESR1,CYP1A2,ABCB1A,ESR2,HSD17B2,HSD17B10,GSK3B,CYP1B1,CYP1A1,PSMB5,HSD17B1,ABCC1,AKR1C1,RORC,ALOX12,KMT2A,MEN1,
TRPM3,CACNA1C}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Secreted protein","Transcription factor",Transporter,"Epigenetic regulator","Ion channel",Oxidoreductase,"Cytochrome P450",Protease,Lyase,Hydrolase,"Nuclear receptor","
Primary active transporter",Kinase,Reader,"Voltage-gated ion channel","Cytochrome P450 family 19","Cytochrome P450 family 2","Metallo protease","Cytochrome P450 family 3","Serine protease","Nuclear ho
rmone receptor subfamily 3","Cytochrome P450 family 1","ATP-binding cassette","Protein Kinase","Threonine protease","Nuclear hormone receptor subfamily 1",Bromodomain,"Voltage-gated calcium channel","
Cytochrome P450 family 19A","Cytochrome P450 family 2C","Metallo protease MAE clan","Cytochrome P450 family 3A","Serine protease SC clan","Nuclear hormone receptor subfamily 3 group A","Cytochrome P45
0 family 1A","ABCB subfamily","CMGC protein kinase group","Cytochrome P450 family 1B","Threonine protease PBT clan","ABCC subfamily","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 19A
1","Cytochrome P450 2C19","Metallo protease M34 family","Cytochrome P450 3A4","Cytochrome P450 2C9","Serine protease S9B subfamily","Nuclear hormone receptor subfamily 3 group A member 1","Cytochrome 
P450 1A1","Nuclear hormone receptor subfamily 3 group A member 2","CMGC protein kinase GSK family","Cytochrome P450 1B1","Threonine protease T1A subfamily","Nuclear hormone receptor subfamily 1 group 
F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Eicosanoid turnover","Cytochrome P450","Carbonic anhydrases","1.-.-.- Oxidoreductases","Peptidases and proteinases","Nuclear hormone receptors","ATP-bin
ding cassette transporter family","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Prostaglandin synthases",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","CYP2 family: drug metabolising subset","CY
P3 family","SC: Serine (S) Peptidases","Steroid hormone receptors","CYP1 family","ABCB subfamily","CMGC: Containing CDK",MAPK,GSK3,"CLK families","PB: Threonine (T) Peptidases","ABCC subfamily","1F. R
etinoic acid-related orphans",Lipoxygenases,"Transient Receptor Potential channels","Voltage-gated calcium channels","S9: Prolyl oligopeptidase","3A. Estrogen receptors","Glycogen synthase kinase (GSK
) family","T1: Proteasome","GSK subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Transport of small molecules","Vesicle-mediated transport","Neuronal System","Metabolism of proteins","Gene expression (Transcription)","Signal Transduction","Cell Cycle","Develop
mental Biology","Metabolism of lipids","Biological oxidations","Infectious disease","O2/CO2 exchange in erythrocytes","Reversible hydration of carbon dioxide","Membrane Trafficking","Transmission acro
ss Chemical Synapses","Peptide hormone metabolism","The citric acid (TCA) cycle and respiratory electron transport","RNA Polymerase II Transcription","Intracellular signaling by second messengers","Me
tabolism of amino acids and derivatives",Mitotic,"Signaling by GPCR","Ion channel transport","Nervous system development","Fatty acid metabolism","Phase I - Functionalization of compounds","Uptake and
 actions of bacterial toxins","Erythrocytes take up carbon dioxide and release oxygen","trans-Golgi Network Vesicle Budding","Neurotransmitter receptors and postsynaptic signal transmission","Biosynth
esis of specialized proresolving mediators (SPMs)","Metabolism of steroids","Incretin synthesis",secretion,"and inactivation","Pyruvate metabolism and Citric Acid (TCA) cycle","Generic Transcription P
athway","PIP3 activates AKT signaling","Branched-chain amino acid catabolism","SARS-CoV Infections","Regulation of mitotic cell cycle","GPCR downstream signalling","Stimuli-sensing channels","Axon gui
dance","Arachidonic acid metabolism","Cytochrome P450 - arranged by substrate type","Uptake and function of anthrax toxins","Golgi Associated Vesicle Biogenesis","Activation of NMDA receptors and post
synaptic events","Biosynthesis of DHA-derived SPMs","Metabolism of steroid hormones",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","Pyruvate metabolism","Transcriptional regulation b
y RUNX1","Negative regulation of the PI3K/AKT network","SARS-CoV-1 Infection","APC/C-mediated degradation of cell cycle proteins","G alpha (i) signalling events","Bile acid and bile salt metabolism","
Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","TRP channels","NCAM signaling for neurite out-growth","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Endogenous ster
ols",Xenobiotics,"Post NMDA receptor activation events","Biosynthesis of maresins","Pregnenolone biosynthesis","RUNX1 regulates estrogen receptor mediated transcription",PI5P,"PP2A and IER3 Regulate P
I3K/AKT Signaling","Estrogen biosynthesis","SARS-CoV-1 Genome Replication and Transcription","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Visual phototransduction","
Synthesis of Leukotrienes (LT) and Eoxins (EX)","Synthesis of bile acids and bile salts","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","NCAM1 interactions","CYP2E1
 reactions","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","R
eplication of the SARS-CoV-1 genome","APC/C:Cdc20 mediated degradation of mitotic proteins","The canonical retinoid cycle in rods (twilight vision)","Synthesis of bile acids and bile salts via 24-hydr
oxycholesterol","Biosynthesis of DPAn-3-derived maresins","Ras activation upon Ca2+ influx through NMDA receptor","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cel
l cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{CYP19A1,CYP1B1,ESR2,GLO1,HSD17B1}

> <broad_moa>
{"aromatase inhibitor","TRPV antagonist"}

> <synonyms>
{naringenin,480-41-1,480411,"(S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)chroman-4-one","(S)5,7Dihydroxy2(4hydroxyphenyl)chroman4one",(S)-Naringenin,(S)Naringenin,pelargidanon,Salipurol,naringetol,(2S)-Narin
genin,(2S)Naringenin,salipurpol,Asahina,Naringenine,UNII-HN5425SBF2,UNIIHN5425SBF2,"CCRIS 5839",YSO1,(-)-(2S)-Naringenin,()(2S)Naringenin,CHEMBL9352,(S)-2,(S)2,3-D,3D,T2838,1500746,Naringenin,NARINGEN
IN}

> <pdid>
PD001602

> <targets>
{Endogenous Metabolite,Influenza Virus,PPAR,Reactive Oxygen Species}

> <classes>
{gibberellin antagonist,antiulcer,Anti-infection,Cell Cycle/DNA Damage,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{439246}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 33 37  0  0  1  0            999 V2000
   -0.1756   -5.5034    0.0000 C   0  0
   -0.6566   -4.0826    0.0000 C   0  0
   -2.1277   -3.7893    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0  2  0  0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990    1.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0  1  0  0  0
   -5.1962    0.0000    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -7.7942    1.5000    0.0000 C   0  0
   -7.7942    3.0000    0.0000 C   0  0  2  0  0  0
   -9.0933    3.7500    0.0000 O   0  0
   -6.4952    3.7500    0.0000 C   0  0
   -5.1788    4.4691    0.0000 C   0  0
   -7.8115    4.4693    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  1  0  0  0
   -1.7321    2.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0479    0.0793    0.0000 C   0  0
   -0.8484   -0.3641    0.0000 O   0  0
    0.1118    1.0772    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  4  2  1  1
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  1
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  6
 20 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 16  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 10  1  0
 28 15  1  0
 28 29  1  6
 12 30  1  0
 30  4  1  0
 30  7  1  0
  7 31  1  6
 31 32  2  0
 31 33  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25625

> <plate>
PLATE 001

> <well>
C8

> <supplier_cmpd_name>
Betulinic acid

> <ctcr_id>
8358

> <supplier_cmpd_id>
.

> <smiles>
CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)C(CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)C12)C(=O)O

> <pd_targets>
{RORC,SAE1,UBA2,POLB,PYGM,ALB,AKR1B1,BOTA,GLI1,DPP4,GPBAR1,AKR1B10}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Secreted protein","Unclassified protein","Membrane receptor","Nuclear receptor",Aminoacyltransferase,Transferase,Oxidoreductase,Protease,"Family A G protein-coupled rec
eptor","Nuclear hormone receptor subfamily 1","Metallo protease","Serine protease","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Metallo protease MAE clan",
"Serine protease SC clan","Lipid-like ligand receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F member 3","Metallo protease M27 family","Serine protease S9B subfamily","Steroid-li
ke ligand receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","1.-.-.- Oxidoreductases","Peptidases and proteinases","G protein-coupled receptors","1F. Retinoic acid-related orphans","SC: Serine (S) Peptidases","Bil
e acid receptor","S9: Prolyl oligopeptidase"}

> <pathway_reactome>
{"Gene expression (Transcription)","DNA Repair",Metabolism,Disease,"Signal Transduction","Metabolism of proteins","RNA Polymerase II Transcription","Base Excision Repair","Metabolism of carbohydrates"
,"Metabolism of lipids","Infectious disease","Signaling by Hedgehog","Post-translational protein modification","Peptide hormone metabolism","Metabolism of vitamins and cofactors","Generic Transcriptio
n Pathway","Resolution of Abasic Sites (AP sites)","Glycogen metabolism","Metabolism of steroids","Uptake and actions of bacterial toxins","Hedgehog 'off' state",SUMOylation,"Incretin synthesis",secre
tion,"and inactivation","Leishmania infection","Metabolism of fat-soluble vitamins","Transcriptional regulation by RUNX3","Resolution of AP sites via the multiple-nucleotide patch replacement pathway"
,"Glycogen breakdown (glycogenolysis)","Bile acid and bile salt metabolism","Metabolism of steroid hormones","Neurotoxicity of clostridium toxins","Degradation of GLI1 by the proteasome","Processing a
nd activation of SUMO",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","Leishmania parasite growth and survival","Retinoid metabolism and transport","RUNX3 Regulates Immune Response an
d Cell Migration","PCNA-Dependent Long Patch Base Excision Repair","Recycling of bile acids and salts","Pregnenolone biosynthesis","Toxicity of botulinum toxin type A (botA)","SUMO is conjugated to E1
 (UBA2:SAE1)","Anti-inflammatory response favouring Leishmania parasite infection","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{GPBAR1}

> <broad_moa>
{"apoptosis stimulant","NFkB pathway inhibitor"}

> <synonyms>
{MLS001097660,SCHEMBL4441993,"med.21724, Compound 143",BDBM429471,HMS2269L11,SMR000578092,B2836,"Lup-20(29)-en-28-oic acid, 3-hydroxy-, (3b,5x,9x,13x,18x)-","Lup20(29)en28oic acid, 3hydroxy, (3b,5x,9x
,13x,18x)",3906,"Betulinic acid"}

> <pdid>
PD000747

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3010927}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 48 56  0  0  0  0            999 V2000
   -0.4397   -4.7263    0.0000 C   0  0
   -1.7072   -3.9241    0.0000 C   0  0
   -3.1045   -4.4697    0.0000 C   0  0
   -4.0551   -3.3095    0.0000 C   0  0
   -3.2454   -2.0468    0.0000 N   0  0
   -1.8112   -2.4405    0.0000 N   0  0
   -0.6522   -1.4871    0.0000 C   0  0
   -0.8987    0.0000    0.0000 C   0  0
   -2.0541   -1.3755    0.0000 C   0  0
   -0.6052   -0.9721    0.0000 C   0  0
    0.7703   -1.5223    0.0000 C   0  0
    1.7607   -0.2751    0.0000 C   0  0
    0.3852   -0.6052    0.0000 C   0  0
    1.7790    1.2105    0.0000 C   0  0
    0.4035    1.7790    0.0000 C   0  0
   -0.6052    0.5686    0.0000 C   0  0
   -0.8987    1.3205    0.0000 C   0  0
   -3.4845   -5.9216    0.0000 C   0  0
   -2.5028   -7.0490    0.0000 C   0  0
   -2.9908   -8.4674    0.0000 N   0  0
   -4.4631   -8.7540    0.0000 C   0  0
   -5.4475   -7.6222    0.0000 C   0  0
   -4.9595   -6.2038    0.0000 C   0  0
   -4.9514  -10.1731    0.0000 N   0  0
   -3.9688  -11.3066    0.0000 C   0  0
   -4.4591  -12.7242    0.0000 C   0  0
   -5.9319  -13.0085    0.0000 C   0  0
   -6.4222  -14.4261    0.0000 C   0  0
   -7.8950  -14.7103    0.0000 C   0  0
   -8.8776  -13.5770    0.0000 C   0  0
   -8.3873  -12.1593    0.0000 C   0  0
   -6.9145  -11.8751    0.0000 C   0  0
   -6.4242  -10.4575    0.0000 C   0  0
   -9.3728  -11.0273    0.0000 C   0  0
   -8.8850   -9.6089    0.0000 O   0  0
  -10.8460  -11.3138    0.0000 N   0  0
  -11.8314  -10.1819    0.0000 C   0  0
  -13.3116  -10.3271    0.0000 N   0  0
  -13.8953   -8.9462    0.0000 C   0  0
  -15.3129   -8.4559    0.0000 C   0  0
  -15.5971   -6.9831    0.0000 C   0  0
  -14.4638   -6.0005    0.0000 C   0  0
  -13.0461   -6.4908    0.0000 C   0  0
  -12.7619   -7.9636    0.0000 C   0  0
  -11.4777   -8.7372    0.0000 S   0  0
   -1.0293   -6.7636    0.0000 C   0  0
   -0.0452   -7.8956    0.0000 O   0  0
   -0.5405   -5.3454    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  2  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
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 10  1  0
 15 17  1  0
 17  8  1  0
  3 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
 21 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 32 33  1  0
 33 24  1  0
 31 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 44 39  1  0
 44 45  1  0
 45 37  1  0
 19 46  1  0
 46 47  2  0
 46 48  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25626

> <plate>
PLATE 001

> <well>
C9

> <supplier_cmpd_name>
A-1331852

> <ctcr_id>
11943

> <supplier_cmpd_id>
.

> <smiles>
Cc1c(cnn1CC12CC3CC(C1)CC(C3)C2)c1c(nc(cc1)N1CCc2cccc(c2C1)C(=O)Nc1nc2ccccc2s1)C(=O)O

> <pd_targets>
{BCL2,BCL2L1}

> <pathway_gtopdb>
{"Ion channel","Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{"Other protein targets","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{"Immune System",Disease,"Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Nucleotide-binding domain","leucine rich repeat containing receptor 
(NLR) signaling pathways","FLT3 signaling in disease",Inflammasomes,"Signaling by FLT3 ITD and TKD mutants","The NLRP1 inflammasome","STAT5 activation downstream of FLT3 ITD mutants"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{133185,A-1331852,A1331852,1430844-80-6,1430844806,CHEMBL3793424,"A 1331852",SCHEMBL14859048,GTPL11102,BCP18310,EX-A1061,EXA1061,BDBM50162797,NSC797172,s7801,ZINC205644260,CS-5565,CS5565,NSC-797172,HY
-19741,HY19741,T6749}

> <pdid>
PD061196

> <targets>
{BCL-XL,Bcl-W,Bcl-2,Mcl-1}

> <classes>
{Apoptosis}

> <pubchem_cids>
{71565985}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 20 21  0  0  1  0            999 V2000
    7.0533   -0.4702    0.0000 O   0  0
    6.4430   -1.8405    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0  1  0  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  2  0  0  0
    4.8089   -4.6669    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 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2985    3.7517    0.0000 F   0  0
   -1.2993    3.7504    0.0000 F   0  0
   -0.0007    4.5008    0.0000 F   0  0
  1  2  1  0
  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  1
  5  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15  9  1  0
 15 16  2  0
 11 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25627

> <plate>
PLATE 001

> <well>
C10

> <supplier_cmpd_name>
Trifluridine

> <ctcr_id>
1008

> <supplier_cmpd_id>
.

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

> <pd_targets>
{ALOX12,TMK,LMNA,UL23,AMPC,LMP1,TYMS}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Unclassified protein",Transferase,Hydrolase}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","2.1.1.- Methyltransferases",Lipoxygenases}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Metabolism of lipids",Mitotic,"Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Mitotic G1 phase and G1/S transition","Biosynthesis of DPA-derived SPMs",
"Mitotic Metaphase and Anaphase","G1/S Transition","Biosynthesis of DPAn-3 SPMs","Mitotic Anaphase","G1/S-Specific Transcription","Biosynthesis of DPAn-3-derived maresins","Nuclear Envelope (NE) Reass
embly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{TYMS}

> <broad_moa>
{"DNA directed DNA polymerase inhibitor","thymidylate synthase inhibitor"}

> <synonyms>
{NCGC00166323-01,NCGC0016632301,Spectrum_001560,Spectrum001560,Spectrum-001560,"Spectrum 001560",SpecPlus_000960,SpecPlus000960,SpecPlus-000960,"SpecPlus 000960",Prestwick3_001056,Prestwick3001056,Pre
stwick3-001056,"Prestwick3 001056",Spectrum3_001653,Spectrum3001653,Spectrum3-001653,"Spectrum3 001653",Spectrum4_000617,Spectrum4000617,Spectrum4-000617,"Spectrum4 000617",Spectrum5_001542,Spectrum50
01542,Spectrum5-001542,"Spectrum5 001542",BSPBio_001012,BSPBio001012,BSPBio-001012,"BSPBio 001012",BSPBio_003405,BSPBio003405,BSPBio-003405,"BSPBio 003405",KBioGR_001174,KBioGR001174,KBioGR-001174,"KB
ioGR 001174",KBioSS_002040,KBioSS002040,KBioSS-002040,"KBioSS 002040",MLS002154131,DivK1c_007056,DivK1c007056,DivK1c-007056,"DivK1c 007056",SPECTRUM1504183,BPBio1_001114,BPBio1001114,BPBio1-001114,"BP
Bio1 001114",CHEBI:95193,T1428,1504183,Trifluridine,TRIFLURIDINE}

> <pdid>
PD001241

> <targets>
{}

> <classes>
{"antiviral (opthalmic)"}

> <pubchem_cids>
{6708818}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 11 12  0  0  0  0            999 V2000
   -0.2237   -5.5078    0.0000 O   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  3  1  0
 11  6  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25628

> <plate>
PLATE 001

> <well>
C11

> <supplier_cmpd_name>
Indole-3-carbinol

> <ctcr_id>
3059

> <supplier_cmpd_id>
.

> <smiles>
OCc1c[nH]c2ccccc12

> <pd_targets>
{AHR,TGR,LEF,AMPC}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,Protease,Hydrolase,"Metallo protease","Metallo protease MAE clan","Metallo protease M34 family"}

> <pathway_chembl>
{"Other protein targets","Aryl hydrocarbon receptor"}

> <pathway_reactome>
{Metabolism,Disease,"Biological oxidations","Infectious disease","Phase I - Functionalization of compounds","Uptake and actions of bacterial toxins","Cytochrome P450 - arranged by substrate type","Upt
ake and function of anthrax toxins","Endogenous sterols"}

> <broad_targets>
{AHR}

> <broad_moa>
{"aryl hydrocarbon receptor agonist","indoleamine 2","3-dioxygenase inhibitor"}

> <synonyms>
{NDOLE3CARBINO,Indole-3-carbinol,Indole3carbinol,700-06-1,700061,3-Indolemethanol,3Indolemethanol,INDOLE-3-METHANOL,INDOLE3METHANOL,(1H-Indol-3-yl)methanol,(1HIndol3yl)methanol,1H-indol-3-ylmethanol,1
Hindol3ylmethanol,3-Hydroxymethylindole,3Hydroxymethylindole,1H-Indole-3-methanol,1HIndole3methanol,3-Indolylcarbinol,3Indolylcarbinol,Indinol,3-(Hydroxymethyl)indole,3(Hydroxymethyl)indole,"3-Indole 
methanol","3Indole methanol","Indole 3 carbin",T2947,1505320,INDOLE-3-CARBINOL}

> <pdid>
PD000942

> <targets>
{Aryl Hydrocarbon Receptor,E1/E2/E3 Enzyme,Endogenous Metabolite,NF-ºB}

> <classes>
{antineoplastic,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{3712}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 26 28  0  0  0  0            999 V2000
    8.9930   -0.1413    0.0000 Cl  0  0
    6.4924   -3.7566    0.0000 F   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 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 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 N   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
    3.8963    3.7531    0.0000 O   0  0
    3.8941    5.2531    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18  9  2  3
 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 20  1  0
 12 25  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25629

> <plate>
PLATE 001

> <well>
D2

> <supplier_cmpd_name>
AX-024 HCl

> <ctcr_id>
11944

> <supplier_cmpd_id>
.

> <smiles>
Cl.Fc1ccc(cc1)C=3c4cc(ccc4OCC=3CN2CCCC2)OC

> <pd_targets>
{CD3E}

> <pathway_gtopdb>
{"Membrane receptor"}

> <pathway_chembl>
{"Other protein targets","CD molecules"}

> <pathway_reactome>
{"Immune System","Adaptive Immune System","Costimulation by the CD28 family","PD-1 signaling"}

> <broad_targets>
{}

> <broad_moa>
{"cytokine production inhibitor"}

> <synonyms>
{"X024 HC","AX-024 hydrochloride","AX024 hydrochloride","AX-024 HCl","AX024 HCl",1704801-24-0,1704801240,"1704801-24-0 (HCl)","1704801240 (HCl)",SCHEMBL21294284,BCP30050,s6727,CS-8002,CS8002,HY-107390
A,HY107390A,BS-16035,BS16035,AK00792995,"AX-024 HCl;AX 024 HCl;AX024 HCl;AX024 hydrochloride ;AX 024 hydrochloride","AX024 HCl;AX 024 HCl;AX024 HCl;AX024 hydrochloride ;AX 024 hydrochloride",T4403}

> <pdid>
PD102587

> <targets>
{IL-6,TNF¦Á,IFN-¦Ã,IL-10,IL-17A,IFNAR,Interleukin Related,TNF Receptor}

> <classes>
{Immunology/Inflammation,Apoptosis}

> <pubchem_cids>
{129909862}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 19 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -3.8805   -1.4410    0.0000 O   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5536   -4.4230    0.0000 C   0  0
   -1.7031   -5.6606    0.0000 C   0  0
   -2.3532   -7.0124    0.0000 C   0  0
   -3.8489   -7.1253    0.0000 C   0  0
   -4.4991   -8.4771    0.0000 O   0  0
   -4.6946   -5.8864    0.0000 N   0  0
   -4.0444   -4.5346    0.0000 C   0  0
   -4.8897   -3.2954    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11  2  1  0
 11  6  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 12  1  0
 18 19  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25630

> <plate>
PLATE 001

> <well>
D3

> <supplier_cmpd_name>
Lenalidomide

> <ctcr_id>
572

> <supplier_cmpd_id>
.

> <smiles>
Nc1cccc2C(=O)N(Cc12)C3CCC(=O)NC3=O

> <pd_targets>
{IL6,TNF,CRBN,MDC1,IL1B,IKZF3,IKZF1,CUL4A,DDB1,RBX1,TNFSF11,CDH5,PTGS2}

> <pathway_gtopdb>
{"Secreted protein","Unclassified protein",Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"E3 ubiquitin ligase components","Eicosanoid turnover",Cyclooxygenase}

> <pathway_reactome>
{Disease,"Immune System","DNA Repair","Signal Transduction",Metabolism,"Infectious disease","Cytokine Signaling in Immune system","DNA Double-Strand Break Repair","Signaling by Receptor Tyrosine Kinas
es","Metabolism of lipids","Leishmania infection","Signaling by Interleukins","SARS-CoV Infections","Homology Directed Repair","TNFR2 non-canonical NF-kB pathway","Signaling by VEGF","Biosynthesis of 
specialized proresolving mediators (SPMs)","Leishmania parasite growth and survival","Interleukin-10 signaling","Potential therapeutics for SARS","HDR through Homologous Recombination (HRR) or Single 
Strand Annealing (SSA)","Cell recruitment (pro-inflammatory response)","TNF receptor superfamily (TNFSF) members mediating non-canonical NF-kB pathway","VEGFA-VEGFR2 Pathway","Biosynthesis of DPA-deri
ved SPMs","Anti-inflammatory response favouring Leishmania parasite infection","Processing of DNA double-strand break ends","Purinergic signaling in leishmaniasis infection","VEGFR2 mediated vascular 
permeability","Biosynthesis of DPAn-3 SPMs","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
{TNF}

> <broad_moa>
{"anticancer agent"}

> <synonyms>
{Lenalidomide,191732-72-6,191732726,Revlimid,Revimid,"3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione","3(4Amino1oxoisoindolin2yl)piperidine2,6dione",CC-5013,CC5013,"Lenalidomide (CC-5013)","Lena
lidomide (CC5013)","CDC 501",IMiD3,"CC 5013",CDC-501,CDC501,"3-(4-Amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione","3(4Amino1oxo1,3dihydro2Hisoindol2yl)piperidine2,6dione",2,6-Pipe,6Pipe
,T1642,747972,"NSC 747972",LENALIDOMIDE}

> <pdid>
PD004118

> <targets>
{"TNF-alpha Inhibitors"}

> <classes>
{"immunomodulatory agent"}

> <pubchem_cids>
{216326}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 32 36  0  0  0  0            999 V2000
    2.7740    3.3412    0.0000 C   0  0
    2.6395    1.8472    0.0000 C   0  0
    3.7691    0.8603    0.0000 N   0  0
    3.1796   -0.5190    0.0000 O   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
   -2.5914    1.9238    0.0000 C   0  0
   -2.4793    3.4197    0.0000 C   0  0
   -1.1278    4.0705    0.0000 C   0  0
    0.1115    3.2255    0.0000 C   0  0
   -3.7193    4.2650    0.0000 C   0  0
   -5.1141    3.7490    0.0000 C   0  0
   -6.0298    4.9370    0.0000 N   0  0
   -5.1829    6.1750    0.0000 N   0  0
   -3.7437    5.7521    0.0000 C   0  0
   -7.5292    4.8945    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.3993   -2.9127    0.0000 C   0  0
    0.5521   -4.1515    0.0000 C   0  0
    1.2002   -5.5043    0.0000 O   0  0
   -0.9435   -4.0368    0.0000 N   0  0
   -3.1484   -0.7186    0.0000 C   0  0
   -4.1145    0.4339    0.0000 C   0  0
   -5.5920    0.1754    0.0000 C   0  0
   -6.1069   -1.2335    0.0000 C   0  0
   -5.1442   -2.3838    0.0000 C   0  0
   -3.6667   -2.1253    0.0000 C   0  0
   -7.5844   -1.4921    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  2  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12  7  1  0
 10 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 13  1  0
 15 18  1  0
  8 19  1  0
 19 20  2  3
 20 21  1  0
 21  5  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 19 26  1  0
 26 27  2  3
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  2  3
 31 26  1  0
 29 32  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25631

> <plate>
PLATE 001

> <well>
D4

> <supplier_cmpd_name>
BET bromodomain inhibitor

> <ctcr_id>
11945

> <supplier_cmpd_id>
.

> <smiles>
CC1=NOC2=C1C3=C(C=C(C=C3)C4=CN(N=C4)C)C(=NC2CC(=O)N)C5=CC=C(C=C5)Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SCHEMBL16749350,BCP30005,"MDK 3597;MDK-3597;BET bromodomain inhibitor","MDK 3597;MDK3597;BET bromodomain inhibitor",T2072,"BET bromodomain inhibitor"}

> <pdid>
PD063667

> <targets>
{BET bromodomain,Epigenetic Reader Domain}

> <classes>
{Chromatin/Epigenetic,Epigenetics}

> <pubchem_cids>
{118102748}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 35 39  0  0  0  0            999 V2000
   -1.3553   -2.5513    0.0000 C   0  0
   -0.4775   -3.7676    0.0000 O   0  0
    1.0157   -3.6164    0.0000 C   0  0
    1.6281   -2.2462    0.0000 C   0  0
    3.1202   -2.0921    0.0000 O   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -0.4623    2.7009    0.0000 N   0  0
   -1.9623    2.7008    0.0000 N   0  0
   -2.4258    1.2743    0.0000 C   0  0
   -3.8515    0.8135    0.0000 N   0  0
   -4.9659    1.8188    0.0000 C   0  0
   -4.6522    3.2856    0.0000 O   0  0
   -6.3940    1.3573    0.0000 C   0  0
   -7.5092    2.3604    0.0000 C   0  0
   -8.9356    1.8962    0.0000 C   0  0
   -9.2468    0.4288    0.0000 C   0  0
   -8.1316   -0.5743    0.0000 C   0  0
   -6.7052   -0.1101    0.0000 C   0  0
  -10.6739   -0.0356    0.0000 N   0  0
  -11.7908    0.9658    0.0000 C   0  0
  -13.2164    0.4993    0.0000 C   0  0
  -13.5252   -0.9685    0.0000 N   0  0
  -14.9509   -1.4350    0.0000 C   0  0
  -12.4085   -1.9699    0.0000 C   0  0
  -10.9828   -1.5035    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
    1.8954   -4.8324    0.0000 C   0  0
    1.2853   -6.2028    0.0000 C   0  0
    2.1669   -7.4164    0.0000 C   0  0
    3.6587   -7.2596    0.0000 C   0  0
    4.2689   -5.8893    0.0000 C   0  0
    3.3872   -4.6758    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 21  1  0
 11 28  1  0
 28  8  2  0
 28 29  1  0
 29  6  1  0
  3 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25632

> <plate>
PLATE 001

> <well>
D5

> <supplier_cmpd_name>
Danusertib

> <ctcr_id>
1335

> <supplier_cmpd_id>
.

> <smiles>
COC(C(=O)N1Cc2[nH]nc(NC(=O)c3ccc(cc3)N4CCN(C)CC4)c2C1)c5ccccc5

> <pd_targets>
{AURKC,AURKA,AURKB,LCK,SLK,ABL1,FGFR1,FLT4,KDR,CDK2,FLT3,PLK1,NTRK1,RET,KIT,CAMK2G,MARK3,CAMK2B,MARK2,FLT1,EPHA2,NTRK2,SYK,FES,MAP4K2,ALK,PLK4,NTRK3,PRKAA1,PRKCD,LRRK2,EGFR,PTK6,ITK,PRKD3,FGFR3,CAMK2D
,CLK4,CLK2,CSF1R,BRSK1,PRKD2,FRK,MAP4K4,PHKG2,LIMK1,JAK2,DAPK3,PAK4,JAK3,TSSK1B,BTK,FYN,MAP4K5,DCLK1,STK3,SRC,ACVR1,CDK7,FER,LTK,TNK2,TAOK1,CDK5,ROS1,PTK2,MST1R,SRMS,LYN,BLK,MELK,PKN2,CDK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","TK protein kinase group","STE protein kinase group","CMGC protein kinase group","Other protein kinase AUR family","Tyrosine protein kinase
 Src family","STE protein kinase STE20 family","Tyrosine protein kinase Abl family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase VEGFR family","CMGC protein kinase CDK family","Tyros
ine protein kinase PDGFR family","Other protein kinase PLK family","Tyrosine protein kinase Trk family","Tyrosine protein kinase Ret family","STE protein kinase SLK subfamily","CMGC protein kinase CDC
2 subfamily","CAMK protein kinase group","TKL protein kinase group","AGC protein kinase group","CAMK protein kinase CAMK2 family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Eph family
","Tyrosine protein kinase Syk family","Tyrosine protein kinase Fer family","TKL protein kinase STKR family","AGC protein kinase PKC family","TKL protein kinase LRRK family","Tyrosine protein kinase E
GFR family","Tyrosine protein kinase Tec family","CAMK protein kinase PKD family","CMGC protein kinase CLK family","CAMK protein kinase PHk family","TKL protein kinase LISK family","Tyrosine protein k
inase JakA family","CAMK protein kinase DAPK family","CAMK protein kinase TSSK family","CAMK protein kinase DCAMK1 family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Ack family","Ty
rosine protein kinase Sev family","Tyrosine protein kinase Fak family","Tyrosine protein kinase Met family","AGC protein kinase PKN family","CAMK protein kinase MARK subfamily","STE protein kinase KHS
 subfamily","TKL protein kinase STKR Type 1 subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase PKC delta subfamily","CAMK protein kinase BRSK subfamily","STE protein kinase MSN subfam
ily","TKL protein kinase LIMK subfamily","STE protein kinase PAKB subfamily","Tyrosine protein kinase SrcA","STE protein kinase MST subfamily","TKL protein kinase STKR1","CMGC protein kinase CDK7 subf
amily","STE protein kinase TAO subfamily","CMGC protein kinase CDK5 subfamily","Tyrosine protein kinase Srm","CAMK protein kinase MELK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",
"Other protein kinases","TK: Tyrosine kinase","STE20 family","Cyclin-dependent kinase (CDK) family","Aurora kinase (Aur) family","Non-receptor tyrosine kinases (nRTKs)","SLK subfamily","Receptor tyros
ine kinases (RTKs)","CDK1 subfamily","Polo-like kinase (PLK) family","Src family","Abl family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial g
rowth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type XIV RTKs: RET","CAMK: Calcium/calmodulin-dependent protein
 kinases","AGC: Containing PKA",PKG,"PKC families","CAMK2 family","CAMK-like (CAMKL) family","Protein kinase C (PKC) family","TKL: Tyrosine kinase-like","Protein kinase D (PKD) family","CLK family","P
hosphorylase kinase (PHK) family","Death-associated kinase (DAPK) family","Testis specific kinase (TSSK) family","DCAMKL family","Protein kinase N (PKN) family","MARK subfamily","KHS subfamily","AMPK 
subfamily","Delta subfamily","Leucine-rich repeat kinase (LRRK) family","BRSK subfamily","MSN subfamily","LIM domain kinase (LISK) family","PAKB subfamily","MST subfamily","Receptor serine/threonine k
inase (RSTK) family","CDK7 subfamily","TAO subfamily","CDK5 subfamily","MELK subfamily","Type XIII RTKs: Ephrin receptor family","Syk family","Fer family","Type XIX RTKs: Leukocyte tyrosine kinase (LT
K) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Tec family","LIMK subfamily","Janus kinase (JakA) family","Type I receptor serine/threonine kinases","Ack family","Ty
pe XVII RTKs: ROS receptors","Fak family","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle",Disease,"Signal Transduction","Developmental Biology","RNA Polymerase II Transcription",Mitotic,"Infectious disease","Diseases of signal transduction by
 growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Nervous system development","Generic Transcription Pathway","M Phase","HIV Infection","Leishmania infection","
Signaling by FGFR in disease","Signaling by VEGF","Signaling by Insulin receptor","Mitotic G2-G2/M phases","Signaling by NTRKs","Axon guidance","Signaling by KIT in disease","Transcriptional Regulatio
n by TP53","Mitotic Metaphase and Anaphase","Host Interactions of HIV factors","Parasite infection","Signaling by FGFR1 in disease","VEGF ligand-receptor interactions","VEGFA-VEGFR2 Pathway","Insulin 
receptor signalling cascade","G2/M Transition","Signaling by NTRK1 (TRKA)","RET signaling","Drug resistance of KIT mutants","Regulation of TP53 Activity","Mitotic Anaphase","The role of Nef in HIV-1 r
eplication and disease pathogenesis","Leishmania phagocytosis","FGFR1 mutant receptor activation","VEGF binds to VEGFR leading to receptor dimerization","VEGFR2 mediated cell proliferation","IRS-media
ted signalling","Centrosome maturation","Signalling to ERKs","Dasatinib-resistant KIT mutants","Regulation of TP53 Activity through Phosphorylation","Separation of Sister Chromatids","Nef-mediates dow
n modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated phagocytosis","Signaling by activated point mutants of FGFR1","Regulation of TP53 Expression and Degrad
ation","PI3K Cascade","Loss of proteins required for interphase microtubule organization from the centrosome","Prolonged ERK activation events","Nef Mediated CD4 Down-regulation","Regulation of TP53 D
egradation","Loss of Nlp from mitotic centrosomes","ARMS-mediated activation","Neuronal System","Immune System",Metabolism,"Cellular responses to external stimuli","Programmed Cell Death","Transmissio
n across Chemical Synapses","Intracellular signaling by second messengers","Signaling by Non-Receptor Tyrosine Kinases","Signaling by GPCR","Adaptive Immune System","Metabolism of lipids","Cellular re
sponses to stress","Metabolism of carbohydrates",Apoptosis,"Cytokine Signaling in Immune system","Signaling by Hippo","Signaling by Rho GTPases","Neurotransmitter receptors and postsynaptic signal tra
nsmission","Oncogenic MAPK signaling","DAG and IP3 signaling","Signaling by PTK6","GPCR downstream signalling","Mitotic G1 phase and G1/S transition","TCR signaling","Sphingolipid metabolism","PIP3 ac
tivates AKT signaling","Cellular Senescence","Glycogen metabolism","Caspase activation via extrinsic apoptotic signalling pathway","Signaling by Interleukins","Signaling by SCF-KIT","Signaling by MST1
","RHO GTPase Effectors","Regulation of mitotic cell cycle","Activation of NMDA receptors and postsynaptic events","Signaling by RAS mutants","EPH-Ephrin signaling","Leishmania parasite growth and sur
vival","Semaphorin interactions","Signaling by NTRK3 (TRKC)","CaM pathway","PTK6 promotes HIF1A stabilization","G alpha (q) signalling events","G1 Phase","Generation of second messenger molecules","Sp
hingolipid de novo biosynthesis","Signaling by FGFR3 in disease","Transcriptional Regulation by VENTX","PTEN Regulation","Oxidative Stress Induced Senescence","Glycogen breakdown (glycogenolysis)","Ca
spase activation via Dependence Receptors in the absence of ligand","Signaling by ROBO receptors","Interleukin-2 family signaling","HIV Life Cycle","PTK6 Down-Regulation","Transcriptional regulation b
y RUNX1","RHO GTPases activate PKNs","APC/C-mediated degradation of cell cycle proteins","Post NMDA receptor activation events","Signaling downstream of RAS mutants","EPHA-mediated growth cone collaps
e","Activation of TRKA receptors","Anti-inflammatory response favouring Leishmania parasite infection","CRMPs in Sema3A signaling","Activated NTRK3 signals through PI3K","Calmodulin induced events","G
astrin-CREB signalling pathway via PKC and MAPK","Cyclin D associated events in G1","Signaling by FGFR3 point mutants in cancer","Regulation of PTEN stability and activity","Sema4D in semaphorin signa
ling","Activation of RAC1","Interleukin-15 signaling","Late Phase of HIV Life Cycle","RUNX1 regulates transcription of genes involved in BCR signaling","Activation of APC/C and APC/C:Cdc20 mediated de
gradation of mitotic proteins","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","NGF-independant TRKA activation","FCGR3A-mediated IL10 synthesis","EGFR Transactivati
on by Gastrin","FGFR3 mutant receptor activation","Sema4D induced cell migration and growth-cone collapse","Nef and signal transduction","Signalling to RAS","Transcription of the HIV genome","APC/C:Cd
c20 mediated degradation of mitotic proteins","Ras activation upon Ca2+ influx through NMDA receptor","Signaling by activated point mutants of FGFR3","p38MAPK events","HIV Transcription Elongation","A
PC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Tat-mediated elongation of the HIV-1 transcript","Cdc20:Phospho-APC/C mediated degradation of C
yclin A","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HA739358(DANUSERTIB,CHEMBL1981047,Kinome_3738,Kinome3738,Kinome-3738,"Kinome 3738",ACMC-20c501,ACMC20c501,SCHEMBL2685432,HMS3244O13,HMS3244O14,HMS3244P13,HMS3654A04,BDBM50466807,AKOS015851423,NCGC003
89696-01,NCGC0038969601,AK468661,DB-014747,DB014747,FT-0665468,FT0665468,136M937,T2094,S1107,Danusertib,PHA-739358(Danusertib),"Danusertib (PHA-739358)"}

> <pdid>
PD011133

> <targets>
{"Aurora | FGFR | Src-bcr-Abl","Aurora Kinase",c-RET,FGFR,Bcr-Abl}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{21874004}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 36 37  0  0  0  0            999 V2000
    3.8976   -0.7553    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
    2.4133    1.7530    0.0000 C   0  0
    1.8032    3.1233    0.0000 C   0  0
    2.5536    4.4230    0.0000 C   0  0
    1.7031    5.6607    0.0000 N   0  0
    2.3532    7.0124    0.0000 C   0  0
    1.5096    8.2538    0.0000 N   0  0
    2.1620    9.6054    0.0000 C   0  0
    1.3185   10.8467    0.0000 C   0  0
    1.9709   12.1983    0.0000 C   0  0
    1.1274   13.4397    0.0000 N   0  0
    1.7775   14.7915    0.0000 C   0  0
    0.9319   16.0305    0.0000 C   0  0
   -0.5639   15.9176    0.0000 N   0  0
   -1.4095   17.1566    0.0000 C   0  0
   -1.2140   14.5658    0.0000 C   0  0
   -0.3684   13.3269    0.0000 C   0  0
    3.8489    7.1253    0.0000 N   0  0
    4.6946    5.8864    0.0000 C   0  0
    4.0444    4.5346    0.0000 C   0  0
    4.8897    3.2954    0.0000 Cl  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
    0.0000   -1.5000    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    4.5642   -5.0103    0.0000 C   0  0
    5.3142   -3.7112    0.0000 C   0  0
   12.8142    6.0735    0.0000 Cl  0  0
   10.3142    6.0735    0.0000 Cl  0  0
    7.8142    6.0735    0.0000 Cl  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  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 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 14  1  0
  9 21  2  0
 21 22  1  0
 22 23  2  0
 23  7  1  0
 23 24  1  0
  6 25  1  0
 25 26  1  0
 26  4  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29  3  1  0
  2 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 31  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25633

> <plate>
PLATE 001

> <well>
D6

> <supplier_cmpd_name>
LY2409881 trihydrochloride

> <ctcr_id>
11946

> <supplier_cmpd_id>
.

> <smiles>
O=C(c1c2cc(c3nc(NCCCN4CCN(C)CC4)ncc3Cl)sc2ccc1)NC1CC1.Cl.Cl.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"LY2409881 trihydrochloride",946518-60-1,946518601,LY2409881,"LY2409881 (trihydrochloride)","LY-2409881 trihydrochloride",s7697,HY-B0788A,HYB0788A,EX-A548,EXA548,"LY2409881 3HCl",BCP16149,MFCD2890067
6,AKOS026674010,CCG-270171,CCG270171,CS-3957,CS3957,AC-30288,AC30288,AK198801,T2081}

> <pdid>
PD012315

> <targets>
{IKK2}

> <classes>
{NF-¦ªb}

> <pubchem_cids>
{68856073}

$$$$
TargetMol_L9000_Apoptosis 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_L9000_Apoptosis Compound Library

> <id>
25634

> <plate>
PLATE 001

> <well>
D7

> <supplier_cmpd_name>
XMD17-109

> <ctcr_id>
11406

> <supplier_cmpd_id>
.

> <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_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 37 40  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 O   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4811    5.2598    0.0000 N   0  0
   -5.1777    6.0039    0.0000 C   0  0
   -3.8826    5.2472    0.0000 O   0  0
   -5.1695    7.5047    0.0000 N   0  0
   -3.8661    8.2488    0.0000 C   0  0
   -3.7179    9.7286    0.0000 C   0  0
   -2.2486   10.0303    0.0000 C   0  0
   -1.5076    8.7261    0.0000 O   0  0
   -2.5190    7.6184    0.0000 N   0  0
   -1.6297   11.3948    0.0000 C   0  0
   -0.1369   11.5408    0.0000 C   0  0
   -0.7567   10.1750    0.0000 C   0  0
   -2.5027   12.6156    0.0000 C   0  0
   -1.8831   13.9817    0.0000 F   0  0
   -3.9956   12.4696    0.0000 F   0  0
   -3.3758   13.8354    0.0000 F   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 20  2  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 15 32  2  0
 32 11  1  0
  9 33  2  0
 33  5  1  0
 33 34  1  0
 34 35  2  0
 35  3  1  0
 35 36  1  0
 36 37  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25635

> <plate>
PLATE 001

> <well>
D8

> <supplier_cmpd_name>
CEP-32496

> <ctcr_id>
6980

> <supplier_cmpd_id>
.

> <smiles>
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC

> <pd_targets>
{BRAF,CYP2C19,SMO,RAF1,ABL1,MAP2K1,EGFR,JAK2,KDR,PDGFRB,EPHA2,MET,CSF1R,KIT,MAP2K2,LCK,RET}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Kinase,"Cytochrome P450","Frizzled family G protein-coupled receptor","Protein Kinase","Cytochrome P450 family 2","Smoothened receptor (frizzled family GPCR)","TKL protein 
kinase group","Cytochrome P450 family 2C","TK protein kinase group","STE protein kinase group","TKL protein kinase RAF family","Cytochrome P450 2C19","Tyrosine protein kinase Abl family","STE protein 
kinase STE7 family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase JakA family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase E
ph family","Tyrosine protein kinase Met family","Tyrosine protein kinase Src family","Tyrosine protein kinase Ret family"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Cytochrome P450","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CYP2 family: drug metabolising subset","Class Frizzled GPCRs","STE: 
Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","STE7 family","RAF family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine k
inases (RTKs)","Abl family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Janus kinase (JakA) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type I
II RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIII RTKs: Ephrin receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Src family","Type XIV RTKs: RET"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Organelle biogenesis and maintenance",Disease,"Cell Cycle","Developmental Biology","Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","Biolog
ical oxidations","Cilium Assembly","MAPK family signaling cascades","Infectious disease","Signaling by GPCR",Mitotic,"Intracellular signaling by second messengers","Nervous system development","RNA Po
lymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by NTRKs","Phase I - Functionalization of compounds","Cargo trafficking to the 
periciliary membrane","MAPK1/MAPK3 signaling","Leishmania infection","GPCR downstream signalling","Mitotic G1 phase and G1/S transition","Signaling by VEGF","PIP3 activates AKT signaling","Axon guidan
ce","Generic Transcription Pathway","Signaling by KIT in disease","HIV Infection","Signaling by NTRK1 (TRKA)","Cytochrome P450 - arranged by substrate type","BBSome-mediated cargo-targeting to cilium"
,"RAF/MAP kinase cascade","Parasite infection","G alpha (q) signalling events","G1 Phase","VEGFA-VEGFR2 Pathway","Negative regulation of the PI3K/AKT network","EPH-Ephrin signaling","Semaphorin intera
ctions","Transcriptional Regulation by VENTX","Drug resistance of KIT mutants","Host Interactions of HIV factors","RET signaling","Signalling to ERKs",Xenobiotics,"Negative regulation of MAPK pathway"
,"Leishmania phagocytosis","Gastrin-CREB signalling pathway via PKC and MAPK","Cyclin D associated events in G1","VEGFR2 mediated cell proliferation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","
EPHA-mediated growth cone collapse","Sema4D in semaphorin signaling","Dasatinib-resistant KIT mutants","The role of Nef in HIV-1 replication and disease pathogenesis","Prolonged ERK activation events"
,"CYP2E1 reactions","Negative feedback regulation of MAPK pathway","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","Sema4D mediated inhibition of cell attachment and migration","Nef-m
ediates down modulation of cell surface receptors by recruiting them to clathrin adapters","ARMS-mediated activation","Frs2-mediated activation","Nef Mediated CD4 Down-regulation"}

> <broad_targets>
{BRAF,RAF1}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{EP3249,CEP-32496,CEP32496,1188910-76-0,1188910760,Agerafenib,"CEP 32496",RXDX-105,RXDX105,UNII-78I4VEX88N,UNII78I4VEX88N,"1188910-76-0 (free base)","1188910760 (free base)",78I4VEX88N,CHEMBL2029988,"
RXDX-105 (CEP-32496)","RXDX105 (CEP32496)","Rxdx 105","CEP-32496 free base","CEP32496 free base","CEP-32496 (free base)","CEP32496 (free base)",GTPL7880,SCHEMBL1015932,HMS3653J1,T2070,S8015}

> <pdid>
PD010266

> <targets>
{Raf,CSF-1R}

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

> <pubchem_cids>
{56846693}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 35 38  0  0  1  0            999 V2000
    7.7054  -12.2661    0.0000 C   0  0
    7.2024  -10.8529    0.0000 N   0  0
    8.1745   -9.7095    0.0000 C   0  0  2  0  0  0
    7.6712   -8.2956    0.0000 C   0  0
    6.6876   -8.1152    0.0000 O   0  0
    8.6433   -7.1521    0.0000 N   0  0
    8.1401   -5.7382    0.0000 C   0  0  2  0  0  0
    6.6632   -5.4705    0.0000 C   0  0
    6.1574   -4.0584    0.0000 O   0  0
    5.6940   -6.6129    0.0000 N   0  0
    4.2151   -6.5101    0.0000 C   0  0  1  0  0  0
    3.6205   -7.8744    0.0000 C   0  0
    4.7579   -8.8522    0.0000 C   0  0
    6.0394   -8.0726    0.0000 C   0  0
    3.3372   -5.2929    0.0000 C   0  0
    3.8056   -3.8679    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.3786   -3.8595    0.0000 C   0  0
    1.8372   -5.2877    0.0000 S   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
    9.1109   -4.5936    0.0000 C   0  0
    8.6095   -3.1800    0.0000 C   0  0
    9.5830   -2.0388    0.0000 C   0  0
   11.0580   -2.3113    0.0000 C   0  0
   11.5595   -3.7250    0.0000 C   0  0
   10.5860   -4.8662    0.0000 C   0  0
    9.6499   -9.9800    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  7  6  1  6
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 10  1  0
 11 15  1  1
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 15  1  0
 17 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 25 28  1  0
  7 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 29  1  0
  3 35  1  6
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25636

> <plate>
PLATE 001

> <well>
D9

> <supplier_cmpd_name>
LCL161

> <ctcr_id>
11408

> <supplier_cmpd_id>
.

> <smiles>
CN[C@H](C(=O)N[C@H](C(=O)N1[C@@H](CCC1)c1nc(cs1)C(=O)c1ccc(cc1)F)C1CCCCC1)C

> <pd_targets>
{XIAP,BIRC2,BIRC3}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme}

> <pathway_chembl>
{"Other protein targets","Inhibitors of apoptosis (IAP) protein family"}

> <pathway_reactome>
{"Programmed Cell Death","Immune System",Apoptosis,"Innate Immune System","Intrinsic Pathway for Apoptosis","Toll-like Receptor Cascades","Apoptotic factor-mediated response","Toll Like Receptor 4 (TL
R4) Cascade","Cytochrome c-mediated apoptotic response","MyD88-independent TLR4 cascade","Formation of apoptosome","TRIF(TICAM1)-mediated TLR4 signaling","Regulation of the apoptosome activity","IKK c
omplex recruitment mediated by RIP1"}

> <broad_targets>
{BIRC2,XIAP}

> <broad_moa>
{"XIAP inhibitor"}

> <synonyms>
{LCL161,1005342-46-0,1005342460,LCL-161,"LCL 161",UNII-6TNS415Y3P,UNII6TNS415Y3P,6TNS415Y3P,CHEMBL2431768,NVP-LCL161,NVPLCL161,C26H33FN4O3S,GTPL7912,SCHEMBL1275369,AOB4073,EX-A533,EXA533,2508AH,BDBM50
441356,MFCD23160049,NSC772868,s7009,ZINC95929260,CCG-269696,CCG269696,CS-1630,CS1630,DB12085,NSC-772868,SB193,T2080}

> <pdid>
PD012566

> <targets>
{cIAP}

> <classes>
{Apoptosis}

> <pubchem_cids>
{24737642}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 20 22  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -3.8805   -1.4410    0.0000 O   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -2.5536   -4.4230    0.0000 C   0  0
   -1.7031   -5.6606    0.0000 C   0  0
   -2.3532   -7.0124    0.0000 C   0  0
   -3.8489   -7.1253    0.0000 C   0  0
   -4.4991   -8.4771    0.0000 O   0  0
   -4.6946   -5.8864    0.0000 N   0  0
   -4.0444   -4.5346    0.0000 C   0  0
   -4.8897   -3.2954    0.0000 O   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.6924   -4.0811    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 10  1  0
 16 17  2  0
  9 18  1  0
 18 19  2  0
 18 20  1  0
 20  2  1  0
 20  6  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25637

> <plate>
PLATE 001

> <well>
D10

> <supplier_cmpd_name>
Pomalidomide

> <ctcr_id>
686

> <supplier_cmpd_id>
.

> <smiles>
Nc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12

> <pd_targets>
{GAPC,IL1B,CRBN,IL6,MDC1,TNF,CSF2,CCL3,IKZF3,IKZF1,CUL4A,DDB1,RBX1,PTGS2}

> <pathway_gtopdb>
{Enzyme,"Secreted protein","Unclassified protein",Oxidoreductase}

> <pathway_chembl>
{Enzymes,"E3 ubiquitin ligase components","Eicosanoid turnover",Cyclooxygenase}

> <pathway_reactome>
{Disease,"DNA Repair","Immune System","Gene expression (Transcription)","Signal Transduction",Metabolism,"Infectious disease","DNA Double-Strand Break Repair","Cytokine Signaling in Immune system","RN
A Polymerase II Transcription","Signaling by GPCR","Metabolism of lipids","Leishmania infection","SARS-CoV Infections","Homology Directed Repair","Signaling by Interleukins","Generic Transcription Pat
hway","GPCR ligand binding","Biosynthesis of specialized proresolving mediators (SPMs)","Cell recruitment (pro-inflammatory response)","Potential therapeutics for SARS","Leishmania parasite growth and
 survival","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Interleukin-10 signaling","Transcriptional regulation by RUNX1","Class A/1 (Rhodopsin-like receptors)","Biosyn
thesis of DPA-derived SPMs","Purinergic signaling in leishmaniasis infection","Anti-inflammatory response favouring Leishmania parasite infection","Processing of DNA double-strand break ends","RUNX1 r
egulates transcription of genes involved in differentiation of myeloid cells","Peptide ligand-binding receptors","Biosynthesis of DPAn-3 SPMs","ADORA2B mediated anti-inflammatory cytokines production"
,"Chemokine receptors bind chemokines"}

> <broad_targets>
{}

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

> <synonyms>
{C404,Pomalidomide,19171-19-8,19171198,"4-amino-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione","4amino2(2,6dioxopiperidin3yl)isoindoline1,3dione",Actimid,CC-4047,CC4047,Pomalyst,Imnovid,"4-Amino-2-
(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione","4Amino2(2,6dioxo3piperidyl)isoindoline1,3dione",4-Aminothalidomide,4Aminothalidomide,"Pomalidomide (CC-4047)","Pomalidomide (CC4047)",3-Amino-N-(2,3Amino
N(2,6-dioxo-3-piperi,6dioxo3piperi,T2384,775351,S1567}

> <pdid>
PD004117

> <targets>
{TNF-alpha,COX,Apoptosis,Ligand for E3 Ligase}

> <classes>
{Apoptosis,PROTAC}

> <pubchem_cids>
{134780}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 29 31  0  0  0  0            999 V2000
    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
    0.0000    3.0008    0.0000 S   0  0
   -1.2993    3.7504    0.0000 O   0  0
   -1.2989    2.2506    0.0000 O   0  0
    1.2993    3.7521    0.0000 N   0  0
    2.5988    3.0029    0.0000 C   0  0
    3.8973    3.7537    0.0000 C   0  0
    3.8964    5.2537    0.0000 O   0  0
    2.5969    6.0029    0.0000 C   0  0
    1.2983    5.2521    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 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 C   0  0
    9.0866   -5.2610    0.0000 Cl  0  0
    3.8904   -8.2609    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
  5  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
  1 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  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
 26 28  1  0
 23 29  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25638

> <plate>
PLATE 001

> <well>
D11

> <supplier_cmpd_name>
SP2509

> <ctcr_id>
11947

> <supplier_cmpd_id>
.

> <smiles>
C(=O)(c1cc(ccc1)S(=O)(=O)N1CCOCC1)N/N=C(\C)/c1c(ccc(c1)Cl)O

> <pd_targets>
{KDM1A,CYP2C9,CYP3A4,CYP2C19}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,"Cytochrome P450","Lysine demethylase","Cytochrome P450 family 2","Cytochrome P450 family 3","Lysine-specific demethylase","Cytochrome P450 family 2C","Cytochrome
 P450 family 3A","Cytochrome P450 2C9","Cytochrome P450 3A4","Cytochrome P450 2C19"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Cytochrome P450","1.14.11.- Histone demethylases","CYP2 family: drug metabolising subset","CYP3 family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Intracellular signaling by second messengers","Biological oxidations","Metabolism of lipids","PIP3 activates AKT signaling","Phase I - Functionalization of compounds
","Biosynthesis of specialized proresolving mediators (SPMs)","PTEN Regulation","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Regulation of PTEN gene transcription
",Xenobiotics,"Biosynthesis of maresins","CYP2E1 reactions","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SP2509,1423715-09-6,1423715096,SCHEMBL14696905,AOB87763,ZINC57407777,AKOS026750416,A14443,1287421-04-8,1287421048,T2304}

> <pdid>
PD012831

> <targets>
{LSD1,Apoptosis,Histone Demethylase}

> <classes>
{Chromatin/Epigenetic,Apoptosis,Epigenetics}

> <pubchem_cids>
{136062272}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 61 68  0  0  0  0            999 V2000
   -7.7568   -4.4434    0.0000 C   0  0
   -7.8049   -5.9426    0.0000 C   0  0
   -9.0926   -6.7120    0.0000 C   0  0
   -6.4995   -5.2037    0.0000 C   0  0
   -5.2069   -5.9647    0.0000 C   0  0
   -5.2196   -7.4647    0.0000 C   0  0
   -6.5250   -8.2036    0.0000 C   0  0
   -7.8177   -7.4425    0.0000 C   0  0
   -6.5378   -9.7042    0.0000 C   0  0
   -5.2464  -10.4674    0.0000 C   0  0
   -5.2616  -11.9674    0.0000 C   0  0
   -6.5681  -12.7042    0.0000 C   0  0
   -6.5833  -14.2041    0.0000 Cl  0  0
   -7.8595  -11.9411    0.0000 C   0  0
   -7.8444  -10.4412    0.0000 C   0  0
   -3.9247   -8.2235    0.0000 C   0  0
   -2.6197   -7.4823    0.0000 N   0  0
   -1.3244   -8.2389    0.0000 C   0  0
   -0.0216   -7.4954    0.0000 C   0  0
   -0.0140   -5.9954    0.0000 N   0  0
   -1.3093   -5.2389    0.0000 C   0  0
   -2.6121   -5.9823    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    5.1954   -3.0153    0.0000 C   0  0
    5.2033   -1.5153    0.0000 O   0  0
    6.4915   -3.7721    0.0000 N   0  0
    7.7954   -3.0289    0.0000 S   0  0
    6.5004   -2.2719    0.0000 O   0  0
    7.8032   -1.5289    0.0000 O   0  0
    9.0914   -3.7857    0.0000 C   0  0
    9.0841   -5.2857    0.0000 C   0  0
   10.3794   -6.0420    0.0000 C   0  0
   11.6821   -5.2984    0.0000 C   0  0
   12.9766   -6.0579    0.0000 N   0  0
   12.9671   -7.5587    0.0000 C   0  0
   14.2616   -8.3181    0.0000 C   0  0
   14.2543   -9.8181    0.0000 C   0  0
   15.5496  -10.5745    0.0000 C   0  0
   16.8523   -9.8309    0.0000 O   0  0
   16.8597   -8.3310    0.0000 C   0  0
   15.5644   -7.5746    0.0000 C   0  0
   11.6895   -3.7984    0.0000 C   0  0
   10.3941   -3.0421    0.0000 C   0  0
   12.9914   -3.0517    0.0000 N   0  3
   12.9966   -1.5517    0.0000 O   0  0
   14.2880   -3.8058    0.0000 O   0  5
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  2  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
  6 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 20 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  2  0
 30 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 39  1  0
 36 45  1  0
 45 46  2  0
 46 33  1  0
 45 47  1  0
 47 48  2  0
 47 49  1  0
 26 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  2  0
 53 54  1  0
 54 55  2  0
 55 56  1  0
 56 57  1  0
 57 58  2  0
 58 59  1  0
 59 55  1  0
 59 60  2  0
 60 52  1  0
 50 61  2  0
 61 23  1  0
M  CHG  2  47   1  49  -1
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25639

> <plate>
PLATE 001

> <well>
E2

> <supplier_cmpd_name>
ABT-199

> <ctcr_id>
2664

> <supplier_cmpd_id>
.

> <smiles>
CC1(C)CCC(=C(C1)c2ccc(Cl)cc2)CN3CCN(CC3)c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c(c5)[N+](=O)[O-])c(Oc7cnc8[nH]ccc8c7)c4

> <pd_targets>
{BCL2,BCL2L1,BCL2L2,MCL1}

> <pathway_gtopdb>
{"Ion channel","Other cytosolic protein","Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{"Other protein targets","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{"Immune System",Disease,"Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Immune system","Nucleotide-binding domain","le
ucine rich repeat containing receptor (NLR) signaling pathways","FLT3 signaling in disease","Signaling by Interleukins",Inflammasomes,"Signaling by FLT3 ITD and TKD mutants","Interleukin-4 and Interle
ukin-13 signaling","The NLRP1 inflammasome","STAT5 activation downstream of FLT3 ITD mutants"}

> <broad_targets>
{BCL2}

> <broad_moa>
{"BCL inhibitor"}

> <synonyms>
{HY-15531,HY15531,QC-11704,QC11704,Venetoclax,ABT-199,ABT199,1257044-40-8,1257044408,Venclexta,GDC-0199,GDC0199,"ABT 199",UNII-N54AIC43PW,UNIIN54AIC43PW,"GDC 0199",RG7601,"Venetoclax; Abt-199","Veneto
clax; Abt199","Venetoclax (ABT199)",RG-7601,N54AIC43PW,"ABT-199 (GDC-0199)","ABT199 (GDC0199)","Venetoclax (ABT-199)",venclyxto,BDBM189459,T2119,766270,16233,S8048}

> <pdid>
PD003393

> <targets>
{Bcl-2,Autophagy,Bcl-2 Family}

> <classes>
{Apoptosis,Autophagy}

> <pubchem_cids>
{49846579}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 25 26  0  0  0  0            999 V2000
    7.7965   -1.5150    0.0000 C   0  0
    6.4990   -0.7623    0.0000 C   0  0
    5.1972   -1.5092    0.0000 O   0  0
    3.8990   -0.7562    0.0000 C   0  0
    3.9026    0.7438    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5937   -3.0039    0.0000 C   0  0
    2.5901   -4.5039    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    3.8971    3.7500    0.0000 Br  0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 C   0  0
   -1.2946   -3.7531    0.0000 O   0  0
    1.3039   -3.7494    0.0000 O   0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6071   -5.9984    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  3  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  3
 19  9  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 18 25  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25640

> <plate>
PLATE 001

> <well>
E3

> <supplier_cmpd_name>
HA14-1

> <ctcr_id>
608

> <supplier_cmpd_id>
.

> <smiles>
CCOC(=O)C(C#N)C1c2cc(Br)ccc2OC(=C1C(=O)OCC)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{BCL2}

> <broad_moa>
{"BCL inhibitor"}

> <synonyms>
{A14,ha14-1,ha141,65673-63-4,65673634,"HA 14-1","HA 141",MFCD00218213,HA-14-1,HA141,927635-64-1,927635641,SR-01000511000,SR01000511000,C17H17BrN2O5,Maybridge1_000786,Maybridge1000786,Maybridge1-000786
,"Maybridge1 000786","2-oxo-2-(2-(tritylamino)thiazol-5-yl)acetic acid","2oxo2(2(tritylamino)thiazol5yl)acetic acid",BSPBio_001583,BSPBio001583,BSPBio-001583,"BSPBio 001583",KBioGR_000303,KBioGR000303
,KBioGR-000303,"KBioGR 000303",KBioSS_000303,KBioSS000303,KBioSS-000303,"KBioSS 000303",cc-453,cc453,SCHEMBL1427458,CHEBI:94328,HMS543L16,KBio,S1071,HA14-1}

> <pdid>
PD011152

> <targets>
{"BCL2 FAMILY",Bcl-2}

> <classes>
{Apoptosis}

> <pubchem_cids>
{3549}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 56 61  0  0  1  0            999 V2000
    9.0926   -3.7747    0.0000 C   0  0
    7.7959   -3.0206    0.0000 N   0  0
    7.8011   -1.5206    0.0000 C   0  0
    6.4933   -3.7660    0.0000 C   0  0
    5.1959   -3.0115    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0  2  0  0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4886   -5.2610    0.0000 C   0  0
    7.7876   -6.0110    0.0000 C   0  0
    7.7875   -7.5110    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    3.8912   -8.2640    0.0000 N   0  3
    2.5909   -7.5163    0.0000 O   0  5
    3.8934   -9.7640    0.0000 O   0  0
    9.0873   -8.2614    0.0000 S   0  0
    9.0868   -9.7614    0.0000 O   0  0
   10.3859   -9.0121    0.0000 O   0  0
   10.3875   -7.5119    0.0000 N   0  0
   11.6872   -8.2623    0.0000 C   0  0
   11.6867   -9.7623    0.0000 O   0  0
   12.9875   -7.5128    0.0000 C   0  0
   14.2876   -8.2609    0.0000 C   0  0
   15.5856   -7.5091    0.0000 C   0  0
   15.5836   -6.0091    0.0000 C   0  0
   14.2835   -5.2609    0.0000 C   0  0
   12.9855   -6.0127    0.0000 C   0  0
   16.8822   -5.2570    0.0000 N   0  0
   18.1836   -6.0031    0.0000 C   0  0
   19.4804   -5.2492    0.0000 C   0  0
   19.4760   -3.7492    0.0000 N   0  0
   18.1747   -3.0031    0.0000 C   0  0
   16.8779   -3.7569    0.0000 C   0  0
   20.7719   -2.9923    0.0000 C   0  0
   20.7653   -1.4915    0.0000 C   0  0
   19.4615   -0.7497    0.0000 C   0  0
   19.4519    0.7502    0.0000 C   0  0
   20.7461    1.5086    0.0000 C   0  0
   22.0499    0.7669    0.0000 C   0  0
   22.0595   -0.7331    0.0000 C   0  0
   23.3640   -1.4750    0.0000 C   0  0
   23.3761   -2.9751    0.0000 C   0  0
   24.6811   -3.7146    0.0000 C   0  0
   25.9741   -2.9542    0.0000 C   0  0
   27.2791   -3.6938    0.0000 Cl  0  0
   25.9621   -1.4543    0.0000 C   0  0
   24.6571   -0.7147    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
  6 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 19 25  1  0
 25 26  2  0
 25 27  2  0
 25 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
 34 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 37  1  0
 40 43  1  0
 43 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 48 49  2  0
 49 44  1  0
 49 50  1  0
 50 51  2  0
 51 52  1  0
 52 53  2  0
 53 54  1  0
 53 55  1  0
 55 56  2  0
 56 50  1  0
M  CHG  2  22   1  23  -1
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25641

> <plate>
PLATE 001

> <well>
E4

> <supplier_cmpd_name>
ABT-737

> <ctcr_id>
4034

> <supplier_cmpd_id>
.

> <smiles>
CN(C)CC[C@H](CSc1ccccc1)Nc2ccc(cc2[N+]([O-])=O)[S](=O)(=O)NC(=O)c3ccc(cc3)N4CCN(CC4)Cc5ccccc5c6ccc(Cl)cc6

> <pd_targets>
{BCL2L1,BCL2L2,MCL1,BCL2,BAK1,BBC3,BAX,BID,BAD,BCL2L11}

> <pathway_gtopdb>
{"Ion channel","Other cytosolic protein","Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{"Other protein targets","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{Disease,"Immune System","Programmed Cell Death","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Immune system","Innate Immune System",Apoptos
is,"FLT3 signaling in disease","Signaling by Interleukins","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling pathways","Intrinsic Pathway for Apoptosis","Signaling b
y FLT3 ITD and TKD mutants","Interleukin-4 and Interleukin-13 signaling",Inflammasomes,"Activation of BH3-only proteins","STAT5 activation downstream of FLT3 ITD mutants","The NLRP1 inflammasome","Act
ivation of BAD and translocation to mitochondria"}

> <broad_targets>
{BCL2,BCL2L1,BCL2L2}

> <broad_moa>
{"BCL inhibitor"}

> <synonyms>
{BT73,ABT-737,ABT737,852808-04-9,852808049,"ABT 737",UNII-Z5NFR173NV,UNIIZ5NFR173NV,Z5NFR173NV,CHEMBL376408,C42H45ClN6O5S2,2yxj,PubChem20162,N3C,cc-242,cc242,SCHEMBL158942,GTPL8320,QCR-51,QCR51,DTXSID
7042641,"N-Benylpiperazine derivative, 2","NBenylpiperazine derivative, 2",BDBM21447,CHEBI:47575,AOB2880,EX-A056,EXA056,SYN1001,AB,11501}

> <pdid>
PD003415

> <targets>
{"BCL2 FAMILY"}

> <classes>
{}

> <pubchem_cids>
{11228183}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 28 30  0  0  0  0            999 V2000
    5.1065    0.0000    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  3
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.1904    2.6376    0.0000 C   0  0
    4.6588    2.9478    0.0000 C   0  0
    5.1253    4.3743    0.0000 O   0  0
    6.5929    4.6844    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    3.1905   -2.6376    0.0000 C   0  0
    4.6589   -2.9478    0.0000 C   0  0
    5.1272   -4.3728    0.0000 N   0  0
    6.5954   -4.6799    0.0000 C   0  0
    7.5954   -3.5619    0.0000 C   0  0
    7.1272   -2.1368    0.0000 N   0  0
    5.6590   -1.8298    0.0000 C   0  0
   10.0954    0.0023    0.0000 Br  0  5
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  2  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  5 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 13  1  0
 18 19  1  0
 19  4  1  0
 19 20  2  0
  3 21  1  0
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  3
 25 26  1  0
 26 27  2  3
 27 22  1  0
M  CHG  2   3   1  28  -1
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25642

> <plate>
PLATE 001

> <well>
E5

> <supplier_cmpd_name>
YM155

> <ctcr_id>
2044

> <supplier_cmpd_id>
.

> <smiles>
CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]

> <pd_targets>
{REP,PAK1}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","STE protein kinase group","STE protein kinase STE20 family","STE protein kinase PAKA subfamily"}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Anti-infective targets","Kinases (EC 2.7.x.x)","Viral protein targets","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Coronavirus (CoV) protein
s","STE20 family","PAKA subfamily"}

> <pathway_reactome>
{Disease,"Developmental Biology","Infectious disease","Nervous system development","SARS-CoV Infections","Axon guidance","SARS-CoV-2 Infection","EPH-Ephrin signaling","SARS-CoV-2 Genome Replication an
d Transcription","EPHB-mediated forward signaling","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
{BIRC5}

> <broad_moa>
{"survivin inhibitor"}

> <synonyms>
{781661-94-7,781661947,"Sepantronium bromide",YM155,YM-155,"Ym 155","YM155 (Sepantronium Bromide)",UNII-7H5Q4J1CM5,UNII7H5Q4J1CM5,7H5Q4J1CM5,"Sepantronium bromide (USAN:INN)","sepantronii bromidum","b
romuro de sepantronio","bromure de sepantronium",MLS006010288,SCHEMBL727997,S1130,"Sepantronium (bromide)"}

> <pdid>
PD003332

> <targets>
{Survivin}

> <classes>
{Apoptosis}

> <pubchem_cids>
{11178236}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 65 71  0  0  1  0            999 V2000
    2.5800    0.0305    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2638   -2.2496    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 N   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
   -2.5795   -7.5047    0.0000 C   0  0
   -3.8747   -8.2614    0.0000 C   0  0
   -3.8672   -9.7614    0.0000 C   0  0
   -2.5644  -10.5048    0.0000 C   0  0
   -1.2691   -9.7483    0.0000 C   0  0
   -1.2767   -8.2483    0.0000 C   0  0
   -2.5537  -12.0056    0.0000 C   0  0
   -3.8476  -12.7644    0.0000 O   0  0
   -1.2491  -12.7476    0.0000 N   0  0
   -1.2384  -14.2484    0.0000 S   0  0
   -2.5427  -13.5074    0.0000 O   0  0
   -2.5324  -15.0072    0.0000 O   0  0
    0.0661  -14.9904    0.0000 C   0  0
    0.0758  -16.4903    0.0000 C   0  0
    1.3797  -17.2319    0.0000 C   0  0
    2.6739  -16.4735    0.0000 C   0  0
    3.9769  -17.2182    0.0000 N   0  0
    3.9845  -18.7190    0.0000 C   0  0  2  0  0  0
    5.2867  -19.4651    0.0000 C   0  0
    6.5845  -18.7112    0.0000 C   0  0
    7.8867  -19.4573    0.0000 N   0  0
    9.1849  -18.7057    0.0000 C   0  0
   10.4849  -19.4541    0.0000 C   0  0
   10.4868  -20.9541    0.0000 O   0  0
    9.1887  -21.7057    0.0000 C   0  0
    7.8887  -20.9574    0.0000 C   0  0
    2.6868  -19.4729    0.0000 C   0  0
    1.3845  -18.7268    0.0000 S   0  0
    0.0868  -19.4807    0.0000 C   0  0
   -1.2158  -18.7369    0.0000 C   0  0
   -2.5113  -19.4930    0.0000 C   0  0
   -2.5042  -20.9930    0.0000 C   0  0
   -1.2017  -21.7368    0.0000 C   0  0
    0.0938  -20.9807    0.0000 C   0  0
    2.6642  -14.9735    0.0000 C   0  0
    1.3603  -14.2320    0.0000 C   0  0
    3.9590  -14.2147    0.0000 S   0  0
    3.9488  -12.7148    0.0000 O   0  0
    2.6550  -13.4734    0.0000 O   0  0
    5.2641  -14.9559    0.0000 C   0  0
    6.5582  -14.1975    0.0000 F   0  0
    5.2743  -16.4559    0.0000 F   0  0
    6.5681  -15.6973    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.4995    3.7442    0.0000 Cl  0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  2  0
 24 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 32 31  1  6
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 35  1  0
 32 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 43  1  0
 30 49  1  0
 49 50  2  0
 50 27  1  0
 49 51  1  0
 51 52  2  0
 51 53  2  0
 51 54  1  0
 54 55  1  0
 54 56  1  0
 54 57  1  0
  7 58  1  0
 58  2  1  0
  6 59  1  0
 59 60  2  0
 60 61  1  0
 61 62  2  0
 62 63  1  0
 62 64  1  0
 64 65  2  0
 65 59  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25643

> <plate>
PLATE 001

> <well>
E6

> <supplier_cmpd_name>
Navitoclax

> <ctcr_id>
1167

> <supplier_cmpd_id>
.

> <smiles>
CC1(C)CCC(=C(CN2CCN(CC2)c3ccc(cc3)C(=O)N[S](=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc6ccccc6)c(c4)[S](=O)(=O)C(F)(F)F)C1)c7ccc(Cl)cc7

> <pd_targets>
{BCL2,BCL2L1,MCL1,BCL2L11,BCL2L2}

> <pathway_gtopdb>
{"Ion channel","Other cytosolic protein","Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{"Other protein targets","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{"Immune System",Disease,"Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Immune system","Nucleotide-binding domain","le
ucine rich repeat containing receptor (NLR) signaling pathways","FLT3 signaling in disease","Signaling by Interleukins",Inflammasomes,"Signaling by FLT3 ITD and TKD mutants","Interleukin-4 and Interle
ukin-13 signaling","The NLRP1 inflammasome","STAT5 activation downstream of FLT3 ITD mutants"}

> <broad_targets>
{BCL2,BCL2L1,BCL2L2}

> <broad_moa>
{"BCL inhibitor"}

> <synonyms>
{BT26,Navitoclax,923564-51-6,923564516,ABT-263,ABT263,"ABT 263","ABT-263 (Navitoclax)","ABT263 (Navitoclax)",UNII-XKJ5VVK2WD,UNIIXKJ5VVK2WD,"Navitoclax (ABT-263)","Navitoclax (ABT263)",XKJ5VVK2WD,C47H
55ClF3N5O6S3,CHEMBL443684,A-855071.0,A855071.0,"Navitoclax (USAN:INN)",navitoclaxum,"ABT-263 Navitoclax","ABT263 Navitoclax","ABT-263,Navitoclax","ABT263,Navitoclax",PubChe,T2101,S1001}

> <pdid>
PD003309

> <targets>
{BCL2 FAMILY,Bcl-2 Family}

> <classes>
{Apoptosis}

> <pubchem_cids>
{24978538}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 29 32  0  0  0  0            999 V2000
    7.5955   -3.5619    0.0000 C   0  0
    6.5954   -4.6799    0.0000 C   0  0
    5.1272   -4.3728    0.0000 C   0  0
    4.6589   -2.9478    0.0000 C   0  0
    5.6590   -1.8298    0.0000 C   0  0
    7.1272   -2.1368    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 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
   -2.5981   -1.5000    0.0000 Cl  0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    9.0651   -3.8660    0.0000 N   0  0
   10.0641   -2.7460    0.0000 C   0  0
   11.5338   -3.0502    0.0000 C   0  0
   12.5339   -1.9322    0.0000 C   0  0
   14.0021   -2.2392    0.0000 N   0  0
   14.4704   -3.6642    0.0000 C   0  0
   13.4704   -4.7823    0.0000 C   0  0
   12.0021   -4.4753    0.0000 C   0  0
   15.9394   -3.9714    0.0000 C   0  0
   16.9401   -2.8540    0.0000 F   0  0
   16.4072   -5.3966    0.0000 F   0  0
   17.4075   -4.2791    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
  4  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
 13 15  1  0
 10 16  1  0
 16 17  1  0
 17  8  2  0
  1 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25644

> <plate>
PLATE 001

> <well>
E7

> <supplier_cmpd_name>
Pexidartinib

> <ctcr_id>
11948

> <supplier_cmpd_id>
.

> <smiles>
c1(ccc(cn1)Cc1c2c(ncc(c2)Cl)[nH]c1)NCc1cnc(cc1)C(F)(F)F

> <pd_targets>
{KDR,CSF1R,KIT,FLT3,NTRK3,LCK,FLT1,CDK19,PDGFRB}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","CMGC protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Trk family"
,"Tyrosine protein kinase Src family","CMGC protein kinase CDK family","CMGC protein kinase CDK8 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TK: Tyrosine kinase","Cyclin-dependent kinase (CDK) family","Recepto
r tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","CDK8 subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 rece
ptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Src family"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Disease,Metabolism,"Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor
 receptors and second messengers","Infectious disease","Metabolism of lipids","Intracellular signaling by second messengers","Signaling by VEGF","Generic Transcription Pathway","Signaling by KIT in di
sease","Signaling by Insulin receptor","Signaling by NTRKs","HIV Infection","Regulation of lipid metabolism by PPARalpha","PIP3 activates AKT signaling","VEGFA-VEGFR2 Pathway","Transcriptional Regulat
ion by VENTX","Drug resistance of KIT mutants","Insulin receptor signalling cascade","Signaling by NTRK3 (TRKC)","Host Interactions of HIV factors","VEGF ligand-receptor interactions","PPARA activates
 gene expression","Negative regulation of the PI3K/AKT network","VEGFR2 mediated cell proliferation","Dasatinib-resistant KIT mutants","IRS-mediated signalling","Activated NTRK3 signals through PI3K",
"The role of Nef in HIV-1 replication and disease pathogenesis","VEGF binds to VEGFR leading to receptor dimerization",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","PI3K Cascade","Nef-mediates dow
n modulation of cell surface receptors by recruiting them to clathrin adapters","Nef Mediated CD4 Down-regulation"}

> <broad_targets>
{CSF1R,FLT3,KIT}

> <broad_moa>
{"tyrosine kinase inhibitor"}

> <synonyms>
{NSC800843,s7818,Pexidartinib,1029044-16-3,1029044163,"Pexidartinib (PLX3397)",PLX3397,PLX-3397,Turalio,UNII-6783M2LV5X,UNII6783M2LV5X,CML-261,CML261,CHEMBL3813873,6783M2LV5X,"1029044-16-3 (free base)
","1029044163 (free base)","Pexidartinib (INN)",pexidartinibum,"Pexidartinib (USAN)",Pexidartinib(PLX,T2115}

> <pdid>
PD012397

> <targets>
{CSF-1R,c-Kit,Kit,FLT3}

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

> <pubchem_cids>
{25151352}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 32 33  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -6.5025   -0.7576    0.0000 O   0  0
   -7.8026   -1.5057    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -9.0967    3.7462    0.0000 C   0  0
   -9.0947    5.2471    0.0000 N   0  0
  -10.3929    6.0001    0.0000 C   0  0
  -10.3908    7.5009    0.0000 C   0  0
  -11.6890    8.2540    0.0000 C   0  0
  -11.6891    9.7540    0.0000 C   0  0
  -12.9881   10.5040    0.0000 C   0  0
  -12.9851   12.0048    0.0000 O   0  0
  -11.6850   12.7530    0.0000 C   0  0
  -14.2872    9.7540    0.0000 C   0  0
  -15.5885   10.5017    0.0000 O   0  0
  -16.8865    9.7499    0.0000 C   0  0
  -14.2872    8.2540    0.0000 C   0  0
  -12.9881    7.5040    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.0987    5.6236    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  2  0
 27 18  1  0
 13 28  1  0
 28 29  2  0
 29  8  1  0
  5 30  1  0
 30 31  2  0
 31  2  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25645

> <plate>
PLATE 001

> <well>
E8

> <supplier_cmpd_name>
SBE 13 hydrochloride

> <ctcr_id>
11415

> <supplier_cmpd_id>
.

> <smiles>
Clc1ncc(COc2c(OC)cc(CNCCc3cc(OC)c(OC)cc3)cc2)cc1.Cl

> <pd_targets>
{FTL}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Vesicle-mediated transport","Membrane Trafficking","trans-Golgi Network Vesicle Budding","Golgi Associated Vesicle Biogenesis"}

> <broad_targets>
{PLK1}

> <broad_moa>
{"PLK inhibitor"}

> <synonyms>
{1052532-15-6,1052532156,"SBE13 hydrochloride","SBE 13 hydrochloride","SBE 13 HCl","SBE13 (Hydrochloride)","SBE-13 HCl","SBE13 HCl",MLS000538104,C24H27ClN2O4.ClH,"SBE-13 HCl;SBE13 HCl","SBE13 HCl;SBE1
3 HCl",CHEMBL1584055,SCHEMBL18797681,AOB6814,DTXSID10474576,EX-A81,EXA81,T2271}

> <pdid>
PD070066

> <targets>
{"Polo-like Kinase",PLK1,PLK2,PLK3,Apoptosis,Autophagy,"Polo-like Kinase (PLK)"}

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

> <pubchem_cids>
{11948807}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 42 47  0  0  0  0            999 V2000
    4.9573   -8.7775    0.0000 C   0  0
    4.4162   -7.3785    0.0000 O   0  0
    2.9334   -7.1466    0.0000 C   0  0
    1.9941   -8.3161    0.0000 C   0  0
    0.5116   -8.0874    0.0000 C   0  0
   -0.0316   -6.6892    0.0000 C   0  0
    0.9077   -5.5197    0.0000 C   0  0
    2.3903   -5.7483    0.0000 C   0  0
    3.3277   -4.5763    0.0000 N   0  0
    2.7822   -3.1780    0.0000 C   0  0
    3.7175   -2.0053    0.0000 N   0  0
    3.1695   -0.6090    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 N   0  0
    2.5242    2.0130    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.0000    3.2286    0.0000 O   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.4523    2.0983    0.0000 C   0  0
   -3.8856    1.6561    0.0000 C   0  0
   -4.2194    0.1937    0.0000 C   0  0
   -3.1198   -0.8265    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 N   0  0
   -1.4008   -2.9088    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.2990   -2.9545    0.0000 N   0  0
   -0.4306   -9.2556    0.0000 C   0  0
    0.1101  -10.6547    0.0000 O   0  0
   -1.9135   -9.0247    0.0000 N   0  0
   -2.8570  -10.1909    0.0000 C   0  0
   -4.3386   -9.9571    0.0000 C   0  0
   -4.8770   -8.5570    0.0000 C   0  0
   -3.9336   -7.3908    0.0000 C   0  0
   -2.4520   -7.6246    0.0000 C   0  0
   -6.3594   -8.3231    0.0000 N   0  0
   -7.3047   -9.4878    0.0000 C   0  0
   -8.7860   -9.2516    0.0000 C   0  0
   -9.3221   -7.8507    0.0000 N   0  0
  -10.8034   -7.6145    0.0000 C   0  0
   -8.3769   -6.6860    0.0000 C   0  0
   -6.8956   -6.9221    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 13  1  0
 26 27  2  0
 27 10  1  0
  5 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 30  1  0
 33 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 41 42  1  0
 42 36  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25646

> <plate>
PLATE 001

> <well>
E9

> <supplier_cmpd_name>
LRRK2-IN-1

> <ctcr_id>
8329

> <supplier_cmpd_id>
.

> <smiles>
COc1cc(ccc1Nc2ncc3N(C)C(=O)c4ccccc4N(C)c3n2)C(=O)N5CCC(CC5)N6CCN(C)CC6

> <pd_targets>
{LRRK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","TKL protein kinase LRRK family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TKL: Tyrosine kinase-like","Leucine-rich repeat kinase (LRRK) family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Non-Receptor Tyrosine Kinases","Signaling by PTK6","PTK6 promotes HIF1A stabilization"}

> <broad_targets>
{LRRK2}

> <broad_moa>
{"leucine rich repeat kinase inhibitor"}

> <synonyms>
{RRK2IN,LRRK2-IN-1,LRRK2IN1,1234480-84-2,1234480842,LRRK-2IN1,LRRK2-IN1,CHEMBL2012582,CHEBI:78413,4K4,"LRRK2-IN 1","LRRK2IN 1",LRRK2-TN-1,LRRK2TN1,MLS003230940,SCHEMBL616761,GTPL9396,DTXSID70676751,EX
-A644,EXA644,C31H38N8O3,HMS3265O17,HMS3265O18,HMS3265P17,HMS3265P18,BCP14860,3787AH,ABP0010,T2246,4273}

> <pdid>
PD003580

> <targets>
{"RIP kinase family"}

> <classes>
{}

> <pubchem_cids>
{46843906}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 24 26  0  0  0  0            999 V2000
    0.9095  -12.3136    0.0000 C   0  0
    1.8720  -11.1631    0.0000 O   0  0
    1.3574   -9.7532    0.0000 C   0  0
   -0.1195   -9.4910    0.0000 C   0  0
   -0.6308   -8.0808    0.0000 C   0  0
    0.3347   -6.9328    0.0000 C   0  0
    1.8116   -7.1951    0.0000 C   0  0
    2.3230   -8.6053    0.0000 C   0  0
   -0.1741   -5.5209    0.0000 C   0  0
   -1.6506   -5.2561    0.0000 O   0  0
    0.7936   -4.3737    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -1.1506   -2.6313    0.0000 O   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
    2.5981    1.5000    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
 16 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  1  0
 22 24  2  0
 24 12  1  0
 24 17  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25647

> <plate>
PLATE 001

> <well>
E10

> <supplier_cmpd_name>
YK-4-279

> <ctcr_id>
8348

> <supplier_cmpd_id>
.

> <smiles>
COc1ccc(cc1)C(=O)CC2(O)C(=O)Nc3c(Cl)ccc(Cl)c23

> <pd_targets>
{EWS-FLI1,ERG,ETV1,EWSR1,FLI1}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{EWSR1,FLI1}

> <broad_moa>
{"apoptosis inhibitor"}

> <synonyms>
{K427,YK-4-279,YK4279,1037184-44-3,1037184443,"YK 4-279","YK 4279","4,7-dichloro-3-hydroxy-3-(2-(4-methoxyphenyl)-2-oxoethyl)-1H-indol-2-one","4,7dichloro3hydroxy3(2(4methoxyphenyl)2oxoethyl)1Hindol2o
ne","4,7-dichloro-3-hydroxy-3-(2-(4-methoxyphenyl)-2-oxoethyl)indolin-2-one","4,7dichloro3hydroxy3(2(4methoxyphenyl)2oxoethyl)indolin2one",CHEMBL2011500,C17H13Cl2NO4,MLS006010813,SCHEMBL3486735,CHEBI:
9430,T2275,4067}

> <pdid>
PD003602

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{44632017}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 28 31  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -3.9069    5.2492    0.0000 N   0  0
   -5.2089    5.9957    0.0000 C   0  0
   -5.3543    7.4758    0.0000 C   0  0
   -6.8231    7.7802    0.0000 C   0  0
   -7.4401    9.1474    0.0000 C   0  0
   -7.5665    6.4774    0.0000 N   0  0
   -6.5572    5.3678    0.0000 N   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4939    0.7411    0.0000 C   0  0
   -6.4894   -0.7597    0.0000 C   0  0
   -7.7864   -1.5148    0.0000 C   0  0
   -7.7841   -3.0149    0.0000 C   0  0
   -9.0819   -3.7670    0.0000 C   0  0
  -10.3821   -3.0191    0.0000 C   0  0
  -10.3846   -1.5191    0.0000 C   0  0
   -9.0867   -0.7670    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 12  2  0
 10 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 19 28  2  0
 28  8  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25648

> <plate>
PLATE 001

> <well>
E11

> <supplier_cmpd_name>
ENMD-2076

> <ctcr_id>
7085

> <supplier_cmpd_id>
.

> <smiles>
CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(\C=C\c4ccccc4)n2

> <pd_targets>
{RET,CSF1R,AURKB,SRC,FLT3,PTK2,ABL1,KDR,AURKA,PDGFRA,KIT,FGFR1,FGFR3,MAP2K1,TBK1,PLK4,MAP4K4,LRRK2,LIMK1,CHEK1,NTRK1,MINK1,IRAK1,PRKCG,BTK,NTRK3,PRKAA1,RPS6KB1,HIPK2,DYRK1B,ROS1,PAK4,PTK6,NTRK2,FLT1,I
NSR,EPHA2,IKBKE,MAP2K2,MAP4K2,SLK,MAP4K5,STK3,GSK3A,GSK3B,FER,SYK,MST1R,TNK2,PDGFRB,TAOK1,TYK2,DAPK3,BLK,PAK1,JAK2,FRK,LCK,CLK4,CDK7,PDPK1,BRSK1,RPS6KA3,STK17A,MARK3,ITK,ACVR1,JAK3,HIPK4,IRAK4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","STE protein kinase group","TKL protein kinase group","CAMK protein kinase group","AGC protein kinase group","CMG
C protein kinase group","Tyrosine protein kinase Ret family","Tyrosine protein kinase PDGFR family","Other protein kinase AUR family","Tyrosine protein kinase Src family","Tyrosine protein kinase Fak 
family","Tyrosine protein kinase Abl family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase FGFR family","STE protein kinase STE7 family","Other protein kinase IKK family","Other prot
ein kinase PLK family","STE protein kinase STE20 family","TKL protein kinase LRRK family","TKL protein kinase LISK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Trk family","TKL 
protein kinase IRAK family","AGC protein kinase PKC family","Tyrosine protein kinase Tec family","AGC protein kinase RSK family","CMGC protein kinase DYRK family","Tyrosine protein kinase Sev family",
"Tyrosine protein kinase InsR family","Tyrosine protein kinase Eph family","CMGC protein kinase GSK family","Tyrosine protein kinase Fer family","Tyrosine protein kinase Syk family","Tyrosine protein 
kinase Met family","Tyrosine protein kinase Ack family","Tyrosine protein kinase JakA family","CAMK protein kinase DAPK family","CMGC protein kinase CLK family","CMGC protein kinase CDK family","AGC p
rotein kinase PDK1 subfamily","TKL protein kinase STKR family","STE protein kinase MSN subfamily","TKL protein kinase LIMK subfamily","CAMK protein kinase CHK1 subfamily","AGC protein kinase PKC alpha
 subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase p70 subfamily","CMGC protein kinase HIPK subfamily","CMGC protein kinase Dyrk1 subfamily","STE protein kinase PAKB subfamily","STE 
protein kinase KHS subfamily","STE protein kinase SLK subfamily","STE protein kinase MST subfamily","STE protein kinase TAO subfamily","STE protein kinase PAKA subfamily","CMGC protein kinase CDK7 sub
family","CAMK protein kinase BRSK subfamily","AGC protein kinase RSK subfamily","CAMK protein kinase MARK subfamily","TKL protein kinase STKR1"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kina
ses","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TK: Tyrosine kinase","Other protein kinases","STE7 family","STE20 family","TKL: Tyrosine kinase-like","CA
MK-like (CAMKL) family","Protein kinase C (PKC) family","RSK family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Glycogen synthase kinase (GSK) family","Death-assoc
iated kinase (DAPK) family","CLK family","Cyclin-dependent kinase (CDK) family","PDK1 family","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) family","Non-receptor tyrosine kinases (nRTKs)","I
KK family","Polo-like kinase (PLK) family","MSN subfamily","Leucine-rich repeat kinase (LRRK) family","LIM domain kinase (LISK) family","CHK1 subfamily","Interleukin-1 receptor-associated kinase (IRAK
) family","Alpha subfamily","AMPK subfamily","p70 subfamily","HIPK subfamily","Dyrk1 subfamily","PAKB subfamily","KHS subfamily","SLK subfamily","MST subfamily","GSK subfamily","TAO subfamily","PAKA s
ubfamily","CDK7 subfamily","BRSK subfamily","RSK subfamily","MARK subfamily","Receptor serine/threonine kinase (RSTK) family","Type XIV RTKs: RET","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family
","Src family","Fak family","Abl family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","LIMK subfamily","Type 
VII RTKs: Neurotrophin receptor/Trk family","Tec family","Type XVII RTKs: ROS receptors","Type II RTKs: Insulin receptor family","Type XIII RTKs: Ephrin receptor family","Fer family","Syk family","Typ
e X RTKs: HGF (hepatocyte growth factor) receptor family","Ack family","Janus kinase (JakA) family","Type I receptor serine/threonine kinases"}

> <pathway_reactome>
{"Developmental Biology","Gene expression (Transcription)","Cell Cycle","Signal Transduction",Disease,"Immune System","Cellular responses to external stimuli","DNA Repair","Neuronal System","Programme
d Cell Death","Nervous system development","RNA Polymerase II Transcription",Mitotic,"Signaling by Receptor Tyrosine Kinases","Infectious disease","Diseases of signal transduction by growth factor rec
eptors and second messengers","Innate Immune System","Cellular responses to stress","Signaling by Non-Receptor Tyrosine Kinases","DNA Double-Strand Break Repair","Transmission across Chemical Synapses
","MTOR signalling","Intracellular signaling by second messengers","Signaling by Hippo","Cytokine Signaling in Immune system",Apoptosis,"Adaptive Immune System","Axon guidance","Generic Transcription 
Pathway","M Phase","Signaling by NTRKs","Signaling by Insulin receptor","Leishmania infection","Signaling by VEGF","Signaling by PDGFR in disease","Signaling by KIT in disease","Signaling by FGFR in d
isease","Toll-like Receptor Cascades","Mitotic G2-G2/M phases","Cellular Senescence","Signaling by PTK6","Homology Directed Repair","Neurotransmitter receptors and postsynaptic signal transmission","m
TORC1-mediated signalling","Mitotic G1 phase and G1/S transition","PIP3 activates AKT signaling","SARS-CoV Infections","Signaling by SCF-KIT","Signaling by MST1","Interferon Signaling","Caspase activa
tion via extrinsic apoptotic signalling pathway","HIV Infection","Oncogenic MAPK signaling","TCR signaling","Signaling by Interleukins","RET signaling","Transcriptional Regulation by VENTX","Mitotic M
etaphase and Anaphase","Signaling by NTRK1 (TRKA)","Insulin receptor signalling cascade","Parasite infection","VEGFA-VEGFR2 Pathway","Transcriptional Regulation by TP53","Drug resistance of PDGFR muta
nts","Drug resistance of KIT mutants","Signaling by FGFR1 in disease","Signaling by FGFR3 in disease","Toll Like Receptor 4 (TLR4) Cascade","G2/M Transition","Oxidative Stress Induced Senescence","PTK
6 promotes HIF1A stabilization","Semaphorin interactions","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Toll Like Receptor 5 (TLR5) Cascade","Glutamate binding","activ
ation of AMPA receptors and synaptic plasticity","Signaling by NTRK3 (TRKC)","Signaling by ROBO receptors","G1 Phase","VEGF ligand-receptor interactions","Negative regulation of the PI3K/AKT network",
"EPH-Ephrin signaling","SARS-CoV-1 Infection","Leishmania parasite growth and survival","Interferon alpha/beta signaling","Caspase activation via Dependence Receptors in the absence of ligand","Transc
riptional regulation by RUNX1","PTEN Regulation","Host Interactions of HIV factors","HIV Life Cycle","Signaling by RAS mutants","Generation of second messenger molecules","Interleukin-2 family signali
ng","Toll Like Receptor 2 (TLR2) Cascade","Mitotic Anaphase","Signalling to ERKs","IRS-mediated signalling","Leishmania phagocytosis","VEGFR2 mediated cell proliferation","Regulation of TP53 Activity"
,"Imatinib-resistant PDGFR mutants","Dasatinib-resistant KIT mutants","FGFR1 mutant receptor activation","Signaling by FGFR3 point mutants in cancer","MyD88-independent TLR4 cascade","Centrosome matur
ation","Sema4D in semaphorin signaling","HDR through Homologous Recombination (HRR)","MyD88 cascade initiated on plasma membrane","Trafficking of AMPA receptors","Activated NTRK3 signals through PI3K"
,"Activation of RAC1","Cyclin D associated events in G1","Activation of TRKA receptors","VEGF binds to VEGFR leading to receptor dimerization",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","EPHA-me
diated growth cone collapse","SARS-CoV-1 Genome Replication and Transcription","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of IFNA signaling","RUNX1 regulates tran
scription of genes involved in BCR signaling","EPHB-mediated forward signaling","Regulation of PTEN stability and activity","The role of Nef in HIV-1 replication and disease pathogenesis","Late Phase 
of HIV Life Cycle","Signaling downstream of RAS mutants","Interleukin-15 signaling","Toll Like Receptor TLR6:TLR2 Cascade","Separation of Sister Chromatids","Signalling to RAS","PI3K Cascade","FCGR3A-
mediated phagocytosis","Regulation of TP53 Activity through Phosphorylation","Signaling by activated point mutants of FGFR1","FGFR3 mutant receptor activation","Prolonged ERK activation events","TRIF(
TICAM1)-mediated TLR4 signaling","Loss of proteins required for interphase microtubule organization from the centrosome","Sema4D induced cell migration and growth-cone collapse","Homologous DNA Pairin
g and Strand Exchange","MAP kinase activation","Trafficking of GluR2-containing AMPA receptors","NGF-independant TRKA activation","Replication of the SARS-CoV-1 genome","FCGR3A-mediated IL10 synthesis
","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Transcription of the HIV genome","Regulation of TP53 Expression and Degradation","MyD88:MAL(TIRAP) c
ascade initiated on plasma membrane","p38MAPK events","Signaling by activated point mutants of FGFR3","Frs2-mediated activation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Loss of Nlp fro
m mitotic centrosomes","Presynaptic phase of homologous DNA pairing and strand exchange","ARMS-mediated activation","activated TAK1 mediates p38 MAPK activation","Nef Mediated CD4 Down-regulation","HI
V Transcription Elongation","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","Tat-mediated elongation of the HIV-1 transcript","CREB phosphorylation","Formation 
of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ENMD-2076,ENMD2076,934353-76-1,934353761,"ENMD 2076",ENMD-981693,ENMD981693,UNII-J6U9WP10T7,UNIIJ6U9WP10T7,CHEMBL482968,J6U9WP10T7,"934353-76-1 (free base)","934353761 (free base)",ENND-2076,ENND2076
,1291074-87-7,1291074877,cc-471,cc471,MLS006011042,SCHEMBL596481,GTPL7885,SCHEMBL10122872,SCHEMBL15668060,DTXSID60239430,EX-A235,EXA235,AOB8715,T2358,S1181}

> <pdid>
PD011101

> <targets>
{Flt,VEGFR,"Aurora Kinase"}

> <classes>
{}

> <pubchem_cids>
{16041424}

$$$$
TargetMol_L9000_Apoptosis 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_L9000_Apoptosis Compound Library

> <id>
25649

> <plate>
PLATE 001

> <well>
F2

> <supplier_cmpd_name>
Ro 3306

> <ctcr_id>
7670

> <supplier_cmpd_id>
.

> <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_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 22 24  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    2.5987    1.5004    0.0000 C   0  0
    2.6012    3.0005    0.0000 C   0  0
    3.9014    3.7484    0.0000 C   0  0
    5.1993    2.9963    0.0000 C   0  0
    6.4995    3.7443    0.0000 O   0  0
    5.1969    1.4963    0.0000 C   0  0
    6.4947    0.7443    0.0000 O   0  0
    3.8967    0.7484    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  5  1  0
 12 13  1  0
 13  2  1  0
 13 14  2  0
  3 15  1  6
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 22 15  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25650

> <plate>
PLATE 001

> <well>
F3

> <supplier_cmpd_name>
Taxifolin

> <ctcr_id>
2491

> <supplier_cmpd_id>
.

> <smiles>
O[C@@H]1[C@H](Oc2cc(O)c(O)cc2C1=O)c3ccc(O)c(O)c3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Quercetin, dihydro-","Quercetin, dihydro",MLS002607971,CHEMBL1969772,ZINC1668761,"2-(3,6,7-trihydroxy-chroman-4-one","2(3,6,7trihydroxychroman4one",NSC36398,"NSC 36398",TAXIFOLIN}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{54603556}

$$$$
TargetMol_L9000_Apoptosis 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_L9000_Apoptosis Compound Library

> <id>
25651

> <plate>
PLATE 001

> <well>
F4

> <supplier_cmpd_name>
Fasudil hydrochloride

> <ctcr_id>
4951

> <supplier_cmpd_id>
.

> <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_L9000_Apoptosis 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_L9000_Apoptosis Compound Library

> <id>
25652

> <plate>
PLATE 001

> <well>
F5

> <supplier_cmpd_name>
Fedratinib

> <ctcr_id>
2863

> <supplier_cmpd_id>
.

> <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_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 19 21  0  0  0  0            999 V2000
    1.0161   -3.6157    0.0000 O   0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 S   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
    0.0000    2.7767    0.0000 C   0  0
    1.1393    3.7252    0.0000 O   0  0
    0.5656    5.1112    0.0000 C   0  0
   -0.9298    4.9939    0.0000 C   0  0
   -1.2803    3.5354    0.0000 C   0  0
    1.3500    6.3906    0.0000 C   0  0
    2.8171    6.6037    0.0000 S   0  0
    3.0525    8.0851    0.0000 C   0  0
    4.3863    8.7675    0.0000 C   0  0
    4.4634   10.2655    0.0000 O   0  0
    1.7163    8.7668    0.0000 C   0  0
    0.6551    7.7066    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  3  2  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  8  2  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 15 18  2  0
 18 19  1  0
 19 13  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25653

> <plate>
PLATE 001

> <well>
F6

> <supplier_cmpd_name>
RITA

> <ctcr_id>
5350

> <supplier_cmpd_id>
.

> <smiles>
OCc1sc(cc1)c2oc(cc2)c3sc(CO)cc3

> <pd_targets>
{HPGD,ALDH1A1,KMT2A,MEN1,RORC,GLA,MAPT}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor","Other cytosolic protein",Oxidoreductase,Reader,"Nuclear receptor",Hydrolase,Protease,Bromodomain,"Nuclear hormone receptor subfamily 1","Cysteine
 protease","Nuclear hormone receptor subfamily 1 group F","Cysteine protease CA clan","Nuclear hormone receptor subfamily 1 group F member 3","Cysteine protease C1A family"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","Nuclear hormone receptors","Prostaglandin synthases","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Neuronal System","Metabolism of lipids","Biological oxidations","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Biosynthesis o
f specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Generic Transcription Pathway","Sphingolipid metabolism","Neurotransmitter receptors and postsynaptic signal tr
ansmission","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Transcriptional regulation by RUNX3","Glycosphingolipid metabolism","Activation of NMDA receptors and postsynaptic events","Biosynth
esis of D-series resolvins","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA receptor activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{MDM2}

> <broad_moa>
{"MDM inhibitor"}

> <synonyms>
{RITA,213261-59-7,213261597,"NSC 652287","RITA (NSC 652287)","p53 Activator III, RITA","5,5'-(2,5-Furandiyl)bis-2-thiophenemethanol","5,5'(2,5Furandiyl)bis2thiophenemethanol","SOS BISMETHANOL","(5,5'-
(furan-2,5-diyl)bis(thiophene-5,2-diyl))dimethanol","(5,5'(furan2,5diyl)bis(thiophene5,2diyl))dimethanol",(5-(5-(5-(hydroxymethyl)thiophen-2-yl)furan,(5(5(5(hydroxymethyl)thiophen2yl)furan,T1798,2443,
NSC652287}

> <pdid>
PD003583

> <targets>
{Autophagy,DNA Alkylator/Crosslinker,MDM-2/p53}

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

> <pubchem_cids>
{374536}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 17 18  0  0  0  0            999 V2000
   -1.2989    0.7502    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
    2.6000   -1.5000    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
    6.3136    1.0035    0.0000 O   0  0
    5.7031    2.3737    0.0000 C   0  0
    6.4526    3.6729    0.0000 O   0  0
    4.2113    2.2164    0.0000 C   0  0
    3.2073    3.3308    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    3.9000   -3.7500    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  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
 14  8  1  0
 14 15  1  0
 15 16  1  0
 16  2  1  0
  6 17  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25654

> <plate>
PLATE 001

> <well>
F7

> <supplier_cmpd_name>
Costunolide

> <ctcr_id>
6441

> <supplier_cmpd_id>
.

> <smiles>
CC1=CCCC(=CC2OC(=O)C(=C)C2CC1)C

> <pd_targets>
{MYB,TERT,TAS2R46,MURA,RORC,KMT2A,MEN1,RECQL}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Unclassified protein","Epigenetic regulator",Transferase,"Nuclear receptor",Reader,"Nuclear hormone receptor subfamily 1",Bromodomain,"Nuclear hormone receptor subfamil
y 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Nuclear hormone receptors","Orphan and other 7TM receptors","1F. Retinoic acid-related orphans","Taste 2 receptors"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction","Gene expression (Transcription)","Chromosome Maintenance","Signaling by GPCR","RNA Polymerase II Transcription","Telomere Maintenance","GPCR downstream signalling"
,"Generic Transcription Pathway","Extension of Telomeres","G alpha (i) signalling events","Transcriptional regulation by RUNX3","Telomere Extension By Telomerase","RUNX3 Regulates Immune Response and 
Cell Migration"}

> <broad_targets>
{}

> <broad_moa>
{"telomerase inhibitor"}

> <synonyms>
{Costunolide,553-21-9,553219,"(+)-Costunolide; Costus lactone","(+)Costunolide; Costus lactone","6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca(b)furan-2-one","6,10dimethyl3methylene3a,4,
5,8,9,11ahexahydrocyclodeca(b)furan2one",CHEMBL3193163,HMS3651I07,"6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca(b)furan-2-one","6,10dimethyl3methylidene3a,4,5,8,9,11ahexahydrocyclodec
a(b)furan2one",NCGC00167,T2902,S1319}

> <pdid>
PD011023

> <targets>
{Telomerase,Apoptosis,Endogenous Metabolite}

> <classes>
{DNA Damage,Apoptosis,Metabolic Enzyme/Protease}

> <pubchem_cids>
{556919}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 42 44  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0031    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8977   -3.7504    0.0000 C   0  0
   -5.1981   -3.0025    0.0000 C   0  0
   -5.2005   -1.5025    0.0000 C   0  0
   -6.4959   -3.7546    0.0000 C   0  0
   -6.4935   -5.2546    0.0000 C   0  0
   -7.7914   -6.0067    0.0000 C   0  0
   -9.0939   -5.2610    0.0000 C   0  0
  -10.3906   -6.0149    0.0000 C   0  0
   -9.0989   -3.7610    0.0000 C   0  0
   -7.7890   -7.5067    0.0000 C   0  0
   -9.0868   -8.2587    0.0000 O   0  0
   -6.4888   -8.2546    0.0000 C   0  0
   -6.4864   -9.7546    0.0000 O   0  0
   -5.1909   -7.5025    0.0000 C   0  0
   -3.8915   -8.2535    0.0000 C   0  0
   -3.8912   -9.7535    0.0000 O   0  0
   -5.1933   -6.0025    0.0000 C   0  0
   -3.8955   -5.2505    0.0000 C   0  0
   -2.5953   -5.9984    0.0000 O   0  0
    7.6990   -2.2511    0.0000 C   0  0
    7.6990   -3.7511    0.0000 C   0  0
    6.3997   -4.5007    0.0000 O   0  0
    8.9983   -4.5007    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19  4  1  0
 19 12  1  0
 15 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 25 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 33 34  1  0
 34 35  2  0
 33 36  1  0
 36 24  1  0
 36 37  2  0
 37 20  1  0
 37 38  1  0
 39 40  1  0
 40 41  1  0
 40 42  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25655

> <plate>
PLATE 001

> <well>
F8

> <supplier_cmpd_name>
Gossypol acetic acid

> <ctcr_id>
5765

> <supplier_cmpd_id>
.

> <smiles>
CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)c3c(C)cc4c(C(C)C)c(O)c(O)c(C=O)c4c3O.CC(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"OSSYPOLACETIC ACID COMPLE","Gossypol acetic acid","gossypol-Acetic acid","gossypolAcetic acid",12542-36-8,12542368,"Gossypol acetate","Acetate gossypol",866541-93-7,866541937,"Gossypol (acetic acid)
","(-)-Gossypol acetic acid","()Gossypol acetic acid","GOSSYPOL-ACETIC ACID COMPLEX","GOSSYPOLACETIC ACID COMPLEX",AT101,5453-04-3,5453043,"(S)-Gossypol (ace","(S)Gossypol (ace",T6396,T2730,1502099,"A
T101 acetate"}

> <pdid>

> <targets>
{}

> <classes>
{"male contraceptive"}

> <pubchem_cids>
{227456}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 33 36  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -5.2500    0.0000 C   0  0  2  0  0  0
   -2.4266   -6.2302    0.0000 C   0  0
   -1.8253   -7.6044    0.0000 C   0  0
   -0.3325   -7.4571    0.0000 C   0  0  1  0  0  0
    0.0000   -6.0000    0.0000 C   0  0  1  0  0  0
    1.2991   -5.2500    0.0000 C   0  0  1  0  0  0
    1.2991   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    1.2990   -2.2500    0.0000 C   0  0
    2.5981   -6.0000    0.0000 O   0  0
    0.6590   -8.5805    0.0000 C   0  0  2  0  0  0
    2.1292   -8.2827    0.0000 C   0  0
    0.1821  -10.0035    0.0000 C   0  0
    1.1752  -11.1287    0.0000 C   0  0
    0.6983  -12.5518    0.0000 C   0  0
    1.6915  -13.6770    0.0000 C   0  0
    1.2148  -15.0992    0.0000 C   0  0
    3.1616  -13.3791    0.0000 C   0  0
    1.6522   -9.7046    0.0000 O   0  0
   -2.2090   -4.8353    0.0000 C   0  0
   -2.1650   -4.2500    0.0000 C   0  0
   -2.5800   -0.0305    0.0000 C   0  0
   -1.2638    2.2496    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 12 11  1  1
 13 12  1  6
 13  9  1  0
 13 14  1  0
 14 15  1  0
 16 15  1  1
 16  8  1  0
 16 17  1  0
 17  1  1  0
 17  5  1  0
 17 18  1  1
 14 19  1  1
 12 20  1  0
 20 21  1  6
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  3
 25 26  1  0
 25 27  1  0
 20 28  1  0
  9 29  1  6
  8 30  1  1
  4 31  1  0
  4 32  1  0
  3 33  1  1
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25656

> <plate>
PLATE 001

> <well>
F9

> <supplier_cmpd_name>
(20S)-Protopanaxadiol

> <ctcr_id>
11423

> <supplier_cmpd_id>
.

> <smiles>
C1C[C@@H](C([C@@H]2CC[C@]3([C@@]4(CC[C@@H]([C@H]4[C@@H](C[C@@H]3[C@@]12C)O)[C@](C)(CCC=C(C)C)O)C)C)(C)C)O

> <pd_targets>
{PTPN1,SOAT1}

> <pathway_gtopdb>
{Enzyme,Phosphatase,Transferase,"Protein Phosphatase","Tyrosine protein phosphatase"}

> <pathway_chembl>
{Enzymes,Phosphatases,"Protein tyrosine phosphatases non-receptor type (PTPN)"}

> <pathway_reactome>
{"Gene expression (Transcription)","Transport of small molecules","RNA Polymerase II Transcription","Plasma lipoprotein assembly",remodeling,"and clearance","Generic Transcription Pathway","Plasma lip
oprotein clearance","Transcriptional Regulation by MECP2","LDL clearance","MECP2 regulates neuronal receptors and channels"}

> <broad_targets>
{PARP1}

> <broad_moa>
{"PARP inhibitor"}

> <synonyms>
{20S)PROTOPANAXADIO,(20S)-Protopanaxadiol,(20S)Protopanaxadiol,20-Epiprotopanaxadiol,20Epiprotopanaxadiol,30636-90-9,30636909,20(S)-protopanaxadiol,20(S)protopanaxadiol,Protopanaxadiol,20(S)-APPD,20(S
)APPD,UNII-MR8AEF5T1N,UNIIMR8AEF5T1N,MR8AEF5T1N,CHEMBL375563,CHEBI:75950,"dammar-24-ene-3beta,12beta,20-triol","dammar24ene3beta,12beta,20triol",(20S)-Protopanaxdiol,(20S)Protopanaxdiol,Dammar-24-ene-
3,Dammar24ene3,1,T2799,T3S1513,(20R)-Protopanaxdiol}

> <pdid>
PD011940

> <targets>
{Apoptosis inducer,Apoptosis,P-glycoprotein,Reactive Oxygen Species}

> <classes>
{Apoptosis,Immunology/Inflammation,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{11213350}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 33 37  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
   -2.5981    0.0000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0  1  0  0  0
   -6.4952   -2.2500    0.0000 C   0  0
   -6.4952   -3.7500    0.0000 C   0  0  2  0  0  0
   -7.7942   -3.0000    0.0000 C   0  0
   -9.0933   -3.7500    0.0000 C   0  0  1  0  0  0
   -9.0565   -2.2505    0.0000 C   0  0
   -9.0933   -5.2500    0.0000 C   0  0
   -7.7942   -6.0000    0.0000 C   0  0
   -6.4952   -5.2500    0.0000 C   0  0  1  0  0  0
   -6.4952   -6.7500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -4.5000    0.0000 C   0  0
  -10.3567   -4.5216    0.0000 C   0  0
  -11.6557   -3.7715    0.0000 O   0  0
  -10.3574   -6.0216    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  9  1  0
  9  2  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13  8  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  6
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 19  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 12  1  0
 29 17  1  0
 29 30  1  6
 21 31  1  0
 31 32  1  0
 31 33  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25657

> <plate>
PLATE 001

> <well>
F10

> <supplier_cmpd_name>
Celastrol

> <ctcr_id>
2540

> <supplier_cmpd_id>
.

> <smiles>
CC1=C(O)C(=O)C=C2C1=CC=C3[C@@]2(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@]34C)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{celastrol,Tripterin,34157-83-0,34157830,Tripterine,C29H38O4,UNII-L8GG98663L,UNIIL8GG98663L,NSC70931,CHEBI:63959,"34157-83-0 (castrol)","34157830 (castrol)",L8GG98663L,"Celastrol, Celastrus scandens",
MFCD03424073,SR-05000002679,SR05000002679,MLS002701906,"NSC 70931",3-Hydroxy-24-nor-2-oxo-1(10),3Hydroxy24nor2oxo1(10),3,5,7-fri,7fri,T3028,201664,Celastrol,CELASTROL}

> <pdid>
PD002171

> <targets>
{Apoptosis,Autophagy,Mitophagy,Proteasome}

> <classes>
{antiinflamatory,antineoplastic,NO synthesis inhibitor,chaperone stimulant,Apoptosis,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{122724}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 26 32  0  0  0  0            999 V2000
    5.3385    3.0022    0.0000 C   0  0
    4.3654    1.8606    0.0000 C   0  0
    4.8680    0.4473    0.0000 C   0  0
    2.9000    2.1200    0.0000 C   0  0
    3.1600    4.0800    0.0000 O   0  0
    1.5400    2.9300    0.0000 C   0  0
    0.2000    2.1200    0.0000 C   0  0
   -1.4400    2.1200    0.0000 O   0  0
    0.2000    0.5600    0.0000 C   0  0
   -1.1200   -0.1900    0.0000 C   0  0
   -1.1342    1.3099    0.0000 C   0  0
   -2.5000    0.5600    0.0000 C   0  0
   -3.8700   -0.1900    0.0000 C   0  0
   -3.8700   -1.8000    0.0000 C   0  0
   -2.5000   -2.5800    0.0000 C   0  0
   -2.7300   -3.8100    0.0000 C   0  0
   -4.1700   -3.9100    0.0000 O   0  0
   -4.8300   -2.6400    0.0000 C   0  0
   -6.3040   -2.3621    0.0000 O   0  0
   -1.1200   -1.8000    0.0000 C   0  0
    0.2000   -2.5800    0.0000 C   0  0
    1.5400   -1.8000    0.0000 C   0  0
    3.3900   -1.2200    0.0000 O   0  0
    1.5400   -0.1900    0.0000 C   0  0
    2.9000    0.5600    0.0000 C   0  0
    4.1916   -0.2027    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  4  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  7  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  1  0
 18 19  2  0
 15 20  1  0
 20 10  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24  9  1  0
 24 22  1  0
 24 25  1  0
 25  4  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25658

> <plate>
PLATE 001

> <well>
F11

> <supplier_cmpd_name>
Triptolide

> <ctcr_id>
3368

> <supplier_cmpd_id>
.

> <smiles>
CC(C)C12OC1C3OC34C5(C)CCC6=C(COC6=O)C5CC7OC47C2O

> <pd_targets>
{RORC,DCTPP1,PTGS2,LMNA,F2RL1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Other nuclear protein","Membrane receptor","Nuclear receptor",Hydrolase,Oxidoreductase,"Family A G protein-coupled receptor","Nuclear hormone receptor subfamily 1","Pep
tide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Protease-activated receptor","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Eicosanoid turnover","G protein-coupled receptors","1F. Retinoic acid-related orphans",Cyclooxygenase,"Proteinase-activated receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Cell Cycle","Signal Transduction","RNA Polymerase II Transcription","Metabolism of nucleotides","Metabolism of lipids",Mitotic,"Signaling by GPCR","Gener
ic Transcription Pathway","Interconversion of nucleotide di- and triphosphates","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","GPCR ligand binding","Transcriptional regulation 
by RUNX3","Biosynthesis of DPA-derived SPMs","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs",
"Mitotic Anaphase","Peptide ligand-binding receptors","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{RELA}

> <broad_moa>
{"RNA polymerase inhibitor"}

> <synonyms>
{874832,38748-32-2,38748322,LS-14791,LS14791,S3604,Triptolide}

> <pdid>
PD000121

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5589}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 32 36  0  0  0  0            999 V2000
   -2.1274   -3.7878    0.0000 C   0  0
   -0.6566   -4.0826    0.0000 C   0  0
   -0.1770   -5.5038    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.6423   -0.0862    0.0000 C   0  0
    3.8914   -0.9168    0.0000 O   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990    1.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    0.0000    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -7.7942    1.5000    0.0000 C   0  0
   -7.7942    3.0000    0.0000 C   0  0
   -9.0933    3.7500    0.0000 O   0  0
   -6.4952    3.7500    0.0000 C   0  0
   -5.1788    4.4691    0.0000 C   0  0
   -7.8115    4.4693    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.7321    2.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 27 18  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 12  1  0
 30 17  1  0
 30 31  1  0
 14 32  1  0
 32  4  1  0
 32  7  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25659

> <plate>
PLATE 001

> <well>
G2

> <supplier_cmpd_name>
Betulin

> <ctcr_id>
977

> <supplier_cmpd_id>
.

> <smiles>
CC(=C)C1CCC2(CO)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12

> <pd_targets>
{TOP2A,PYGM,RELA}

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

> <pathway_chembl>
{Enzymes,"DNA topoisomerases"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Immune System",Mitotic,"Metabolism of carbohydrates","Innate Immune System","Mitotic G1 phase and G1/S transition","Glycogen metabolism","Toll-like Receptor Cascades","G0 and
 Early G1","Glycogen breakdown (glycogenolysis)","Toll Like Receptor 5 (TLR5) Cascade","Transcription of E2F targets under negative control by DREAM complex","MyD88 cascade initiated on plasma membran
e","TAK1 activates NFkB by phosphorylation and activation of IKKs complex"}

> <broad_targets>
{PYGM}

> <broad_moa>
{"ACAT inhibitor","sterol regulatory element binding protein (SREBP) inhibitor"}

> <synonyms>
{"Lup-20(29)-ene-3,28-diol","Lup20(29)ene3,28diol","Lup-20(29)-ene-3.beta.,28-diol","Lup20(29)ene3.beta.,28diol","Lup-20(30)-ene-3.beta.,28-diol","Lup20(30)ene3.beta.,28diol","Betulinic alcohol",NSC46
44,"Lup-20(30)-ene-3beta,28-diol","Lup20(30)ene3beta,28diol",NSC692218,"(3beta)-lup-20(29)-ene-3,28-diol","(3beta)lup20(29)ene3,28diol","Betulinol (obsol.)",Lup-20(29)-ene-3,Lup20(29)ene3,28-diol,28di
ol,T3121,"NSC 4644",Betulin,Betulol}

> <pdid>
PD001571

> <targets>
{Apoptosis,Endogenous Metabolite,Fatty Acid Synthase (FASN)}

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

> <pubchem_cids>
{221023}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 31 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 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 N   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
   -1.3040   -9.7511    0.0000 C   0  0
   -0.0032  -10.4997    0.0000 N   0  0
   -0.0001  -12.0006    0.0000 C   0  0
    1.3007  -12.7491    0.0000 C   0  0
    1.3038  -14.2500    0.0000 N   0  0
    2.6046  -14.9985    0.0000 C   0  0
    2.6076  -16.4985    0.0000 O   0  0
    3.9023  -14.2463    0.0000 C   0  0
   -3.9074   -8.2480    0.0000 O   0  0
   -5.2053   -7.4961    0.0000 C   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    3.8943    3.7525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  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  2  0
 21 23  1  0
 12 24  1  0
 24 25  1  0
  3 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25660

> <plate>
PLATE 001

> <well>
G3

> <supplier_cmpd_name>
PD1-PDL1 inhibitor 2

> <ctcr_id>
11924

> <supplier_cmpd_id>
.

> <smiles>
Cc1c(cccc1COc1nc(c(cc1)CNCCNC(=O)C)OC)c1ccccc1

> <pd_targets>
{CD274,PDCD1,CNR2,CNR1}

> <pathway_gtopdb>
{"Surface antigen","Unclassified protein","Membrane receptor","Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Lipid-like ligand receptor (family A GPCR)","Cannabinoid 
receptor"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Cannabinoid receptors"}

> <pathway_reactome>
{"Immune System","Signal Transduction","Adaptive Immune System","Signaling by GPCR","Costimulation by the CD28 family","GPCR downstream signalling","PD-1 signaling","G alpha (i) signalling events"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"D1PDL1 INHIBITOR",1675203-84-5,1675203845,BMS-202,BMS202,"PD1-PDL1 inhibitor 2","PD1PDL1 inhibitor 2","PD-1/PD-L1 inhibitor 2","PD1/PDL1 inhibitor 2","PD-L1 inhibitor 1","PDL1 inhibitor 1","BMS202 (
PD-1/PD-L1 inhibitor 2)","BMS202 (PD1/PDL1 inhibitor 2)",GTPL9607,CHEMBL4089730,SCHEMBL16566296,AMY42226,BCP16068,EX-A1330,EXA1330,MFCD29905455,s7912,ZINC306122895,CCG-,CCG,T3146}

> <pdid>
PD017014

> <targets>
{PD-1/PD-L1,Apoptosis}

> <classes>
{Apoptosis,Cell Cycle/Checkpoint,Immunology/Inflammation}

> <pubchem_cids>
{117951478}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 33 33  0  0  0  0            999 V2000
   11.6690  -17.2800    0.0000 C   0  0
   10.3716  -16.5273    0.0000 O   0  0
   10.3737  -15.0265    0.0000 C   0  0
   11.6740  -14.2788    0.0000 O   0  0
    9.0755  -14.2734    0.0000 C   0  0
    9.0776  -12.7726    0.0000 C   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
    5.1830  -10.5134    0.0000 C   0  0
    6.4855   -8.2648    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 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 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
    6.4889   -5.2601    0.0000 C   0  0
    6.4894   -3.7601    0.0000 C   0  0
    7.7880   -6.0101    0.0000 C   0  0
   10.3771  -12.0218    0.0000 C   0  0
   11.6762  -12.7718    0.0000 O   0  0
   10.3776  -10.5210    0.0000 C   0  0
   11.6764   -9.7705    0.0000 F   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  2  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 15 27  1  0
 27 28  1  0
 27 29  1  0
  6 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25661

> <plate>
PLATE 001

> <well>
G4

> <supplier_cmpd_name>
Z-VAD(OMe)-FMK

> <ctcr_id>
1412

> <supplier_cmpd_id>
.

> <smiles>
COC(=O)CC(NC(=O)C(C)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)C(=O)CF

> <pd_targets>
{CASP3,CAPN9}

> <pathway_gtopdb>
{Enzyme,Protease,Hydrolase,"Cysteine protease","Cysteine protease CD clan","Cysteine protease C14 family","Cysteine protease C14A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","CD: Cysteine (C) Peptidases","C14: Caspase"}

> <pathway_reactome>
{"Programmed Cell Death","Extracellular matrix organization",Apoptosis,"Degradation of the extracellular matrix","Intrinsic Pathway for Apoptosis","Apoptotic factor-mediated response","Cytochrome c-me
diated apoptotic response","Activation of caspases through apoptosome-mediated cleavage"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{VADFM,z-vad-FMK,zvadFMK,MFCD02684037,211918-97-7,211918977,HMS3652F16,BCP07127,AKOS032960280,AK175664,DA-43423,DA43423,SY068305,T6013,S7023,Z-VAD(OMe)-FMK,Z-VAD-FMK}

> <pdid>
PD010650

> <targets>
{Caspase}

> <classes>
{Apoptosis}

> <pubchem_cids>
{5737}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 29 31  0  0  0  0            999 V2000
    6.8067   -6.0878    0.0000 C   0  0
    5.5290   -6.8737    0.0000 O   0  0
    4.2107   -6.1619    0.0000 C   0  0
    4.0146   -4.6747    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8242   -5.7201    0.0000 N   0  0
    2.8570   -6.8080    0.0000 C   0  0
    2.5812   -8.2806    0.0000 C   0  0
    1.1659   -8.7799    0.0000 C   0  0
   -0.0469   -7.9190    0.0000 N   0  0
   -1.2399   -8.8283    0.0000 C   0  0
   -2.6768   -8.3976    0.0000 C   0  0
   -0.7438  -10.2439    0.0000 C   0  0
    0.7558  -10.2095    0.0000 C   0  0
    1.6721  -11.3971    0.0000 C   0  0
   10.6074   -3.4488    0.0000 C   0  0
   10.6074   -4.9488    0.0000 S   0  0
    9.3081   -5.6984    0.0000 O   0  0
   11.9066   -5.6984    0.0000 O   0  0
   10.6074   -6.4488    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13  8  1  0
 13 14  2  3
 14  6  1  0
  5 15  1  0
 15 16  1  0
 16  3  1  0
 16 17  2  3
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 18  2  0
 23 24  1  0
 25 26  1  0
 26 27  2  0
 26 28  2  0
 26 29  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25662

> <plate>
PLATE 001

> <well>
G5

> <supplier_cmpd_name>
Obatoclax Mesylate

> <ctcr_id>
3668

> <supplier_cmpd_id>
.

> <smiles>
COC1=CC(=C2C=C3C=CC=CC3=N2)NC1=Cc4[nH]c(C)cc4C.CS(=O)(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Obatoclax mesylate",803712-79-0,803712790,"803712 79 0","BCl-2 Inhibitor GX15-070","BCl2 Inhibitor GX15070","BCl 2 Inhibitor GX15 070","Obatoclax (GX15-070)","Obatoclax (GX15070)","Obatoclax (GX15 0
70)",HMS3654E13,HMS3746M11,BCP01829,ANW-53674,ANW53674,OBATOCLAX}

> <pdid>
PD030207

> <targets>
{"BCL2 FAMILY"}

> <classes>
{}

> <pubchem_cids>
{70700268}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 27 29  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 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -5.1984    1.4977    0.0000 S   0  0
   -6.4971    0.7455    0.0000 C   0  0
   -7.7984    1.4932    0.0000 C   0  0
   -9.0964    0.7413    0.0000 O   0  0
   -7.8010    2.9932    0.0000 O   0  0
   -2.6012   -3.0008    0.0000 N   0  0
   -3.9020   -3.7494    0.0000 S   0  0
   -5.1997   -2.9972    0.0000 O   0  0
   -3.8996   -2.2494    0.0000 O   0  0
   -3.9051   -5.2502    0.0000 C   0  0
   -2.6076   -6.0029    0.0000 C   0  0
   -2.6106   -7.5029    0.0000 C   0  0
   -3.9112   -8.2502    0.0000 C   0  0
   -5.2087   -7.4976    0.0000 C   0  0
   -5.2056   -5.9976    0.0000 C   0  0
   -3.9143   -9.7502    0.0000 Br  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
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
  7 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  2  0
 18 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 24 27  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25663

> <plate>
PLATE 001

> <well>
G6

> <supplier_cmpd_name>
UMI-77

> <ctcr_id>
11949

> <supplier_cmpd_id>
.

> <smiles>
c1ccc2c(c1)c(cc(c2O)SCC(=O)O)NS(=O)(=O)c1ccc(cc1)Br

> <pd_targets>
{POLB,NSD2,KMT2A,MEN1,FFP,MEX-5,PYK,BCL2L1,BCL2A1,MCL1,GCN5,RECA,BCL2,RTT109,EP300,POS-1,DNAB,TGR,KEAP1,NFE2L2,BLM,CFTR,GOPC,BCL2L2,ALD,TDP2}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor","Ion channel","Unclassified protein","Other cytosolic protein",Writer,Reader,Transferase,"Other ion channel",Phosphodiesterase,"Protein methyltran
sferase",Bromodomain,"Miscellaneous ion channel","Histone acetyltransferase","Chloride channel","SET domain","Bcl-2 family","p300/CBP family","Cystic fibrosis transmembrane conductance regulator"}

> <pathway_chembl>
{"Other protein targets","B-cell lymphoma 2 (Bcl-2) protein family","Bromodomain-containing proteins","Transcription factors","Non-enzymatic BRD containing proteins","Basic leucine zipper domain TFs"}

> <pathway_reactome>
{"DNA Repair",Disease,"Immune System","Gene expression (Transcription)","Base Excision Repair","DNA Double-Strand Break Repair","Diseases of signal transduction by growth factor receptors and second m
essengers","Cytokine Signaling in Immune system","Innate Immune System","RNA Polymerase II Transcription","Resolution of Abasic Sites (AP sites)","Homology Directed Repair","FLT3 signaling in disease"
,"Signaling by Interleukins","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling pathways","Generic Transcription Pathway","Nonhomologous End-Joining (NHEJ)","Resoluti
on of AP sites via the multiple-nucleotide patch replacement pathway","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Signaling by FLT3 ITD and TKD mutants","Interleukin
-4 and Interleukin-13 signaling",Inflammasomes,"Transcriptional Regulation by TP53","PCNA-Dependent Long Patch Base Excision Repair","Processing of DNA double-strand break ends","STAT5 activation down
stream of FLT3 ITD mutants","The NLRP1 inflammasome","Regulation of TP53 Activity","HDR through Homologous Recombination (HRR)","Regulation of TP53 Activity through Acetylation","Homologous DNA Pairin
g and Strand Exchange","PI5P Regulates TP53 Acetylation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MI7,UMI-77,UMI77,518303-20-3,518303203,C18H14BrNO5S2,MLS001196198,SMR000558497,"((4-(((4-bromophenyl)sulfonyl)amino)-1-hydroxy-2-naphthyl)thio)acetic acid","((4(((4bromophenyl)sulfonyl)amino)1hydroxy
2naphthyl)thio)acetic acid",cid_992586,cid992586,cid-992586,"cid 992586",GTPL8105,CHEMBL1331211,SCHEMBL14842934,BDBM53290,AOB6936,EX-A762,EXA762,HMS3748M13,BCP09696,ZINC414995,T6034}

> <pdid>
PD016960

> <targets>
{Mcl-1}

> <classes>
{Apoptosis}

> <pubchem_cids>
{992586}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 30 32  0  0  0  0            999 V2000
    5.1919    1.5058    0.0000 Cl  0  0
    6.4933    0.7599    0.0000 C   0  0
    6.4883    2.2599    0.0000 Cl  0  0
    7.7897    1.5144    0.0000 Cl  0  0
    6.4990   -0.7409    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    9.0990   -0.7364    0.0000 C   0  0
    9.0964    0.7636    0.0000 O   0  0
   10.4003   -1.4841    0.0000 C   0  0
   11.6990   -0.7319    0.0000 C   0  0
   13.0002   -1.4796    0.0000 C   0  0
   14.2993   -0.7296    0.0000 C   0  0
   15.5984   -1.4796    0.0000 C   0  0
   15.5984   -2.9796    0.0000 C   0  0
   14.2994   -3.7296    0.0000 C   0  0
   13.0004   -2.9797    0.0000 C   0  0
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 S   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
  5 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 21  1  0
 30 25  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25664

> <plate>
PLATE 001

> <well>
G7

> <supplier_cmpd_name>
Salubrinal

> <ctcr_id>
1887

> <supplier_cmpd_id>
.

> <smiles>
ClC(Cl)(Cl)C(NC(=O)C=Cc1ccccc1)NC(=S)Nc2cccc3cccnc23

> <pd_targets>
{MAPT,HPGD,KMT2A,MEN1}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Epigenetic regulator",Reader,Protease,Bromodomain,"Cysteine protease","Cysteine protease CA clan","Cysteine protease C1A family"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Prostaglandin synthases"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Transmission across Chemical Synapses","Metabolism of lipids","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving
 mediators (SPMs)","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Post NMDA receptor activation events","Biosynthesis of D-series resolvins","Activation of 
AMPK downstream of NMDARs"}

> <broad_targets>
{EIF2S1}

> <broad_moa>
{"eukaryotic translation initiation factor inhibitor"}

> <synonyms>
{CBDivE_007039,CBDivE007039,CBDivE-007039,"CBDivE 007039",HMS3268P04,HMS3651H12,AKOS026750638,MCULE-8609977550,MCULE8609977550,AK468720,Q27163670,T3045,S2923,Salubrinal}

> <pdid>
PD010513

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{2830510}

$$$$
TargetMol_L9000_Apoptosis 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  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.8256    0.9670    0.0000 O   0  0
   -3.1375    2.4342    0.0000 C   0  0  1  0  0  0
   -4.2511    3.4361    0.0000 C   0  0
   -3.6410    4.8064    0.0000 C   0  0
   -4.2392    6.1763    0.0000 C   0  0
   -5.7305    6.3383    0.0000 C   0  0
   -6.3358    7.7107    0.0000 C   0  0
   -5.4499    8.9212    0.0000 C   0  0  1  0  0  0
   -6.0552   10.2936    0.0000 C   0  0
   -5.1693   11.5040    0.0000 C   0  0  1  0  0  0
   -5.7746   12.8765    0.0000 O   0  0
   -3.6781   11.3421    0.0000 C   0  0
   -3.0727    9.9696    0.0000 C   0  0
   -3.9586    8.7592    0.0000 C   0  0  1  0  0  0
   -2.4674    8.5972    0.0000 C   0  0
   -3.3533    7.3867    0.0000 C   0  0
   -1.8621    7.2247    0.0000 C   0  0
   -1.2567    5.8523    0.0000 C   0  0
   -2.1493    4.6496    0.0000 C   0  0  1  0  0  0
   -0.6837    4.3300    0.0000 C   0  0
   -1.8384    3.1842    0.0000 C   0  0  1  0  0  0
   -0.7237    2.1806    0.0000 C   0  0  2  0  0  0
    0.7376    2.5192    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  9  8  1  1
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 15 14  1  1
 15 16  1  0
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 15  1  0
 21 22  1  1
 21 23  1  0
 23 12  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 11  1  0
 26 27  1  1
 28 26  1  1
 28  9  1  0
 28 29  1  0
 29  5  1  0
 29 30  1  6
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25665

> <plate>
PLATE 001

> <well>
G8

> <supplier_cmpd_name>
Sarsasapogenin

> <ctcr_id>
4132

> <supplier_cmpd_id>
.

> <smiles>
C[C@@H]1CC[C@@]2(OC1)O[C@H]3CC4C5CC[C@H]6C[C@@H](O)CC[C@]6(C)C5CC[C@]4(C)[C@H]3[C@@H]2C

> <pd_targets>
{SLCO1B1,SLCO1B3}

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

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

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

> <broad_targets>
{}

> <broad_moa>
{"neurotrophic agent"}

> <synonyms>
{Spectrum_000778,Spectrum000778,Spectrum-000778,"Spectrum 000778",SpecPlus_000243,SpecPlus000243,SpecPlus-000243,"SpecPlus 000243",Spectrum2_000277,Spectrum2000277,Spectrum2-000277,"Spectrum2 000277",
Spectrum3_000071,Spectrum3000071,Spectrum3-000071,"Spectrum3 000071",Spectrum4_001353,Spectrum4001353,Spectrum4-001353,"Spectrum4 001353",Spectrum5_000285,Spectrum5000285,Spectrum5-000285,"Spectrum5 0
00285",BSPBio_001881,BSPBio001881,BSPBio-001881,"BSPBio 001881",KBioGR_001905,KBioGR001905,KBioGR-001905,"KBioGR 001905",KBioSS_001258,KBioSS001258,KBioSS-001258,"KBioSS 001258",SPECTRUM100315,DivK1c_
006339,DivK1c006339,DivK1c-006339,"DivK1c 006339",SPBio_000154,SPBio000154,SPBio-000154,"SPBio 000154",KBio1_001283,KBio1001283,KBio1-001283,"KBio1 001283",KBio2_001258,KBio2001258,KBio2-001258,"KBio2
 001258",KBio2_003826,KBio2003826,KBio2-003826,"KBio2 003826",KBio2_006394,KBio2006394,KBio2-006394,"KBio2 006394",KBio3_001,KBio3001,KBio3-001,"KBio3 001",T2733,T3S0895,100315,Sarsasapogenin,Spirosta
n-3-ol,TIGOGENIN}

> <pdid>
PD000431

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6708615}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 14 15  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    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 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  1  0
  7  2  1  0
  7  8  2  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_L9000_Apoptosis Compound Library

> <id>
25666

> <plate>
PLATE 001

> <well>
G9

> <supplier_cmpd_name>
Amrinone

> <ctcr_id>
3457

> <supplier_cmpd_id>
.

> <smiles>
NC1=CC(=CNC1=O)c2ccncc2

> <pd_targets>
{KMT2A,MEN1,THRB,KDM4E,RORC,FFP,PLIN5,CYP2D6,CYP2C9,PDE3A,HTT,MAPT,CYP3A4,AMPC,PDE3B,TTK,PDE4A,PDE4B,PDE4C,PDE4D,RECQL,ALDH1A1,ALOX12,CASP1,AURKB,INCENP,HSD17B10,HIF1A,TGR,ALD,CYP2C19,HPGD,GLA,BLM,CYP
1A2,ALOX15,LMNA,TNF}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor",Enzyme,"Unclassified protein","Other cytosolic protein","Other nuclear protein","Secreted protein",Reader,"Nuclear receptor",Eraser,Transferase,"Cytochro
me P450",Phosphodiesterase,Hydrolase,Kinase,Oxidoreductase,Protease,Bromodomain,"Nuclear hormone receptor subfamily 1","Lysine demethylase","Cytochrome P450 family 2","Phosphodiesterase 3","Cytochrome
 P450 family 3","Protein Kinase","Phosphodiesterase 4","Cysteine protease","Cytochrome P450 family 1","Nuclear hormone receptor subfamily 1 group A","Jumonji domain-containing","Nuclear hormone recept
or subfamily 1 group F","Cytochrome P450 family 2D","Cytochrome P450 family 2C","Phosphodiesterase 3A","Cytochrome P450 family 3A","Other protein kinase group","Phosphodiesterase 4A","Cysteine proteas
e CD clan","Phosphodiesterase 3B","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 1 group A member 2","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2D6","Cyt
ochrome P450 2C9","Cytochrome P450 3A4","Other protein kinase TTK family","Cysteine protease C14 family","Other protein kinase AUR family","Cytochrome P450 2C19","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Chromatin modifying enzymes","Cytochrome P450","Cyclic nucleotide turnover/signalling","Catalytic receptors","Eicosanoid turnover","Peptidases and prote
inases","1A. Thyroid hormone receptors","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","CYP2 family: drug metabolising subset",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)"
,"CYP3 family","Receptor kinases",Lipoxygenases,"CD: Cysteine (C) Peptidases","Prostaglandin synthases","CYP1 family","Other protein kinases","C14: Caspase","TTK family"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)",Metabolism,"Signal Transduction","Neuronal System","Cellular responses to external stimuli","DNA Repair","Cell Cycle","Immune System","Post-
translational protein modification","RNA Polymerase II Transcription","Biological oxidations","Signaling by GPCR","Transmission across Chemical Synapses","Metabolism of lipids","Metabolism of amino ac
ids and derivatives","Cellular responses to stress","Signaling by Receptor Tyrosine Kinases","DNA Double-Strand Break Repair",Mitotic,"Cytokine Signaling in Immune system",SUMOylation,"Generic Transcr
iption Pathway","Phase I - Functionalization of compounds","GPCR downstream signalling","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving medi
ators (SPMs)","Branched-chain amino acid catabolism","Cellular response to hypoxia","Signaling by Insulin receptor","Sphingolipid metabolism","Homology Directed Repair","M Phase","Signaling by Interle
ukins","SUMO E3 ligases SUMOylate target proteins","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged by substrate type","G alpha (s) signalling events","Transcriptional Regulation by M
ECP2","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Biosynthesis of DPA-derived SPMs","Transcriptional Regulation by TP53","Oxygen-depe
ndent proline hydroxylation of Hypoxia-inducible Factor Alpha","Insulin receptor signalling cascade","Glycosphingolipid metabolism","HDR through Homologous Recombination (HRR) or Single Strand Anneali
ng (SSA)","Mitotic Metaphase and Anaphase","Interleukin-10 signaling","SUMOylation of intracellular receptors","RUNX3 Regulates Immune Response and Cell Migration",Xenobiotics,"Regulation of MECP2 exp
ression and activity","Post NMDA receptor activation events","Biosynthesis of maresins","Biosynthesis of DPAn-3 SPMs","TP53 Regulates Transcription of Cell Death Genes","IRS-mediated signalling","Bios
ynthesis of D-series resolvins","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","CYP2E1 reactions","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","Biosyn
thesis of DPAn-3-derived maresins","TP53 Regulates Transcription of Caspase Activators and Caspases","PI3K Cascade","Homologous DNA Pairing and Strand Exchange","Aromatic amines can be N-hydroxylated 
or N-dealkylated by CYP1A2","Biosynthesis of DPAn-3-derived protectins and resolvins","Nuclear Envelope (NE) Reassembly","PKB-mediated events","Presynaptic phase of homologous DNA pairing and strand e
xchange","Initiation of Nuclear Envelope (NE) Reformation","PDE3B signalling"}

> <broad_targets>
{PDE3A,PDE3B,PDE4B,TNF}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{"RESTW 80",Amrinone,inamrinone,60719-84-8,60719848,"60719 84 8",Inocor,Wincoram,Cordemcura,Cartonic,"5-Amino-(3,4'-bipyridin)-6(1H)-one","5Amino(3,4'bipyridin)6(1H)one","5 Amino (3,4' bipyridin) 6(1H
) one","Amrinonum (INN-Latin)","Amrinonum (INNLatin)","Amrinonum (INN Latin)","Amrinona (INN-Spanish)","Amrinona (INNSpanish)","Amrinona (INN Spanish)",3-Amino-5-(4-pyridinyl)-2(1H)-pyridinone,3Amino5
(4pyridinyl)2(1H)pyridinone,"3 Amino 5 (4 pyridinyl) 2(1H) pyridinone",3-amino-5-pyridin-4-yl-1H-pyridin-2-one,3amino5pyridin4yl1Hpyridin2one,"3 amino 5 pyridin 4 yl 1H pyridin 2 one","WIN 40680",T126
5,1503084,Prestw-800,AMRINONE}

> <pdid>
PD001084

> <targets>
{Phosphodiesterase (PDE)}

> <classes>
{cardiac stimulant,Metabolic Enzyme/Protease}

> <pubchem_cids>
{3698}

$$$$
TargetMol_L9000_Apoptosis 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_L9000_Apoptosis Compound Library

> <id>
25667

> <plate>
PLATE 001

> <well>
G10

> <supplier_cmpd_name>
Paclitaxel

> <ctcr_id>
4999

> <supplier_cmpd_id>
.

> <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_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 32 34  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -5.2112    5.9836    0.0000 N   0  0
   -6.5072    5.2269    0.0000 C   0  0
   -6.4994    3.7269    0.0000 O   0  0
   -7.8111    5.9701    0.0000 N   0  0
   -9.1072    5.2134    0.0000 C   0  0
  -10.4114    5.9543    0.0000 C   0  0
  -11.7053    5.1953    0.0000 C   0  0
  -11.6949    3.6953    0.0000 C   0  0
  -12.9887    2.9364    0.0000 Cl  0  0
  -10.3907    2.9543    0.0000 C   0  0
   -9.0969    3.7133    0.0000 C   0  0
  -10.3803    1.4536    0.0000 C   0  0
  -11.6736    0.6938    0.0000 F   0  0
   -9.0759    0.7130    0.0000 F   0  0
  -10.3692   -0.0464    0.0000 F   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 12 28  1  0
 28 29  2  0
 29  9  1  0
  7 30  2  0
 30 31  1  0
 31 32  2  0
 32  5  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25668

> <plate>
PLATE 001

> <well>
G11

> <supplier_cmpd_name>
Sorafenib tosylate

> <ctcr_id>
6031

> <supplier_cmpd_id>
.

> <smiles>
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1

> <pd_targets>
{EPHA6,RAF1,MKNK2,EPHA5,FLT4,FLT3,MAPK12,HTR7,BRAF,CSF1R,CDK17,CDK14,AURKA,AXL,CAMK2B,RET,FGR,MAP2K5,ARAF,KDR,CDK8,KIT,MAPK14,FRK,EPHA8,ABL2,EPHA4,SLK,FGFR1,RIPK2,NTRK1,STK36,LCK,MAPK13,STK33,TNNI3K,D
DR2,LYN,AURKC,TAOK3,PDGFRB,MYLK3,ABL1,STK10,CLK1,TTK,MAPK15,CIT,TEK,HTR6,CDK7,SRMS,MINK1,KMT2A,MEN1,FGFR2,EPHA2,FGFR3,TAOK1,CDK19,DDR1,EPHB4,FLT1,MYLK2,CDK2,HIPK2,MAPK11,EPHA7,MAP4K5,LIMK1,MAPK9,HIPK4
,EPHA3,MKNK1,SRPK1,TNK1,AURKB,CDKL2,CDKL3,HIPK1,CCNC,MAPK1,EGFR,TGFBR2,HTR2B,CDK5,MAP3K20,MAP4K4,PDGFRA,TIE1,RPS6KA6,FYN,EPHB1,EPHB2,NTRK2,TNIK,NTRK3,MUSK,HIPK3,EPHA1,IRAK1,RORC,MERTK,EPHB6,NLK,MAPK3,
DYRK3,CDK3,NTSR1,RPS6KB1,PLK2,MAP3K7,LIMK2,HCK,HTR2C,CDK15,HTR2A,EPHX2,PLK4,MAP4K1,CDPK1,HTR5A,MYO3B,ABCB11,CSNK1A1,MAP3K19,MET,TAOK2,CSK,JAK3,BLK,RIPK1,CCNA2,HTR1A,SRC,GSK3B,INSR,CA7,CYP19A1,MAP2K1,R
IPK3,PAX8,LMP1,MC4R}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Epigenetic regulator","Transcription factor","Unclassified protein",Transporter,Kinase,"Family A G protein-coupled receptor",Reader,"Nuclear receptor",Protease,"Primary ac
tive transporter",Lyase,"Cytochrome P450","Protein Kinase","Small molecule receptor (family A GPCR)",Bromodomain,"Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Serine prote
ase","ATP-binding cassette","Cytochrome P450 family 19","TK protein kinase group","TKL protein kinase group","CAMK protein kinase group","CMGC protein kinase group","Monoamine receptor","Other protein
 kinase group","STE protein kinase group","AGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Serine protease SC clan","ABCB subfamily",
"CK1 protein kinase group","Cytochrome P450 family 19A","Tyrosine protein kinase Eph family","TKL protein kinase RAF family","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase VEGFR family"
,"Tyrosine protein kinase PDGFR family","CMGC protein kinase MAPK family","Serotonin receptor","CMGC protein kinase CDK family","Other protein kinase AUR family","Tyrosine protein kinase Axl family","
CAMK protein kinase CAMK2 family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Src family","STE protein kinase STE7 family","Tyrosine protein kinase Abl family","STE protein kinase ST
E20 family","Tyrosine protein kinase FGFR family","TKL protein kinase RIPK family","Tyrosine protein kinase Trk family","Other protein kinase ULK family","CAMK protein kinase unique family","TKL prote
in kinase MLK family","Tyrosine protein kinase DDR family","CAMK protein kinase MLCK family","CMGC protein kinase CLK family","Other protein kinase TTK family","AGC protein kinase DMPK family","Tyrosi
ne protein kinase Tie family","CMGC protein kinase DYRK family","TKL protein kinase LISK family","CMGC protein kinase SRPK family","Tyrosine protein kinase Ack family","CMGC protein kinase CDKL family
","Tyrosine protein kinase EGFR family","TKL protein kinase STKR family","AGC protein kinase RSK family","Tyrosine protein kinase Musk family","TKL protein kinase IRAK family","Nuclear hormone recepto
r subfamily 1 group F member 3","Neurotensin receptor","Other protein kinase PLK family","Serine protease S33 family","CK1 protein kinase CK1 family","STE protein kinase STE11 family","Tyrosine protei
n kinase Met family","Tyrosine protein kinase Csk family","Tyrosine protein kinase JakA family","CMGC protein kinase GSK family","Tyrosine protein kinase InsR family","Cytochrome P450 19A1","Melanocor
tin receptor","CAMK protein kinase MNK subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase PCTAIRE","CMGC protein kinase PFTAIRE","CMGC protein kinase CDK8 subfamily","STE protein kina
se SLK subfamily","TKL protein kinase HH498 subfamily","STE protein kinase TAO subfamily","AGC protein kinase CRIK subfamily","CMGC protein kinase CDK7 subfamily","Tyrosine protein kinase Srm","STE pr
otein kinase MSN subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase KHS subfamily","TKL protein kinase LIMK subfamily","CMGC protein kinase JNK su
bfamily","CMGC protein kinase ERK1","TKL protein kinase STKR Type 2 subfamily","CMGC protein kinase CDK5 subfamily","TKL protein kinase MLK subfamily","AGC protein kinase RSK subfamily","Tyrosine prot
ein kinase SrcA","CMGC protein kinase nmo subfamily","CMGC protein kinase Dyrk2 subfamily","AGC protein kinase p70 subfamily","Other protein kinase PLK2","TKL protein kinase TAK1 subfamily","STE prote
in kinase NinaC subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Nuclear hormone receptors",Hydrolases,"ATP-binding cassette transporter family","Carbonic an
hydrases","Cytochrome P450","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","5-Hydroxytryptamine receptors","STE: Homologs of ye
ast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","1F. Retinoic acid-related orphans","Neurotensin receptors","ABCB subfamily","CK1: Casein kinase 1",CYP11,CYP1
7,CYP19,"CYP20 and CYP21 families","Melanocortin receptors","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","MAPK-Activated Protein Kinase (MAPKAPK) family","Mitogen-activated protein kinases (MAP k
inases)","Cyclin-dependent kinase (CDK) family","Other protein kinases","CAMK2 family","STE7 family","STE20 family","CAMK-unique family","Myosin Light Chain Kinase (MLCK) family","CLK family","DMPK fa
mily","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","SRPK family","Cyclin-dependent kinase-like (CDKL) family","RSK family","Casein kinase 1 (CK1) family","Glycogen sy
nthase kinase (GSK) family","Receptor tyrosine kinases (RTKs)","RAF family","MKN subfamily","p38 subfamily","TAIRE subfamily","Aurora kinase (Aur) family","Non-receptor tyrosine kinases (nRTKs)","CDK8
 subfamily","SLK subfamily","Receptor interacting protein kinase (RIPK) family","Unc-51-like kinase (ULK) family","Mixed Lineage Kinase (MLK) family","TAO subfamily","TTK family","Erk7 subfamily","Oth
er DMPK family kinases","CDK7 subfamily","MSN subfamily","CDK1 subfamily","HIPK subfamily","KHS subfamily","LIM domain kinase (LISK) family","JNK subfamily","ERK subfamily","Receptor serine/threonine 
kinase (RSTK) family","CDK5 subfamily","RSK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","nmo subfamily","Dyrk2 subfamily","p70 subfamily","Polo-like kinase (PLK) family","NinaC
 subfamily","STE20 subfamily","GSK subfamily","Type XIII RTKs: Ephrin receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 r
eceptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XIV RTKs: RET","Src family","Abl family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type VII RT
Ks: Neurotrophin receptor/Trk family","HH498 subfamily","Type XVI RTKs: DDR (collagen receptor) family","Type XII RTKs: TIE family of angiopoietin receptors","LIMK subfamily","Ack family","Type I RTKs
: ErbB (epidermal growth factor) receptor family","Type II receptor serine/threonine kinases","MLK subfamily","Type IX RTKs: MuSK","TAK1 subfamily","Type X RTKs: HGF (hepatocyte growth factor) recepto
r family","Csk family","Janus kinase (JakA) family","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction",Disease,"Gene expression (Transcription)","Neuronal System","Immune System","Extracellular matrix organization","Cellular responses to external stimuli",
"Cell Cycle",Metabolism,Hemostasis,"Nervous system development","MAPK family signaling cascades","Signaling by Receptor Tyrosine Kinases","Infectious disease","RNA Polymerase II Transcription","Transm
ission across Chemical Synapses","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","Intracellular signaling by second messengers","Non-integrin 
membrane-ECM interactions","Signaling by Rho GTPases","Signaling by Non-Receptor Tyrosine Kinases","Cellular responses to stress",Mitotic,"Metabolism of lipids","Signaling by GPCR","ECM proteoglycans"
,"Cell surface interactions at the vascular wall","Signaling by WNT","MTOR signalling","Cytokine Signaling in Immune system","Reversible hydration of carbon dioxide","Biological oxidations","Axon guid
ance","MAPK1/MAPK3 signaling","Signaling by VEGF","Signaling by Insulin receptor","Signaling by NTRKs","Leishmania infection","Generic Transcription Pathway","Neurotransmitter receptors and postsynapt
ic signal transmission","Oncogenic MAPK signaling","Signaling by NOTCH1 in Cancer","Signaling by KIT in disease","Toll-like Receptor Cascades","PIP3 activates AKT signaling","Signaling by FGFR in dise
ase","HIV Infection","Neutrophil degranulation","RHO GTPase Effectors","Signaling by PTK6","Cellular Senescence","M Phase","Regulation of lipid metabolism by PPARalpha","Signaling by FGFR","GPCR downs
tream signalling","Signaling by TGF-beta Receptor Complex in Cancer","GPCR ligand binding","Signaling by PDGFR in disease","Beta-catenin independent WNT signaling","mTORC1-mediated signalling","Biosyn
thesis of specialized proresolving mediators (SPMs)","Mitotic G2-G2/M phases","Metabolism of steroids","Signaling by WNT in cancer","Signaling by Interleukins","SARS-CoV Infections","Phase I - Functio
nalization of compounds","EPH-Ephrin signaling","RAF/MAP kinase cascade","VEGF ligand-receptor interactions","Insulin receptor signalling cascade","Signaling by NTRK1 (TRKA)","Leishmania parasite grow
th and survival","Transcriptional Regulation by VENTX","Transcriptional Regulation by TP53","VEGFA-VEGFR2 Pathway","Activation of NMDA receptors and postsynaptic events","RET signaling","Signaling by 
RAS mutants","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Drug resistance of KIT mutants","Toll Like Receptor 5 (TLR5) Cascade","PTEN Regulation","Signaling by ROBO receptors","Signaling by
 FGFR1 in disease","Host Interactions of HIV factors","Negative regulation of the PI3K/AKT network","Parasite infection","RHO GTPases activate CIT","HIV Life Cycle","PTK6 Down-Regulation","Oxidative S
tress Induced Senescence","Signaling by FGFR2 in disease","Signaling by FGFR3 in disease","Mitotic Metaphase and Anaphase","PPARA activates gene expression","Semaphorin interactions","Signaling by FGF
R4","G alpha (q) signalling events","Loss of Function of SMAD2/3 in Cancer","Class A/1 (Rhodopsin-like receptors)","Drug resistance of PDGFR mutants","Signaling by NTRK3 (TRKC)","Transcriptional regul
ation by RUNX3","Ca2+ pathway","Toll Like Receptor 4 (TLR4) Cascade","Biosynthesis of DHA-derived SPMs","G2/M Transition","Bile acid and bile salt metabolism","Signaling by AMER1 mutants","Interleukin
-2 family signaling","Transcriptional regulation by RUNX1","SARS-CoV-1 Infection","Cytochrome P450 - arranged by substrate type","EPHA-mediated growth cone collapse","Negative regulation of MAPK pathw
ay","VEGF binds to VEGFR leading to receptor dimerization","IRS-mediated signalling","Signalling to ERKs","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of TP53 Activ
ity","Post NMDA receptor activation events","Signalling to ERK5","Signaling downstream of RAS mutants","VEGFR2 mediated cell proliferation","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","D
asatinib-resistant KIT mutants","MyD88 cascade initiated on plasma membrane","Regulation of PTEN stability and activity","Role of ABL in ROBO-SLIT signaling","FGFR1 mutant receptor activation","The ro
le of Nef in HIV-1 replication and disease pathogenesis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Leishmania phagocytosis","Late Phase of HIV Life Cycle","FGFR2 mutant receptor activation","S
ignaling by FGFR3 point mutants in cancer","Mitotic Anaphase","EPHB-mediated forward signaling","Sema4D in semaphorin signaling","Negative regulation of FGFR4 signaling","Gastrin-CREB signalling pathw
ay via PKC and MAPK","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Amine ligand-binding receptors","Imatinib-resistant PDGFR mutants","Activation of TRKA receptors","Activated NTRK3 signals throu
gh PI3K","RUNX3 Regulates Immune Response and Cell Migration","Peptide ligand-binding receptors","MyD88-independent TLR4 cascade","Biosynthesis of maresins","Centrosome maturation","Synthesis of bile 
acids and bile salts","Truncations of AMER1 destabilize the destruction complex","Interleukin-15 signaling","RUNX1 regulates transcription of genes involved in BCR signaling","SARS-CoV-1 Genome Replic
ation and Transcription","Endogenous sterols","Negative feedback regulation of MAPK pathway","PI3K Cascade","Signalling to RAS","ADORA2B mediated anti-inflammatory cytokines production","Prolonged ERK
 activation events","Regulation of TP53 Activity through Phosphorylation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","FCGR3A-mediated IL10 synthesis","MAP kinas
e activation","Signaling by activated point mutants of FGFR1","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated phagocytosis","Transcrip
tion of the HIV genome","Activated point mutants of FGFR2","FGFR3 mutant receptor activation","Separation of Sister Chromatids","Regulation of TP53 Expression and Degradation","Sema4D induced cell mig
ration and growth-cone collapse","Spry regulation of FGF signaling","EGFR Transactivation by Gastrin","Serotonin receptors","Nef and signal transduction","NGF-independant TRKA activation","CD163 media
ting an anti-inflammatory response","TRIF(TICAM1)-mediated TLR4 signaling","Loss of proteins required for interphase microtubule organization from the centrosome","Synthesis of bile acids and bile sal
ts via 7alpha-hydroxycholesterol","Sema4D mediated inhibition of cell attachment and migration","Replication of the SARS-CoV-1 genome","p38MAPK events","ARMS-mediated activation","Ras activation upon 
Ca2+ influx through NMDA receptor","MAPK targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","Nef Mediated CD4 Down-regulation","HIV Transcription Elongation
","Signaling by activated point mutants of FGFR3","Regulation of TP53 Degradation","RSK activation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Loss of Nlp from mitotic centrosomes
","IKK complex recruitment mediated by RIP1","Activation of the AP-1 family of transcription factors","Tat-mediated elongation of the HIV-1 transcript","ERK/MAPK targets","Formation of HIV-1 elongatio
n complex containing HIV-1 Tat","ERKs are inactivated"}

> <broad_targets>
{BRAF,DDR2,FGFR1,FLT1,FLT3,FLT4,KDR,KIT,PDGFRB,RAF1,RET}

> <broad_moa>
{"FLT3 inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor","RAF inhibitor","RET tyrosine kinase inhibitor","VEGFR inhibitor"}

> <synonyms>
{"AY 43900",Sorafenib,284461-73-0,284461730,Nexavar,"BAY 43-9006","BAY 439006",UNII-9ZOQ3TZI87,UNII9ZOQ3TZI87,"Sorafenib free base","284461-73-0 (free base)","284461730 (free base)",100012-18-8,100012
188,BAY-43-9006,BAY439006,9ZOQ3TZI87,CHEMBL1336,DTXSID7041128,CHEBI:50924,MFCD06411450,"Sorafenib (Nexavar)","Donafenib (Sorafenib D3)",T0093L,747971,10009644,S7397,"NSC 747971",sorafenib,"Sorafenib T
osylate",SORAFENIB,"Sorafenib tosylate"}

> <pdid>
PD003493

> <targets>
{B-Raf,PDGFR,Raf,RAF,KIT,VEGFR2/3,Apoptosis,Autophagy,Ferroptosis,FLT3,VEGFR}

> <classes>
{Raf/PDGF/VEGFR inhibitor,Apoptosis,Autophagy,MAPK/ERK Pathway,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{216239}

$$$$
TargetMol_L9000_Apoptosis 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_L9000_Apoptosis Compound Library

> <id>
25669

> <plate>
PLATE 001

> <well>
H2

> <supplier_cmpd_name>
Fludarabine

> <ctcr_id>
4220

> <supplier_cmpd_id>
.

> <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_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 16 17  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    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
   -5.2526    1.3618    0.0000 C   0  0
   -5.5608    2.8298    0.0000 O   0  0
   -6.2524    0.2436    0.0000 N   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -6.1032   -2.4253    0.0000 S   0  0
   -4.0317   -0.7359    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 10  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25670

> <plate>
PLATE 001

> <well>
H3

> <supplier_cmpd_name>
10058-F4

> <ctcr_id>
11926

> <supplier_cmpd_id>
.

> <smiles>
CCc1ccc(cc1)/C=C\1/C(=O)NC(=S)S1

> <pd_targets>
{RAB9A,NPC1,MYC,MAX}

> <pathway_gtopdb>
{Enzyme,Transporter,"Unclassified protein",Hydrolase}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC65 NPC-type cholesterol transporters"}

> <pathway_reactome>
{"Signal Transduction","Transport of small molecules","Cell Cycle","Signaling by Rho GTPases","Plasma lipoprotein assembly",remodeling,"and clearance",Mitotic,"Rho GTPase cycle","Plasma lipoprotein cl
earance","Mitotic G1 phase and G1/S transition","RHOBTB GTPase Cycle","LDL clearance","G0 and Early G1","RHOBTB3 ATPase cycle","Transcription of E2F targets under negative control by DREAM complex"}

> <broad_targets>
{}

> <broad_moa>
{"c-Myc inhibitor"}

> <synonyms>
{0058F,CHEMBL443375,"(5Z)-5-(4-ethylbenzylidene)-2-sulfanyl-1,3-thiazol-4(5H)-one","(5Z)5(4ethylbenzylidene)2sulfanyl1,3thiazol4(5H)one",MLS006011554,SCHEMBL346693,SCHEMBL346694,BBL017128,BDBM50520739
,STK441291,ZINC12406716,"(5Z)-5-((4-ethylphenyl)methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one","(5Z)5((4ethylphenyl)methylidene)2sulfanylidene1,3thiazolidin4one",AKOS001,T3048,10058-F4}

> <pdid>
PD002802

> <targets>
{c-Myc-MAX}

> <classes>
{"Cell Cycle/Checkpoint"}

> <pubchem_cids>
{1271003}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 36 40  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
   -2.5987    1.5004    0.0000 N   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -1.6199    3.9799    0.0000 O   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.8211    4.6570    0.0000 C   0  0
   -6.3142    4.8094    0.0000 C   0  0
   -7.0490    6.1024    0.0000 O   0  0
   -8.5146    5.7831    0.0000 C   0  0
   -8.6639    4.2905    0.0000 C   0  0
   -7.2904    3.6874    0.0000 C   0  0
   -9.6350    6.7816    0.0000 C   0  0
   -9.4418    8.2641    0.0000 C   0  0
  -10.6335    9.1750    0.0000 C   0  0
  -12.0182    8.5984    0.0000 C   0  0
  -12.2113    7.1108    0.0000 C   0  0
  -11.0195    6.1999    0.0000 C   0  0
  -13.2125    9.5074    0.0000 N   0  3
  -13.0221   10.9952    0.0000 O   0  5
  -14.5964    8.9288    0.0000 O   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 C   0  0
   -4.2501   -0.5931    0.0000 C   0  0
   -3.2134   -1.6699    0.0000 C   0  0
   -3.6300   -3.1109    0.0000 C   0  0
   -5.0862   -3.4707    0.0000 C   0  0
   -6.1259   -2.3894    0.0000 C   0  0
   -5.7093   -0.9484    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  2  0
 11 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 15  2  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
 23 26  1  0
 26 27  1  0
 26 28  2  0
 13 29  1  0
 29 30  2  3
 30 10  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
M  CHG  2  26   1  27  -1
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25671

> <plate>
PLATE 001

> <well>
H4

> <supplier_cmpd_name>
4E1rcat

> <ctcr_id>
7903

> <supplier_cmpd_id>
.

> <smiles>
OC(=O)c1ccc(cc1)N2C(=O)C(=Cc3oc(cc3)c4ccc(cc4)[N+]([O-])=O)C=C2c5ccccc5

> <pd_targets>
{APBA1,CACNA1B,TGR,MAPT,MCL1,KMT2A,MEN1,NPSR1,CCR6,LACZ,FFP,MAPK1,PYK,DNAB,THRB,PKM,RECQL,EIF4G1,ALDH1A1,POLB,AMPC,ENV,GPR55,REP}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Other cytosolic protein","Epigenetic regulator","Membrane receptor","Transcription factor","Surface antigen","Voltage-gated ion channel",Reader,"Family A G protein-coupled recep
tor",Hydrolase,Transferase,Kinase,"Nuclear receptor",Oxidoreductase,"Voltage-gated calcium channel",Bromodomain,"Peptide receptor (family A GPCR)","Protein Kinase","Nuclear hormone receptor subfamily 
1","Small molecule receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Chemokine receptor","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group A","Lipid-like ligand
 receptor (family A GPCR)","Neuropeptide receptor","CC chemokine receptor","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group A member 2","Lysophosphatidylinositol receptor"
,"CMGC protein kinase ERK1"}

> <pathway_chembl>
{"Other protein targets",Receptors,Enzymes,"Ion channels","B-cell lymphoma 2 (Bcl-2) protein family","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Chromatin modifyi
ng enzymes","Voltage-gated ion channels","2.7.1.40 Pyruvate kinases","Anti-infective targets","Neuropeptide S receptor","Chemokine receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1A. Thyro
id hormone receptors","2.1.1.43 Histone methyltransferases (HMTs)","Voltage-gated calcium channels","Orphan and other 7TM receptors","Viral protein targets","Mitogen-activated protein kinases (MAP kin
ases)","Class A Orphans","Coronavirus (CoV) proteins","ERK subfamily"}

> <pathway_reactome>
{"Neuronal System","Immune System",Disease,"Signal Transduction","Metabolism of proteins","Gene expression (Transcription)",Metabolism,"DNA Repair","Transmission across Chemical Synapses","Cytokine Si
gnaling in Immune system","Infectious disease","Signaling by GPCR","Innate Immune System","Post-translational protein modification","RNA Polymerase II Transcription","Metabolism of carbohydrates",Tran
slation,"Biological oxidations","Base Excision Repair","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by Interleukins","Leishmania infection","GPCR ligand binding","Toll-
like Receptor Cascades",SUMOylation,"Generic Transcription Pathway","Presynaptic depolarization and calcium channel opening","Glucose metabolism","Eukaryotic Translation Initiation","Phase I - Functio
nalization of compounds","Resolution of Abasic Sites (AP sites)","GPCR downstream signalling","SARS-CoV Infections","Activation of NMDA receptors and postsynaptic events","Interleukin-4 and Interleuki
n-13 signaling","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Toll Like Receptor 5 (TLR5) Cascade","SUMO E3 ligases SUMOylate target proteins","Transcriptional regu
lation by RUNX1",Glycolysis,"Cap-dependent Translation Initiation","Ethanol oxidation","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","G alpha (i) signalling events","S
ARS-CoV-2 Infection","Post NMDA receptor activation events","Anti-inflammatory response favouring Leishmania parasite infection","Peptide ligand-binding receptors","MyD88 cascade initiated on plasma m
embrane","SUMOylation of intracellular receptors","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Activation of the mRNA upon binding of the cap-binding comple
x and eIFs","and subsequent binding to 43S","PCNA-Dependent Long Patch Base Excision Repair","SARS-CoV-2 Genome Replication and Transcription","Activation of AMPK downstream of NMDARs","ADORA2B mediat
ed anti-inflammatory cytokines production","Chemokine receptors bind chemokines","MAP kinase activation","Translation initiation complex formation","Replication of the SARS-CoV-2 genome","MAPK targets
/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{EIF4E,EIF4G1}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{4E1RCat,328998-25-0,328998250,ChemDiv1_020405,ChemDiv1020405,ChemDiv1-020405,"ChemDiv1 020405",HMS3653K18,BCP14974,AKOS026750190,MCULE-5193578367,MCULE5193578367,AK547745,FT-0700291,FT0700291,SW21977
7-1,SW2197771,T1742,S7370,4E1rcat}

> <pdid>
PD012757

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6617612}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 18 20  0  0  0  0            999 V2000
   -0.6810   -9.3430    0.0000 C   0  0
   -0.2222   -7.9149    0.0000 N   0  0
   -1.1079   -6.7042    0.0000 C   0  0
   -2.6079   -6.7003    0.0000 O   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.1979   -5.9466    0.0000 N   0  0
    1.2028   -7.4466    0.0000 C   0  0
    2.4192   -8.3243    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  7  1  0
 15 10  1  0
  5 16  1  0
 16 17  1  0
 17  2  1  0
 17 18  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25672

> <plate>
PLATE 001

> <well>
H5

> <supplier_cmpd_name>
Necrostatin-1

> <ctcr_id>
2539

> <supplier_cmpd_id>
.

> <smiles>
CN1C(=O)C(Cc2c[nH]c3ccccc23)NC1=S

> <pd_targets>
{SMN1,TP53,GLA,FFP,CYP3A4,MAPT,RIPK1,THRB,RORC,IDO1,HSD17B10}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor",Enzyme,"Other cytosolic protein",Reader,Hydrolase,Transferase,"Cytochrome P450",Kinase,"Nuclear receptor",Oxidoreductase,"Methyl-lysine/arginine binding 
protein","Cytochrome P450 family 3","Protein Kinase","Nuclear hormone receptor subfamily 1","Tudor domain","Cytochrome P450 family 3A","TKL protein kinase group","Nuclear hormone receptor subfamily 1 
group A","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 3A4","TKL protein kinase RIPK family","Nuclear hormone receptor subfamily 1 group A member 2","Nuclear hormone receptor subfami
ly 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Catalytic receptors","Nuclear hormone receptors","1.13.11.- Dioxygenases","CYP3 family","Receptor kinases","1A. Thyroid hormone receptors","1F. Retinoic acid-rela
ted orphans","TKL: Tyrosine kinase-like","Receptor interacting protein kinase (RIPK) family"}

> <pathway_reactome>
{"Metabolism of RNA","Cell Cycle",Metabolism,"Neuronal System","Immune System","Metabolism of proteins","Gene expression (Transcription)","Metabolism of non-coding RNA","Cell Cycle Checkpoints","Metab
olism of lipids","Transmission across Chemical Synapses","Innate Immune System","Post-translational protein modification","RNA Polymerase II Transcription","Metabolism of amino acids and derivatives",
"snRNP Assembly","G1/S DNA Damage Checkpoints","Sphingolipid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","
Toll-like Receptor Cascades",SUMOylation,"Generic Transcription Pathway","Tryptophan catabolism","Branched-chain amino acid catabolism","p53-Dependent G1/S DNA damage checkpoint","Glycosphingolipid me
tabolism","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 4 (TLR4) Cascade","SUMO E3 ligases SUMOylate target proteins","Transcriptional r
egulation by RUNX3","p53-Dependent G1 DNA Damage Response","Biosynthesis of maresins","Post NMDA receptor activation events","MyD88-independent TLR4 cascade","SUMOylation of intracellular receptors","
RUNX3 Regulates Immune Response and Cell Migration","Stabilization of p53","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","TRIF(TICAM1)-mediated TLR4 signaling","Autodeg
radation of the E3 ubiquitin ligase COP1","IKK complex recruitment mediated by RIP1"}

> <broad_targets>
{RIPK1}

> <broad_moa>
{"RIPK inhibitor"}

> <synonyms>
{Necrostatin-1,Necrostatin1,4311-88-0,4311880,MTH-DL-Tryptophan,MTHDLTryptophan,Nec-1,Nec1,"Necrostatin 1",5-(1H-indol-3-ylmethyl)-3-methyl-2-thioxo-4-Imidazolidinone,5(1Hindol3ylmethyl)3methyl2thioxo
4Imidazolidinone,5-((1H-indol-3-yl)methyl)-3-methyl-2-thioxoimidazolidin-4-one,5((1Hindol3yl)methyl)3methyl2thioxoimidazolidin4one,MTH-trp,MTHtrp,methyl-thiohydantoin-tryptophan,methylthiohydantointry
ptophan,"Necrostatin-1 inactive","Necrostatin1 inactive",T1847,N9037,"EMD 480065",S8037,necrostatin-1,480065}

> <pdid>
PD003691

> <targets>
{Necrostatin-1,TNF-alpha,Autophagy,Ferroptosis,"Indoleamine 2,3-Dioxygenase (IDO)","RIP kinase"}

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

> <pubchem_cids>
{2828334}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 32 33  0  0  0  0            999 V2000
    6.4833   -9.7648    0.0000 C   0  0
    6.4855   -8.2648    0.0000 N   0  0
    7.7858   -7.5171    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 S   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4964   -0.7591    0.0000 O   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
  -11.6983    3.7390    0.0000 C   0  0
  -12.9978    2.9898    0.0000 C   0  0
  -11.6978    5.2390    0.0000 C   0  0
  -12.9970    4.4896    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 14 31  1  0
 31 32  2  0
 32 11  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25673

> <plate>
PLATE 001

> <well>
H6

> <supplier_cmpd_name>
Tenovin-6

> <ctcr_id>
7941

> <supplier_cmpd_id>
.

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

> <pd_targets>
{SIRT2,SIRT1,SIRT3}

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

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Mitotic,"RNA Polymerase II Transcription","M Phase","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","FOXO-mediated transcription","Mito
tic Anaphase","Regulation of FOXO transcriptional activity by acetylation","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Nuclear Envelope (NE) Reassembly","Initiati
on of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SIRT1,SIRT2,SIRT3}

> <broad_moa>
{"SIRT inhibitor"}

> <synonyms>
{ENOVIN,Tenovin-6,Tenovin6,1011557-82-6,1011557826,"Tenovin 6",CHEMBL595354,CHEBI:77729,MFCD11976906,C25H34N4O2S,"Tnv 6",SCHEMBL907478,"US8501991, Tenovin 6",BDBM99917,AOB3690,DTXSID50647242,EX-A350,E
XA350,HMS3648C14,HMS3652F12,BCP08547,2064AH,ZINC43196009,AKOS026750220,CCG-20869,CCG20869,T1818,S4900}

> <pdid>
PD010667

> <targets>
{Autophagy,Dihydroorotate Dehydrogenase,MDM-2/p53,Sirtuin}

> <classes>
{Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics,Metabolic Enzyme/Protease}

> <pubchem_cids>
{24772043}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 33 35  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -5.2081    5.9890    0.0000 N   0  0
   -5.2112    7.4898    0.0000 C   0  0
   -3.9134    8.2421    0.0000 O   0  0
   -6.5120    8.2384    0.0000 N   0  0
   -6.5150    9.7392    0.0000 C   0  0
   -7.8140   10.4893    0.0000 C   0  0
   -7.8140   11.9893    0.0000 C   0  0
   -6.5150   12.7393    0.0000 C   0  0
   -6.5150   14.2393    0.0000 Cl  0  0
   -5.2160   11.9893    0.0000 C   0  0
   -5.2160   10.4893    0.0000 C   0  0
   -3.9162   12.7397    0.0000 C   0  0
   -3.9153   14.2397    0.0000 F   0  0
   -2.6174   11.9893    0.0000 F   0  0
   -2.6168   13.4891    0.0000 F   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -5.1985    2.9859    0.0000 F   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 12 28  1  0
 28 29  1  0
 28 30  2  0
 30  9  1  0
  7 31  2  0
 31 32  1  0
 32 33  2  0
 33  5  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25674

> <plate>
PLATE 001

> <well>
H7

> <supplier_cmpd_name>
Regorafenib

> <ctcr_id>
4826

> <supplier_cmpd_id>
.

> <smiles>
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c(F)c2)ccn1

> <pd_targets>
{PDGFRB,RET,GLRA1,TEK,RAF1,KDR,KIT,BRAF,FLT4,EPHX2,FLT1,FGFR1,FLT3,PDGFRA,DDR2,FRK,FGFR2,MAPK11,ABL1,NTRK1,EPHA2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Ligand-gated ion channel",Protease,"Protein Kinase","Glycine receptor","Serine protease","TK protein kinase group","TKL protein kinase group","Serine protease SC clan","C
MGC protein kinase group","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Tie family","TKL protein kinase RAF family","Tyrosine protein kinase VEGF
R family","Serine protease S33 family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Src family","CMGC protein kinase MAPK family","Tyrosine prote
in kinase Abl family","Tyrosine protein kinase Trk family","Tyrosine protein kinase Eph family","CMGC protein kinase p38 subfamily"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"Catalytic receptors","Ligand-gated ion channels",Hydrolases,"Kinases (EC 2.7.x.x)","Receptor kinases","Glycine receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK famil
ies","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","Mitogen-activated protein kinases (MAP kinases)","Receptor tyrosine kinases (RTKs)","RAF family","Non-receptor tyrosine kinases (nRTKs)","p38 su
bfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Type XII RTKs: TIE family of angiopoietin receptors","Type IV RTKs: VEGF (vascular endothelial growth factor) rece
ptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type XVI RTKs: DDR (collagen receptor) family","Src family","Abl family","Type VII RTKs: Neurotrophin receptor/Trk family","
Type XIII RTKs: Ephrin receptor family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology","Neuronal System",Disease,Metabolism,"Extracellular matrix organization","Immune System","Intracellular signaling by second messengers","Nervous system d
evelopment","Transmission across Chemical Synapses","MAPK family signaling cascades","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second mes
sengers","Metabolism of lipids","Non-integrin membrane-ECM interactions","Innate Immune System","Infectious disease","PIP3 activates AKT signaling","Axon guidance","Neurotransmitter receptors and post
synaptic signal transmission","MAPK1/MAPK3 signaling","Signaling by VEGF","Signaling by KIT in disease","Signaling by NTRKs","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by F
GFR in disease","Signaling by Insulin receptor","Toll-like Receptor Cascades","Leishmania infection","Signaling by PDGFR in disease","Negative regulation of the PI3K/AKT network","RET signaling","RAF/
MAP kinase cascade","VEGFA-VEGFR2 Pathway","Drug resistance of KIT mutants","Signaling by NTRK1 (TRKA)","VEGF ligand-receptor interactions","Biosynthesis of DHA-derived SPMs","Signaling by FGFR1 in di
sease","Insulin receptor signalling cascade","PTEN Regulation","Signaling by FGFR2 in disease","Toll Like Receptor 5 (TLR5) Cascade","Parasite infection","Drug resistance of PDGFR mutants","EPH-Ephrin
 signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Negative regulation of MAPK pathway","VEGFR2 mediated cell proliferation","Dasatinib-resistant KIT mutants","Signalling to ERKs","VEGF bin
ds to VEGFR leading to receptor dimerization","Biosynthesis of maresins","FGFR1 mutant receptor activation","IRS-mediated signalling","Regulation of PTEN stability and activity","FGFR2 mutant receptor
 activation","MyD88 cascade initiated on plasma membrane","Leishmania phagocytosis","Imatinib-resistant PDGFR mutants","EPHA-mediated growth cone collapse","Negative feedback regulation of MAPK pathwa
y","Prolonged ERK activation events","Signaling by activated point mutants of FGFR1","PI3K Cascade","Activated point mutants of FGFR2","MAP kinase activation","FCGR3A-mediated phagocytosis","ARMS-medi
ated activation","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{ABL1,BRAF,DDR2,EPHA2,FGFR1,FGFR2,FLT1,FLT4,FRK,KDR,KIT,MAPK11,NTRK1,PDGFRA,PDGFRB,RAF1,RET,TEK}

> <broad_moa>
{"FGFR inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor","RAF inhibitor","RET tyrosine kinase inhibitor","VEGFR inhibitor"}

> <synonyms>
{"EGORAFENIB (BAY 734506",Regorafenib,755037-03-7,755037037,"BAY 73-4506","BAY 734506",Stivarga,Regorafenibum,"Regorafenib (BAY 73-4506)","Regorafenib (BAY 734506)",BAY73-4506,BAY734506,BAY-73-4506,UN
II-24T2A1DOYB,UNII24T2A1DOYB,24T2A1DOYB,CHEMBL1946170,CHEBI:68647,"Stivarga (TN)","BAY73-4506 hydrochloride","BAY734506 hydrochloride",1255386-16-3,1255386163,Regor,T1792,763932,S1178,regorafenib,"BAY
 73-4506(Regorafenib)"}

> <pdid>
PD003518

> <targets>
{VEGFR-PDGFR,c-Kit,Raf,VEGFR,c-RET}

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

> <pubchem_cids>
{11167602}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 32 34  0  0  1  0            999 V2000
   -4.2021   -5.7042    0.0000 C   0  0
   -2.7021   -5.7095    0.0000 C   0  0
   -1.9555   -7.0115    0.0000 O   0  0
   -0.4547   -7.0168    0.0000 C   0  0
    0.2973   -5.7189    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5453   -7.0213    0.0000 C   0  0
    1.7933   -8.3192    0.0000 C   0  0
    0.2933   -8.3170    0.0000 C   0  0
   -0.4563   -9.6172    0.0000 O   0  0
    0.2935  -10.9163    0.0000 C   0  0
    2.5498   -4.4223    0.0000 C   0  0  1  0  0  0
    4.0506   -4.4280    0.0000 C   0  0
    4.7969   -5.7301    0.0000 S   0  0
    5.5422   -7.0318    0.0000 C   0  0
    6.2969   -5.7357    0.0000 O   0  0
    4.0424   -7.0265    0.0000 O   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8805   -1.4410    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 N   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -3.8964    0.7545    0.0000 C   0  0
   -5.1996   -1.4928    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6923   -4.0811    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
  6 12  1  0
 12 13  1  6
 13 14  1  0
 14 15  1  0
 14 16  2  0
 14 17  2  0
 12 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  1  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 25 30  2  0
 30 21  1  0
 30 31  1  0
 31 18  1  0
 31 32  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25675

> <plate>
PLATE 001

> <well>
H8

> <supplier_cmpd_name>
Apremilast

> <ctcr_id>
7552

> <supplier_cmpd_id>
.

> <smiles>
CCOc1cc(ccc1OC)[C@@H](C[S](C)(=O)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O

> <pd_targets>
{PDE4B,PDE4D,PDE4A,PDE4C,PDE4}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Phosphodiesterase,"Phosphodiesterase 4","Phosphodiesterase 4B","Phosphodiesterase 4D","Phosphodiesterase 4A","Phosphodiesterase 4C"}

> <pathway_chembl>
{Enzymes,"Cyclic nucleotide turnover/signalling",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR downstream signalling","G alpha (i) signalling events","Opioid Signalling","DARPP-32 events"}

> <broad_targets>
{PDE4A,PDE4B,PDE4C,PDE4D}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{Apremilast,608141-41-9,608141419,OTEZLA,CC-10004,CC10004,"CC 10004","Apremilast (CC-10004)","Apremilast (CC10004)",UNII-UP7QBP99PN,UNIIUP7QBP99PN,CHEBI:78540,UP7QBP99PN,CHEMBL514800,C22H24N2O7S,"Apre
milast (USAN:INN)",apremilastum,MFCD18782607,"HSDB 8221","Otezla (TN)","Apremilast (JAN/USAN)",Ap,S8034}

> <pdid>
PD009329

> <targets>
{PDE}

> <classes>
{}

> <pubchem_cids>
{11561674}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 23 25  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
    5.1912   -4.5090    0.0000 C   0  0
    2.5951   -3.0039    0.0000 Si  0  0
    1.2948   -3.7516    0.0000 C   0  0
    1.2973   -2.2519    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -1.2991    5.2500    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 11  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25676

> <plate>
PLATE 001

> <well>
H9

> <supplier_cmpd_name>
kb-NB77-78

> <ctcr_id>
11428

> <supplier_cmpd_id>
.

> <smiles>
CC(C)(C)[Si](C)(C)Oc1cc2c(cc1)oc(=O)c1c2CCCN1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BNB777,kb-NB77-78,kbNB7778,1350622-33-1,1350622331,C18H25NO3Si,SCHEMBL9904020,BCP09959,3759AH,MFCD28167802,s6532,AKOS026750219,ZINC214464031,CS-3265,CS3265,HY-16698,HY16698,"9-((TERT-BUTYLDIMETHYLSIL
YL)OXY)-1H,2H,3H,4H-CHROMENO(3,4-B)PYRIDIN-5-ONE","9((TERTBUTYLDIMETHYLSILYL)OXY)1H,2H,3H,4HCHROMENO(3,4B)PYRIDIN5ONE",T1808}

> <pdid>
PD055846

> <targets>
{PKD1,Others}

> <classes>
{Apoptosis,Others}

> <pubchem_cids>
{78357823}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 15 16  0  0  0  0            999 V2000
    6.7075   -4.4318    0.0000 O   0  0
    7.3221   -3.0635    0.0000 C   0  0
    8.8145   -2.9122    0.0000 O   0  0
    6.4437   -1.8466    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    4.2010   -3.2956    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9  5  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25677

> <plate>
PLATE 001

> <well>
H10

> <supplier_cmpd_name>
VGX-1027

> <ctcr_id>
7873

> <supplier_cmpd_id>
.

> <smiles>
OC(=O)CC1CC(=NO1)c2ccccc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{TLR4}

> <broad_moa>
{"tumor necrosis factor receptor antagonist"}

> <synonyms>
{GX102,VGX-1027,VGX1027,6501-72-0,6501720,"GIT 27","4,5-DIHYDRO-3-PHENYL-5-ISOXAZOLEACETIC ACID","4,5DIHYDRO3PHENYL5ISOXAZOLEACETIC ACID",git-27,git27,"2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)acetic A
cid","2(3phenyl4,5dihydro1,2oxazol5yl)acetic Acid","2-(3-phenyl-4,5-dihydroisoxazol-5-yl)acetic acid","2(3phenyl4,5dihydroisoxazol5yl)acetic acid","4,5-Dihydro-3-phenyl-5-isoxazoleaceticacid","4,5Dihy
dro3phenyl5isoxazoleaceticacid","VGX 1027",MFCD,T1813,S7515}

> <pdid>
PD010288

> <targets>
{Interleukin Related,TNF Receptor}

> <classes>
{Apoptosis,Immunology/Inflammation}

> <pubchem_cids>
{10798271}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 32 35  0  0  0  0            999 V2000
    5.6608    1.8315    0.0000 O   0  0
    4.6588    2.9478    0.0000 C   0  0
    5.1250    4.3735    0.0000 O   0  0
    3.1904    2.6376    0.0000 C   0  0
    2.1885    3.7539    0.0000 O   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    3.1905   -2.6376    0.0000 C   0  0
    4.6589   -2.9478    0.0000 C   0  0
    5.1272   -4.3728    0.0000 C   0  0
    6.5954   -4.6799    0.0000 C   0  0
    7.5954   -3.5619    0.0000 C   0  0
    7.1272   -2.1368    0.0000 C   0  0
    5.6590   -1.8298    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.5018    3.7420    0.0000 O   0  0
   -7.7993    2.9876    0.0000 C   0  0
   -9.1010    3.7329    0.0000 F   0  0
   -7.7943    1.4876    0.0000 F   0  0
   -9.0957    2.2331    0.0000 F   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
  8 16  1  0
 16 17  2  0
 17  6  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 25 31  1  0
 31 32  2  0
 32 22  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25678

> <plate>
PLATE 001

> <well>
H11

> <supplier_cmpd_name>
Tiplaxtinin

> <ctcr_id>
11429

> <supplier_cmpd_id>
.

> <smiles>
OC(=O)C(=O)c1cn(Cc2ccccc2)c2c1cc(cc2)c1ccc(OC(F)(F)F)cc1

> <pd_targets>
{SERPINE1}

> <pathway_gtopdb>
{"Secreted protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer","SMAD2/SMAD3:SMAD4 heterotrimer regula
tes transcription"}

> <broad_targets>
{SERPINE1}

> <broad_moa>
{"plasminogen activator inhibitor"}

> <synonyms>
{Tiplaxtinin,393105-53-8,393105538,Tiplasinin,PAI-039,PAI039,"PAI 039",Tiplaxtinin(PAI-039),Tiplaxtinin(PAI039),UNII-L396QIB983,UNIIL396QIB983,PAI-039;Tiplasinin,PAI039;Tiplasinin,CHEMBL325441,L396QIB
983,"2-(1-benzyl-5-(4-(trifluoromethoxy)phenyl)indol-3-yl)-2-oxoacetic acid","2(1benzyl5(4(trifluoromethoxy)phenyl)indol3yl)2oxoacetic acid",2-(1-benzyl-5-(4-(trifluoromethoxy)p,2(1benzyl5(4(trifluoro
methoxy)p,T2030}

> <pdid>
PD012610

> <targets>
{PAI-1}

> <classes>
{Metabolism}

> <pubchem_cids>
{6450819}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 30 32  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5973    1.5031    0.0000 N   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8912    5.2578    0.0000 O   0  0
   -5.1894    6.0109    0.0000 C   0  0
   -5.1895    7.5109    0.0000 C   0  0
   -6.4885    8.2609    0.0000 C   0  0
   -7.7876    7.5110    0.0000 C   0  0
   -9.0866    8.2610    0.0000 Cl  0  0
   -7.7876    6.0110    0.0000 C   0  0
   -6.4886    5.2609    0.0000 C   0  0
   -1.2948    3.7516    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    7.7875   -7.5110    0.0000 C   0  0
    9.0866   -8.2610    0.0000 Cl  0  0
    7.7876   -6.0110    0.0000 C   0  0
    6.4885   -5.2610    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  3
 15 16  1  0
 15 17  1  0
 17 18  2  3
 18 12  1  0
  9 19  2  0
  7 20  1  0
 20 21  1  0
 21  4  1  0
  2 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  3
 25 26  1  0
 26 27  2  3
 27 28  1  0
 27 29  1  0
 29 30  2  3
 30 24  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25679

> <plate>
PLATE 002

> <well>
A2

> <supplier_cmpd_name>
ISRIB

> <ctcr_id>
11430

> <supplier_cmpd_id>
.

> <smiles>
O=C(N[C@H]1CC[C@H](NC(COC2=CC=C(Cl)C=C2)=O)CC1)COC3=CC=C(Cl)C=C3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{EIF2A,EIF2AK3}

> <broad_moa>
{"eukaryotic translation initiation factor inhibitor","PERK inhibitor"}

> <synonyms>
{ISRIB,trans-ISRIB,transISRIB,1597403-47-8,1597403478,"ISRIB (trans-isomer)","ISRIB (transisomer)",548470-11-7,548470117,"N,N'-(cis-Cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)acetamide)","N,N'(cisCyc
lohexane1,4diyl)bis(2(4chlorophenoxy)acetamide)",1597403-48-9,1597403489,"N,N'-((1r,4r)-cyclohexane-1,4-diyl)bis(2-(4-chlorophenoxy)acetamide)","N,N'((1r,4r)cyclohexane1,4diyl)bis(2(4chlorophenoxy)ace
tamide)",N,N'-trans-1,N'trans1,4-cyclohexanediylb,4cyclohexanediylb,T2027,T6183}

> <pdid>
PD012842

> <targets>
{PERK}

> <classes>
{MAPK}

> <pubchem_cids>
{1011240}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 27 28  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 C   0  0
   -3.8964   -0.7545    0.0000 S   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 N   0  0
   -9.0990    0.7364    0.0000 C   0  0
   -9.0964   -0.7636    0.0000 O   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -13.0003    1.4796    0.0000 C   0  0
  -14.2993    0.7296    0.0000 C   0  0
  -15.5984    1.4796    0.0000 C   0  0
  -15.5984    2.9796    0.0000 C   0  0
  -14.2994    3.7296    0.0000 C   0  0
  -13.0004    2.9796    0.0000 C   0  0
   -6.4995   -0.7599    0.0000 C   0  0
   -7.7983   -1.5103    0.0000 Cl  0  0
   -6.4992   -2.2599    0.0000 Cl  0  0
   -5.2004   -1.5099    0.0000 Cl  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  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  3
 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
 10 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
  5 26  1  0
 26 27  2  0
 27  2  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25680

> <plate>
PLATE 002

> <well>
A3

> <supplier_cmpd_name>
Sal003

> <ctcr_id>
7886

> <supplier_cmpd_id>
.

> <smiles>
Clc1ccc(NC(=S)NC(NC(=O)C=Cc2ccccc2)C(Cl)(Cl)Cl)cc1

> <pd_targets>
{RORC,NPSR1,CYP2C9,LMNA,CYP2C19,KMT2A,MEN1,SKA,CYP1A2,MAPT,FTL,CYP3A4,CYP2D6}

> <pathway_gtopdb>
{"Transcription factor","Membrane receptor",Enzyme,"Other nuclear protein","Epigenetic regulator","Other cytosolic protein","Unclassified protein","Nuclear receptor","Family A G protein-coupled recept
or","Cytochrome P450",Reader,Kinase,Protease,"Nuclear hormone receptor subfamily 1","Peptide receptor (family A GPCR)","Cytochrome P450 family 2",Bromodomain,"Cytochrome P450 family 1","Cysteine prote
ase","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cysteine protease CA cl
an","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Nuclear hormone receptor subfamily 1 group F member 3","Neuropeptide receptor","Cytochrome P450 2C9","Cytochrome P450 2C19","Cytochrome P45
0 1A1","Cysteine protease C1A family","Cytochrome P450 3A4","Cytochrome P450 2D6"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","G protein-coupled receptors","Cytochrome P450","1F. Retinoic acid-related orphans","Neuropeptide S receptor","CYP2 family: drug metabolising subset","CY
P1 family","CYP3 family"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,Metabolism,"Cell Cycle","Neuronal System","Vesicle-mediated transport","RNA Polymerase II Transcription","Infectious disease","Biological oxidations",Mitotic
,"Transmission across Chemical Synapses","Membrane Trafficking","Metabolism of lipids","Generic Transcription Pathway","Leishmania infection","Phase I - Functionalization of compounds","M Phase","Neur
otransmitter receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Budding","Biosynthesis of specialized proresolving mediators (SPMs)","Transcriptional regulation by RUNX3","Le
ishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle 
Biogenesis","Biosynthesis of DHA-derived SPMs","RUNX3 Regulates Immune Response and Cell Migration","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Mitotic Anaphase",
"Post NMDA receptor activation events","Biosynthesis of maresins","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Aromatic amines can b
e N-hydroxylated or N-dealkylated by CYP1A2","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{EIF2A}

> <broad_moa>
{"eukaryotic translation initiation factor inhibitor"}

> <synonyms>
{SCHEMBL16345219,HMS3653J03,HMS3674I09,AKOS026750474,MCULE-9150747950,MCULE9150747950,AK547038,DA-47669,DA47669,FT-0771509,FT0771509,SW219776-1,SW2197761,T2417,S7437,Sal003}

> <pdid>
PD010315

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2829966}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 16 17  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 S   0  0
    5.1894   -6.0109    0.0000 N   0  0
    5.5329   -7.4339    0.0000 C   0  0
    6.9818   -7.0457    0.0000 C   0  0
    6.5935   -5.5968    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  7  1  0
  2 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25681

> <plate>
PLATE 002

> <well>
A4

> <supplier_cmpd_name>
NSC319726

> <ctcr_id>
6891

> <supplier_cmpd_id>
.

> <smiles>
C\C(=N/NC(=S)N1CCC1)c2ccccn2

> <pd_targets>
{HSP90AA1}

> <pathway_gtopdb>
{"Unclassified protein","Other cytosolic protein"}

> <pathway_chembl>
{"Other protein targets","Heat shock proteins"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Mitotic G2-G2/M phases","G2/M Transition","Centrosome maturation","Loss of proteins required for interphase microtubule organization from the centrosome","Loss of Nlp from mitot
ic centrosomes"}

> <broad_targets>
{}

> <broad_moa>
{"p53 activator"}

> <synonyms>
{71555-25-4,71555254,71555_25_4,"71555 25 4","NSC 319726",NSC-319726,NSC_319726,"CID 5351307",(E)-N'-(1-(pyridin-2-yl)ethylidene)azetidine-1-carbothiohydrazide,(E)N'(1(pyridin2yl)ethylidene)azetidine1
carbothiohydrazide,(E)_N'_(1_(pyridin_2_yl)ethylidene)azetidine_1_carbothiohydrazide,"(E) N' (1 (pyridin 2 yl)ethylidene)azetidine 1 carbothiohydrazide",N'-(1-(Pyridin-2-yl)ethylidene)azetidine-1-carb
othiohydrazide,N'(1(Pyridin2yl)ethylidene)azetidine1carbothiohydrazide,N'_(1_(Pyridin_2_yl)ethylidene)azetidine_1_carbothiohydrazide,"N' (1 (Pyridin 2 yl)ethylidene)azetidine 1 carbothiohydrazide",N-(
(E)-1-pyridin-2-ylethylideneamino)azetidine-1-carbothio,N((E)1pyridin2ylethylideneamino)azetidine1carbothio,N_((E)_1_pyridin_2_ylethylideneamino)azetidine_1_carbothio,"N ((E) 1 pyridin 2 ylethylidenea
mino)azetidine 1 carbothio",T2464,"AZETIDINE CARBOTHIOIC ACID, (1-(2-PYRIDINYL)ETHYLIDENE)HYDRAZIDE",NSC319726}

> <pdid>
PD010594

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5351307}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 29 31  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -3.8990   -0.7455    0.0000 N   0  0
   -5.2003   -1.4932    0.0000 N   0  0
   -6.4990   -0.7410    0.0000 C   0  0
   -6.4964    0.7590    0.0000 O   0  0
   -7.8003   -1.4887    0.0000 C   0  0
   -9.0990   -0.7365    0.0000 N   0  0
  -10.4007   -1.4819    0.0000 C   0  0
  -11.6971   -0.7274    0.0000 C   0  0
  -11.6919    0.7726    0.0000 N   0  0
  -10.3903    1.5181    0.0000 C   0  0
   -9.0939    0.7636    0.0000 C   0  0
  -12.9875    1.5301    0.0000 C   0  0
  -12.9802    3.0310    0.0000 C   0  0
  -14.2740    3.7900    0.0000 C   0  0
  -14.2636    5.2900    0.0000 C   0  0
  -12.9594    6.0310    0.0000 C   0  0
  -11.6656    5.2720    0.0000 C   0  0
  -11.6760    3.7720    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
  8 28  1  0
 28  4  1  0
 28 29  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25682

> <plate>
PLATE 002

> <well>
A5

> <supplier_cmpd_name>
PAC1

> <ctcr_id>
8355

> <supplier_cmpd_id>
.

> <smiles>
C=CCC1=CC=CC(=C/NNC(=O)CN2CCN(CC2)Cc3ccccc3)\C1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AC,PAC-1,PAC1,315183-21-2,315183212,"PAC 1","Procaspase activating compound 1",UNII-9LIS8N0B2C,UNII9LIS8N0B2C,"Procaspase-3 Activator","Procaspase3 Activator",9LIS8N0B2C,"Procaspase-3 Activator, PAC-
1","Procaspase3 Activator, PAC1",CID6851947,"PAC-1 pound notPAC1","PAC1 pound notPAC1",cc-276,cc276,CHEMBL591429,GTPL5238,BDBM36363,DTXSID30897425,HMS3263J04,H,T2503,2581}

> <pdid>
PD038806

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{135421197}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 16 17  0  0  0  0            999 V2000
    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 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    2.5944   -6.0070    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
  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
 15 16  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25684

> <plate>
PLATE 002

> <well>
A7

> <supplier_cmpd_name>
BG45

> <ctcr_id>
11581

> <supplier_cmpd_id>
.

> <smiles>
N(C(=O)c1nccnc1)c1ccccc1N

> <pd_targets>
{HDAC3,HDAC1,HDAC2}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Histone deacetylase","HDAC class I"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Disorders of Developmental Biology","RNA Polymerase II Transcription","Disorders of Nervous System Development","Generic Transcription Pathway","Pervasive d
evelopmental disorders","Transcriptional Regulation by TP53","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","Loss of MECP2 binding ability to the NCoR/SMRT complex","Loss o
f MECP2 binding ability to 5mC-DNA","Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BG45,926259-99-6,926259996,N-(2-aminophenyl)pyrazine-2-carboxamide,N(2aminophenyl)pyrazine2carboxamide,BG-45,N-(2-Aminophenyl)-2-pyrazinecarboxamide,N(2Aminophenyl)2pyrazinecarboxamide,UNII-12P6IK4ZU
X,UNII12P6IK4ZUX,12P6IK4ZUX,CHEMBL4283263,"BG45, HDAC3 Inhibitor",SCHEMBL18064956,AOB4907,SYN5062,CHEBI:125522,BCP15990,BDBM50470567,MFCD09046162,s7,T2294}

> <pdid>
PD012417

> <targets>
{HDAC1,HDAC2,HDAC3,HDAC6}

> <classes>
{Chromatin/Epigenetic,"DNA Damage/DNA Repair",NF-¦ªb}

> <pubchem_cids>
{16773791}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 16 18  0  0  0  0            999 V2000
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1476   -0.7184    0.0000 O   0  0
   -0.7500   -1.5574    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
   -2.3882    2.1623    0.0000 O   0  0
   -1.6774    3.4832    0.0000 C   0  0
   -0.2015    3.2154    0.0000 C   0  0
    0.7681    4.3584    0.0000 C   0  0
    0.2621    5.7704    0.0000 C   0  0
   -1.2138    6.0383    0.0000 C   0  0
   -2.1837    4.8940    0.0000 C   0  0
    1.2320    6.9147    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  1  1  0
  4  9  1  0
  9 10  1  0
 10 11  2  0
 11  3  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 13 16  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25685

> <plate>
PLATE 002

> <well>
A8

> <supplier_cmpd_name>
CID755673

> <ctcr_id>
11438

> <supplier_cmpd_id>
.

> <smiles>
C1Cc2c(C(=O)NC1)oc1c2cc(cc1)O

> <pd_targets>
{HTT,RORC,PRKD1,STK33,PRKD2,PRKD3,CDK7,GSK3B,PLK1,LMNA,ALDH1A1,CDK5,CDK5R1,PKD2,DYRK1A}

> <pathway_gtopdb>
{"Unclassified protein","Transcription factor",Enzyme,"Other nuclear protein","Ion channel","Nuclear receptor",Kinase,Oxidoreductase,"Voltage-gated ion channel","Nuclear hormone receptor subfamily 1",
"Protein Kinase","Transient receptor potential channel","Nuclear hormone receptor subfamily 1 group F","CAMK protein kinase group","CMGC protein kinase group","Other protein kinase group","Nuclear hor
mone receptor subfamily 1 group F member 3","CAMK protein kinase PKD family","CAMK protein kinase unique family","CMGC protein kinase CDK family","CMGC protein kinase GSK family","Other protein kinase
 PLK family","CMGC protein kinase DYRK family","CMGC protein kinase CDK7 subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Catalytic receptors","Voltage-gated ion channels","1F. Retinoic acid-related orphans","CAMK: Calcium/calmodulin-de
pendent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","Transient Receptor Potential channels","Protein kinase D (PKD) family","CAMK-unique family","Cyclin-depende
nt kinase (CDK) family","Glycogen synthase kinase (GSK) family","Other protein kinases","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CDK7 subfamily","GSK subfamily",
"Polo-like kinase (PLK) family","Dyrk1 subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,Disease,"Cell Cycle","Organelle biogenesis and maintenance","RNA Polymerase II Transcription","Metabolism of lipids","Infectious disease",Mitotic,"Biologi
cal oxidations","Cilium Assembly","Generic Transcription Pathway","Sphingolipid metabolism","HIV Infection","SARS-CoV Infections","Mitotic G2-G2/M phases","M Phase","Phase I - Functionalization of com
pounds","Cargo trafficking to the periciliary membrane","Mitotic G1 phase and G1/S transition","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","Sphingolipid de novo biosynt
hesis","HIV Life Cycle","SARS-CoV-1 Infection","G2/M Transition","Mitotic Metaphase and Anaphase","Ethanol oxidation","VxPx cargo-targeting to cilium","G0 and Early G1","Regulation of MECP2 expression
 and activity","RUNX3 Regulates Immune Response and Cell Migration","Late Phase of HIV Life Cycle","SARS-CoV-1 Genome Replication and Transcription","Centrosome maturation","Mitotic Anaphase","Transcr
iption of the HIV genome","Replication of the SARS-CoV-1 genome","Loss of proteins required for interphase microtubule organization from the centrosome","Nuclear Envelope (NE) Reassembly","HIV Transcr
iption Elongation","Loss of Nlp from mitotic centrosomes","Initiation of Nuclear Envelope (NE) Reformation","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex con
taining HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{521937-07-5,521937075,CID755673,"CID 755673",cid-755673,cid755673,"7-Hydroxy-2,3,4,5-tetrahydro-1H-benzofuro(2,3-c)azepin-1-one","7Hydroxy2,3,4,5tetrahydro1Hbenzofuro(2,3c)azepin1one",MLS000043346,"2
,3,4,5-Tetrahydro-7-hydroxy-1H-benzofuro(2,3-c)azepin-1-one","2,3,4,5Tetrahydro7hydroxy1Hbenzofuro(2,3c)azepin1one",7-hydroxy-2,7hydroxy2,3,4,5-tetrahydro-(1)benzofuro(2,5tetrahydro(1)benzofuro(2,3-c)
azepin-1-on,3c)azepin1on,T2458}

> <pdid>
PD010243

> <targets>
{PKD1,PKD2,PKD3}

> <classes>
{Apoptosis}

> <pubchem_cids>
{755673}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 29 32  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0970   -6.1150    0.0000 C   0  0
   -0.5664   -7.5397    0.0000 N   0  0
   -2.0664   -7.5335    0.0000 N   0  0
   -2.5240   -6.1051    0.0000 C   0  0
   -3.9459   -5.6272    0.0000 O   0  0
   -2.9535   -8.7440    0.0000 C   0  0
   -2.5952  -10.1826    0.0000 S   0  0
   -3.8772  -10.9613    0.0000 C   0  0
   -5.0140   -9.9828    0.0000 C   0  0
   -4.4346   -8.5992    0.0000 N   0  0
   -6.4746  -10.3275    0.0000 C   0  0
   -7.0105  -11.7232    0.0000 C   0  0
   -8.4921  -11.9569    0.0000 C   0  0
   -9.4354  -10.7905    0.0000 C   0  0
   -8.8969   -9.3905    0.0000 C   0  0
   -7.4152   -9.1568    0.0000 C   0  0
    1.3287   -5.6489    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 16 12  1  0
 16 17  2  0
 15 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 18  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 13 29  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25686

> <plate>
PLATE 002

> <well>
A9

> <supplier_cmpd_name>
BAM7

> <ctcr_id>
7336

> <supplier_cmpd_id>
.

> <smiles>
CCOc1ccccc1N\N=C\2C(=NN(C2=O)c3scc(n3)c4ccccc4)C

> <pd_targets>
{BCL2,BAX}

> <pathway_gtopdb>
{"Ion channel","Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{"Other protein targets","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)","Innate Immune System","RNA Polymerase II Transcription","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling pathway
s","Generic Transcription Pathway",Inflammasomes,"Transcriptional Regulation by TP53","The NLRP1 inflammasome","TP53 Regulates Transcription of Cell Cycle Genes","TP53 Regulates Transcription of Genes
 Involved in G2 Cell Cycle Arrest"}

> <broad_targets>
{BAX}

> <broad_moa>
{"BAX activator"}

> <synonyms>
{BAM7,S7105}

> <pdid>
PD012596

> <targets>
{Bcl-2}

> <classes>
{}

> <pubchem_cids>
{5754137}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 31 31  0  0  1  0            999 V2000
    6.4921   -0.7549    0.0000 C   0  0
    5.1933   -1.5053    0.0000 O   0  0
    5.1929   -3.0062    0.0000 C   0  0
    6.4919   -3.7562    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0  2  0  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 S   0  0
    6.4848   -8.2644    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -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
   -5.2003    1.4932    0.0000 C   0  0  2  0  0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.7996    1.4882    0.0000 S   0  0
   -5.2029    2.9932    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
    8.9928   -2.2561    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  1  0
  8  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  1  6
 14 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_L9000_Apoptosis Compound Library

> <id>
25687

> <plate>
PLATE 002

> <well>
A10

> <supplier_cmpd_name>
FTI 277 hydrochloride

> <ctcr_id>
11739

> <supplier_cmpd_id>
.

> <smiles>
COC(=O)[C@H](CCSC)NC(=O)c1c(cc(cc1)NC[C@H](CS)N)c1ccccc1.Cl

> <pd_targets>
{FNTA,FNTB,FFP,FTL}

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

> <pathway_chembl>
{Enzymes,"2.5.1.58 Protein farnesyltransferase"}

> <pathway_reactome>
{"Signal Transduction","Vesicle-mediated transport","Signaling by GPCR","Membrane Trafficking","GPCR downstream signalling","trans-Golgi Network Vesicle Budding","G alpha (i) signalling events","Golgi
 Associated Vesicle Biogenesis","Visual phototransduction","The phototransduction cascade",Inactivation,"recovery and regulation of the phototransduction cascade"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"FTI 277 HCl",180977-34-8,180977348,"FTI-277 hydrochloride","FTI277 hydrochloride","FTI-277 (hydrochloride)","FTI277 (hydrochloride)","FTI-277 HCl","FTI277 HCl","180977-34-8 (HCl)","180977348 (HCl)",
SCHEMBL8492805,EX-A2211,EXA2211,HY-15872A,HY15872A,s7465,CCG-269578,CCG269578,CS-3863,CS3863,AC-32875,AC32875,B5842,T2700,"FTI 277 hydrochloride"}

> <pdid>
PD030200

> <targets>
{Farnesyl transferase (FTase),GGTase I,Apoptosis,Farnesyl Transferase,Ras}

> <classes>
{Metabolism,Apoptosis,GPCR/G Protein,Metabolic Enzyme/Protease}

> <pubchem_cids>
{88309922}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 35 37  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 S   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.5993    0.0004    0.0000 O   0  0
    1.3000   -0.7500    0.0000 O   0  0
   11.5904    0.3824    0.0000 O   0  0
   12.8907    1.1301    0.0000 C   0  0
   12.8928    2.6309    0.0000 N   0  0
   11.5946    3.3840    0.0000 C   0  0
   11.5946    4.8840    0.0000 C   0  0
   10.2956    5.6340    0.0000 C   0  0
    8.9965    4.8840    0.0000 C   0  0
    8.9965    3.3840    0.0000 C   0  0
   10.2956    2.6340    0.0000 C   0  0
    7.6963    5.6345    0.0000 C   0  0
    8.9090    6.4540    0.0000 C   0  0
    8.4439    7.8801    0.0000 C   0  0
    6.9439    7.8784    0.0000 C   0  0
    6.4819    6.4513    0.0000 C   0  0
    6.3982    4.8813    0.0000 C   0  0
    5.1007    4.1286    0.0000 N   0  0
   14.1889    0.3770    0.0000 C   0  0
   15.4881    1.1270    0.0000 C   0  0
   16.7871    0.3769    0.0000 C   0  0
   16.7870   -1.1231    0.0000 C   0  0
   15.4880   -1.8730    0.0000 N   0  0
   14.1890   -1.1230    0.0000 C   0  0
   12.8908   -1.8761    0.0000 N   0  0
   12.8929   -3.3769    0.0000 C   0  0
   11.5947   -4.1300    0.0000 C   0  0
   11.5947   -5.6301    0.0000 C   0  0
   10.2957   -6.3801    0.0000 C   0  0
    8.9966   -5.6301    0.0000 N   0  0
    8.9965   -4.1301    0.0000 C   0  0
   10.2956   -3.3801    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 15  1  0
 15 20  1  0
 20 21  3  0
  7 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25688

> <plate>
PLATE 002

> <well>
A11

> <supplier_cmpd_name>
Apatinib

> <ctcr_id>
4550

> <supplier_cmpd_id>
.

> <smiles>
CS(=O)(=O)O.O=C(Nc1ccc(cc1)C2(CCCC2)C#N)c3cccnc3NCc4ccncc4

> <pd_targets>
{KDR,KIT,RET,CSK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Cs
k family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type IV RTKs: VEGF (vascular endothelial growth fa
ctor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Csk family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Developmental Biology","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Nervous system devel
opment","Signaling by VEGF","Signaling by KIT in disease","Axon guidance","Oncogenic MAPK signaling","VEGFA-VEGFR2 Pathway","Drug resistance of KIT mutants","RET signaling","Signaling by RAS mutants",
"VEGFR2 mediated cell proliferation","Dasatinib-resistant KIT mutants","Signaling downstream of RAS mutants"}

> <broad_targets>
{CSK,KDR,KIT,RET}

> <broad_moa>
{"RET tyrosine kinase inhibitor"}

> <synonyms>
{Apatinib,"Apatinib Mesylate",1218779-75-9,1218779759,"1218779 75 9","Rivoceranib mesylate",YN968D1,YN-968D1,"YN 968D1",UNII-TK02X14ASJ,UNIITK02X14ASJ,"UNII TK02X14ASJ",TK02X14ASJ,Apatinib?mesylate,"A
litan (TN)","Apatinib (YN968D1)","Apatinib - YN968D1","Apatinib  YN968D1","Apatinib   YN968D1","Rivoceranib mesylate (USAN)",cc-605,cc605,"cc 605",MLS006011286,CHEMB,T5153,T2582,S2221,"Apatinib mesyla
te"}

> <pdid>
PD057121

> <targets>
{VEGFR,c-RET}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{45139106}

$$$$
TargetMol_L9000_Apoptosis 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_L9000_Apoptosis Compound Library

> <id>
25689

> <plate>
PLATE 002

> <well>
B2

> <supplier_cmpd_name>
TG101209

> <ctcr_id>
5042

> <supplier_cmpd_id>
.

> <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_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 21 24  0  0  0  0            999 V2000
    3.8805   -1.4410    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1519   -3.7888    0.0000 C   0  0
   -2.7878   -2.4303    0.0000 O   0  0
   -2.8673   -5.1072    0.0000 N   0  0
   -1.8349   -6.1943    0.0000 C   0  0
   -0.4812   -5.5482    0.0000 C   0  0
    0.7552   -6.3975    0.0000 C   0  0
    0.6379   -7.8929    0.0000 C   0  0
   -0.7159   -8.5390    0.0000 C   0  0
   -1.9522   -7.6897    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
  9 20  1  0
 20  2  1  0
 20 21  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25690

> <plate>
PLATE 002

> <well>
B3

> <supplier_cmpd_name>
Methylisoindigotin

> <ctcr_id>
11443

> <supplier_cmpd_id>
.

> <smiles>
CN1c2ccccc2/C(=C/2\C(=O)Nc3c2cccc3)/C1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{STAT3}

> <broad_moa>
{"STAT inhibitor"}

> <synonyms>
{Meisoindigo,97207-47-1,97207471,Methylisoindigotin,UNII-92UIP6405R,UNII92UIP6405R,(3E)-1-methyl-3-(2-oxo-1H-indol-3-ylidene)indol-2-one,(3E)1methyl3(2oxo1Hindol3ylidene)indol2one,N-Methylisoindigotin
,NMethylisoindigotin,92UIP6405R,"Dian III","Dian III;N-Methylisoindigotin;Natura-alpha","Dian III;NMethylisoindigotin;Naturaalpha",1416052-36-2,1416052362,(E)-1,(E)1,1'-dimethyl-(3,1'dimethyl(3,3,T188
2}

> <pdid>
PD017547

> <targets>
{"Apoptosis inducer"}

> <classes>
{Apoptosis}

> <pubchem_cids>
{126274}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 28 31  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.9511   -0.8815    0.0000 C   0  0
   -4.9530   -1.9978    0.0000 C   0  0
   -4.2010   -3.2957    0.0000 C   0  0
   -2.7343   -2.9815    0.0000 O   0  0
   -4.8053   -4.6666    0.0000 C   0  0
   -6.2966   -4.8284    0.0000 O   0  0
   -3.9195   -5.8781    0.0000 N   0  0
   -4.5249   -7.2514    0.0000 C   0  0
   -3.6413   -8.4636    0.0000 C   0  0
   -4.2492   -9.8349    0.0000 C   0  0
   -5.7407   -9.9941    0.0000 C   0  0
   -6.3517  -11.3650    0.0000 C   0  0
   -7.8443  -11.5221    0.0000 N   0  0
   -8.4570  -12.8913    0.0000 C   0  0
   -9.9491  -13.0454    0.0000 C   0  0
  -10.8285  -11.8303    0.0000 O   0  0
  -10.2159  -10.4611    0.0000 C   0  0
   -8.7239  -10.3070    0.0000 C   0  0
   -6.6244   -8.7820    0.0000 C   0  0
   -6.0165   -7.4107    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  8  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 19 27  1  0
 27 28  2  0
 28 16  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25691

> <plate>
PLATE 002

> <well>
B4

> <supplier_cmpd_name>
CID-2011756

> <ctcr_id>
11445

> <supplier_cmpd_id>
.

> <smiles>
Clc1cccc(c1)c1ccc(o1)C(=O)Nc1ccc(CN2CCOCC2)cc1

> <pd_targets>
{HPGD,L3MBTL1,ALDH1A1,ARFGAP1,KMT2A,MEN1,FTL,PRKD1,HSD17B10,TSHR,MAPK1,MAPT,LEF,AMPC}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein",Protease,Reader,Oxidoreductase,Kinase,"Cysteine protease","Methyl-lysine/arginine binding protein",Bromodomain,"Protein Kinase","Cysteine protease
 CA clan","MBT domain","CAMK protein kinase group","Cysteine protease C1A family","CAMK protein kinase PKD family","Membrane receptor","Other cytosolic protein","Family A G protein-coupled receptor",H
ydrolase,"Peptide receptor (family A GPCR)","Metallo protease","Glycohormone receptor","CMGC protein kinase group","Metallo protease MAE clan","CMGC protein kinase MAPK family","Metallo protease M34 f
amily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,"Eicosanoid turnover","Kinases (EC 2.7.x.x)","Prostaglandin synthases","CAMK: Calcium/calmodulin-dependent protein kinases","Protein kinase D (PKD) family",Receptors,"G protein-coupled recept
ors","Glycoprotein hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Vesicle-mediated transport","Metabolism of lipids","RNA Polymerase II Transcription","Biological oxidations","Membrane Trafficking","Biosynthesis of spec
ialized proresolving mediators (SPMs)","Generic Transcription Pathway","Phase I - Functionalization of compounds","trans-Golgi Network Vesicle Budding","Sphingolipid metabolism","Biosynthesis of DHA-d
erived SPMs","Transcriptional Regulation by TP53","Ethanol oxidation","Golgi Associated Vesicle Biogenesis","Sphingolipid de novo biosynthesis","Biosynthesis of D-series resolvins","Regulation of TP53
 Activity","Regulation of TP53 Activity through Methylation",Disease,"Immune System","Neuronal System","Metabolism of amino acids and derivatives","Infectious disease","Innate Immune System","Transmis
sion across Chemical Synapses","Branched-chain amino acid catabolism","Leishmania infection","Toll-like Receptor Cascades","Neurotransmitter receptors and postsynaptic signal transmission","Uptake and
 actions of bacterial toxins","Leishmania parasite growth and survival","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic events","Uptake and function of anthrax tox
ins","Anti-inflammatory response favouring Leishmania parasite infection","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","ADORA2B mediated anti-inflammatory cytoki
nes production","MAP kinase activation","Activation of AMPK downstream of NMDARs","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{PKD1}

> <broad_moa>
{"protein kinase inhibitor"}

> <synonyms>
{ID201175,638156-11-3,638156113,CID-2011756,CID2011756,"CID 2011756",5-(3-chlorophenyl)-N-(4-(morpholinomethyl)phenyl)furan-2-carboxamide,5(3chlorophenyl)N(4(morpholinomethyl)phenyl)furan2carboxamide,
5-(3-chlorophenyl)-N-(4-(morpholin-4-ylmethyl)phenyl)furan-2-carboxamide,5(3chlorophenyl)N(4(morpholin4ylmethyl)phenyl)furan2carboxamide,MLS000557592,5-(3-Chlorophenyl)-N-(4-(morpholinometh,5(3Chlorop
henyl)N(4(morpholinometh,T1863}

> <pdid>
PD012863

> <targets>
{PKD}

> <classes>
{Apoptosis}

> <pubchem_cids>
{2011756}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 33 37  0  0  0  0            999 V2000
    3.1882    2.6402    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
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    3.1884   -2.6409    0.0000 C   0  0
    4.6235   -3.0601    0.0000 C   0  0
    4.9782   -4.5176    0.0000 C   0  0
    3.8933   -5.5535    0.0000 C   0  0
    2.4538   -5.1320    0.0000 C   0  0
    2.0991   -3.6745    0.0000 C   0  0
    4.5427   -6.9048    0.0000 N   0  0
    6.0293   -6.7043    0.0000 C   0  0
    6.2980   -5.2286    0.0000 C   0  0
    3.8344   -8.2250    0.0000 C   0  0
    2.3351   -8.2713    0.0000 O   0  0
    4.6241   -9.5013    0.0000 C   0  0
    3.9146  -10.8238    0.0000 C   0  0
    4.7020  -12.1005    0.0000 C   0  0
    3.9902  -13.4208    0.0000 C   0  0
    2.4908  -13.4645    0.0000 C   0  0
    1.7033  -12.1879    0.0000 C   0  0
    2.4152  -10.8675    0.0000 C   0  0
    4.7782  -14.6981    0.0000 C   0  0
    6.2775  -14.6554    0.0000 F   0  0
    4.0659  -16.0183    0.0000 F   0  0
    5.5651  -15.9752    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  2  1  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
  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
 19 20  1  0
 20 14  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 26 30  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25692

> <plate>
PLATE 002

> <well>
B5

> <supplier_cmpd_name>
GSK2606414

> <ctcr_id>
11586

> <supplier_cmpd_id>
.

> <smiles>
Cn1cc(c2c1ncnc2N)c1cc2c(cc1)N(CC2)C(=O)Cc1cc(ccc1)C(F)(F)F

> <pd_targets>
{MAP3K9,WNK2,AXL,RET,PTK6,KIT,CYP3A4,EIF2AK3,EIF2AK1,MERTK,RIPK1,YES1,NEK4,NTRK3,CYP2C19,CYP2C9,MAP4K5,MAP3K11,MAP3K10,CYP2D6,CYP1A2,CYP2C8,NTRK2,IKBKE,MYLK2,LCK,DDR2,AURKB,EIF2AK2,NTRK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 3","Cytochrome P450 family 2","Cytochrome P450 family 1","TKL protein kinase group","Other protein kinase group","TK protein k
inase group","Cytochrome P450 family 3A","Cytochrome P450 family 2C","STE protein kinase group","Cytochrome P450 family 2D","Cytochrome P450 family 1A","CAMK protein kinase group","TKL protein kinase 
MLK family","Other protein kinase Wnk family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Src family","Tyrosine protein kinase PDGFR family","Cyt
ochrome P450 3A4","Other protein kinase PEK family","TKL protein kinase RIPK family","Other protein kinase NEK family","Tyrosine protein kinase Trk family","Cytochrome P450 2C19","Cytochrome P450 2C9"
,"STE protein kinase STE20 family","Cytochrome P450 2D6","Cytochrome P450 1A1","Cytochrome P450 2C8","CAMK protein kinase MLCK family","Tyrosine protein kinase DDR family","Other protein kinase AUR fa
mily","TKL protein kinase MLK subfamily","Other protein kinase PEK subfamily","Other protein kinase HRI","STE protein kinase KHS subfamily","Other protein kinase PKR"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Cytochrome P450","Kinases (EC 2.7.x.x)","Receptor kinases","CYP3 family","CYP2 family: drug metabolising subset","STE: Homologs of yeast Sterile 7","Sterile 1
1","Sterile 20 kinases","CYP1 family","CAMK: Calcium/calmodulin-dependent protein kinases","TKL: Tyrosine kinase-like","Other protein kinases","TK: Tyrosine kinase","STE20 family","Myosin Light Chain 
Kinase (MLCK) family","Mixed Lineage Kinase (MLK) family","Wnk family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","PEK family","Receptor interacting protein kinase (RIP
K) family","NIMA (never in mitosis gene a)- related kinase (NEK) family","KHS subfamily","IKK family","Aurora kinase (Aur) family","MLK subfamily","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) recepto
r family","Type XIV RTKs: RET","Src family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","PEK subfamily","Other PEK family kinases","Type VII RTKs: Neurotrophin receptor/Trk family","Type XV
I RTKs: DDR (collagen receptor) family"}

> <pathway_reactome>
{"Transport of small molecules","Signal Transduction","Developmental Biology","Cell Cycle",Disease,Metabolism,"Metabolism of proteins","Cellular responses to external stimuli",Hemostasis,"Immune Syste
m","Extracellular matrix organization","Ion channel transport","Signaling by Receptor Tyrosine Kinases","Nervous system development",Mitotic,"Diseases of signal transduction by growth factor receptors
 and second messengers","Metabolism of lipids","Unfolded Protein Response (UPR)","Cellular responses to stress","Cell surface interactions at the vascular wall","Innate Immune System","Infectious dise
ase","Biological oxidations","Non-integrin membrane-ECM interactions","Stimuli-sensing channels","Signaling by VEGF","Axon guidance","Mitotic G1 phase and G1/S transition","Signaling by KIT in disease
","Biosynthesis of specialized proresolving mediators (SPMs)","PERK regulates gene expression","Response of EIF2AK1 (HRI) to heme deficiency","Toll-like Receptor Cascades","Leishmania infection","Sign
aling by NTRKs","Phase I - Functionalization of compounds","Oncogenic MAPK signaling","HIV Infection","M Phase","Influenza Infection","VEGFA-VEGFR2 Pathway","RET signaling","G1 Phase","Drug resistance
 of KIT mutants","Biosynthesis of DHA-derived SPMs","Toll Like Receptor 4 (TLR4) Cascade","Leishmania parasite growth and survival","Signaling by NTRK3 (TRKC)","Cytochrome P450 - arranged by substrate
 type","Signaling by RAS mutants","Signaling by NTRK1 (TRKA)","Host Interactions of HIV factors","Mitotic Metaphase and Anaphase","NS1 Mediated Effects on Host Pathways","Cyclin D associated events in
 G1","Dasatinib-resistant KIT mutants","Biosynthesis of maresins","MyD88-independent TLR4 cascade","Anti-inflammatory response favouring Leishmania parasite infection","Activated NTRK3 signals through
 PI3K",Xenobiotics,"Signaling downstream of RAS mutants","Activation of TRKA receptors","The role of Nef in HIV-1 replication and disease pathogenesis","Mitotic Anaphase","Inhibition of PKR","Signalli
ng to ERKs","Biosynthesis of maresin-like SPMs","TRIF(TICAM1)-mediated TLR4 signaling","FCGR3A-mediated IL10 synthesis","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CY
P1A2","NGF-independant TRKA activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Separation of Sister Chromatids","Prolonged ERK activation eve
nts","IKK complex recruitment mediated by RIP1","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Nef Mediated CD4 Down-regulation","ARMS-mediated activation"}

> <broad_targets>
{EIF2AK3,MYLK2}

> <broad_moa>
{"protein kinase inhibitor"}

> <synonyms>
{GSK2606414,1337531-36-8,1337531368,"GSK 2606414",GSK-2606414,CHEMBL2171124,C24H20F3N5O,Tube501,SCHEMBL868254,AOB3888,EX-A340,EXA340,SYN1201,HMS3653O10,HMS3743C19,BCP06992,BDBM50396534,MFCD25976926,NS
C781627,s7307,ZINC95550949,AKOS024458496,CCG-269247,CCG269247,CS-1428,CS1428,EK-,EK,T2614}

> <pdid>
PD010356

> <targets>
{PERK,"eIF-2AK1 (HRI)","eIF-2AK2 (PKR)","eIF-2AK3 (PERK)"}

> <classes>
{Apoptosis}

> <pubchem_cids>
{53469448}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 34 38  0  0  0  0            999 V2000
    2.5795   -7.5040    0.0000 C   0  0
    2.5847   -6.0040    0.0000 N   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 Br  0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -2.5764   -7.5048    0.0000 O   0  0
   -1.2730   -8.2489    0.0000 C   0  0
   -1.2625   -9.7489    0.0000 C   0  0
    0.0417  -10.4898    0.0000 C   0  0
    1.3355   -9.7309    0.0000 C   0  0
    1.3251   -8.2309    0.0000 C   0  0
    0.0209   -7.4899    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  3
 17 11  1  0
 17 18  1  0
 12 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  2  3
 24 25  1  0
 25 26  1  0
 26 27  2  3
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  2  3
 31 26  1  0
 24 32  1  0
 32 33  2  3
 33 21  1  0
 19 34  2  3
 34  9  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25693

> <plate>
PLATE 002

> <well>
B6

> <supplier_cmpd_name>
G-749

> <ctcr_id>
11448

> <supplier_cmpd_id>
.

> <smiles>
CN1CCC(CC1)NC1=NC2=C(C(=O)NC=C2Br)C(NC2=CC=C(OC3=CC=CC=C3)C=C2)=N1

> <pd_targets>
{MERTK,FLT3}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type III RTKs: PDGFR",CSFR,
Kit,"FLT3 receptor family"}

> <pathway_reactome>
{Hemostasis,"Signal Transduction","Cell surface interactions at the vascular wall","Signaling by Receptor Tyrosine Kinases","Signaling by Insulin receptor","Insulin receptor signalling cascade","IRS-m
ediated signalling","PI3K Cascade"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{74,G-749,G749,1457983-28-6,1457983286,UNII-B06W426B66,UNIIB06W426B66,B06W426B66,C25H25BrN6O2,GTPL8108,CHEMBL4544478,SCHEMBL15265027,AOB87764,BCP11201,EX-A1074,EXA1074,2183AH,MFCD28167815,s7545,ZINC95
644293,AKOS026750566,CCG-269863,CCG269863,CS-3343,CS3343,NCGC00386412-04,NCGC0038641204,AC-33000,AC33000,BS-15433,BS15433,DA-33613,DA33613,HY-1,HY1,T2620}

> <pdid>
PD021556

> <targets>
{FLT3,"Aurora B",RET,"FLT3 (D835Y)",Mer}

> <classes>
{"Cell Cycle/Checkpoint",Angiogenesis,Apoptosis,"Tyrosine Kinase/Adaptors",Chromatin/Epigenetic}

> <pubchem_cids>
{78357765}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 33 36  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
   -2.5981   -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
   -2.6012    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
   -6.5053    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
   -7.8070    5.9859    0.0000 Cl  0  0
   -5.2141    7.4949    0.0000 Cl  0  0
   -2.6109    6.0039    0.0000 F   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8915    3.7585    0.0000 C   0  0
    3.8863    5.2585    0.0000 C   0  0
    2.5847    6.0040    0.0000 N   0  0
    1.2883    5.2495    0.0000 C   0  0
    1.2934    3.7495    0.0000 C   0  0
    2.5764    7.5048    0.0000 C   0  0
    3.8715    8.2616    0.0000 O   0  0
    1.2730    8.2489    0.0000 C   0  0
    1.2647    9.7488    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  6  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 16 21  1  0
 15 22  1  0
  4 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
 27 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25694

> <plate>
PLATE 002

> <well>
B7

> <supplier_cmpd_name>
Poziotinib

> <ctcr_id>
11529

> <supplier_cmpd_id>
.

> <smiles>
COc1c(cc2c(c1)ncnc2Nc1c(c(c(cc1)Cl)Cl)F)OC1CCN(CC1)C(=O)C=C

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

> <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>
{"Signal Transduction","Developmental Biology","Neuronal System","Signaling by GPCR","Nervous system development","Transmission across Chemical Synapses","GPCR downstream signalling","Axon guidance","
Neurotransmitter receptors and postsynaptic signal transmission","G alpha (q) signalling events","Semaphorin interactions","Activation of NMDA receptors and postsynaptic events","Gastrin-CREB signalli
ng pathway via PKC and MAPK","Sema4D in semaphorin signaling","Post NMDA receptor activation events","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","Long-te
rm potentiation"}

> <broad_targets>
{EGFR,ERBB2,ERBB4}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{Poziotinib,1092364-38-9,1092364389,UNII-OEI6OOU6IK,UNIIOEI6OOU6IK,HM781-36B,HM78136B,NOV120101,OEI6OOU6IK,HM-78136B,NOV-120101,MFCD28044290,"1092364-38-9 (free base)","1092364389 (free base)","HM 781
-36B","HM 78136B",HM-781-36B,"Poziotinib (INN)","Poziotinib (HM781-36B)","Poziotinib (HM78136B)",Tube707,C23H21Cl2FN4O3,GTPL7903,SCHEMBL33917,T2630}

> <pdid>
PD012535

> <targets>
{HER2,EGFR,HER1,HER4,Apoptosis}

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

> <pubchem_cids>
{25127713}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 25 28  0  0  0  0            999 V2000
    2.5447   -7.0216    0.0000 C   0  0
    1.7974   -5.7210    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 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 S   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
    2.5964    3.0004    0.0000 C   0  0
    6.4930    3.7570    0.0000 C   0  0
    7.8464    3.1403    0.0000 N   0  0
    8.8465    4.2582    0.0000 C   0  0
    8.0924    5.5549    0.0000 C   0  0
    9.5859    5.6940    0.0000 C   0  0
    7.1890    6.7523    0.0000 C   0  0
    6.6262    5.2383    0.0000 S   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
 11 12  1  0
 12  4  1  0
  7 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 16 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 19  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25695

> <plate>
PLATE 002

> <well>
B8

> <supplier_cmpd_name>
MI-2

> <ctcr_id>
8281

> <supplier_cmpd_id>
.

> <smiles>
CCCc1cc2c(ncnc2s1)N3CCN(CC3)C4=NCC(C)(C)S4

> <pd_targets>
{MEN1,KMT2A}

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

> <pathway_chembl>
{}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer","SMAD2/SMAD3:SMAD4 heterotrimer regula
tes transcription"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{I,MI-2,MI2,1271738-62-5,1271738625,"Menin-MLL inhibitor MI-2","MeninMLL inhibitor MI2","MI-2 (Menin-MLL Inhibitor)","MI2 (MeninMLL Inhibitor)","Menin-MLL Inhibitor 2","MeninMLL Inhibitor 2","MI 2 (Me
nin-MLL Inhibitor)","MI 2 (MeninMLL Inhibitor)",CHEMBL3586089,"MI-2, Menin-MLL inhibitor 2","MI2, MeninMLL inhibitor 2",SCHEMBL12789963,AOB1818,DTXSID40716734,QCR-218,QCR218,CHEBI:124925,BDBM152235,BC
P11053,T2649,HY-15222,MI-2}

> <pdid>
PD003621

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{54765302}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 25 28  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 N   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -0.0072    7.5016    0.0000 C   0  0
    1.2036    8.3653    0.0000 N   0  0
    0.7355    9.7904    0.0000 C   0  0
   -0.7644    9.7856    0.0000 C   0  0
   -0.1382   11.1487    0.0000 C   0  0
   -2.2532    9.6020    0.0000 C   0  0
   -1.2234    8.3576    0.0000 S   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
   -1.2990   -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  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  7  1  0
 10 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
 19 13  1  0
  6 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  4  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25696

> <plate>
PLATE 002

> <well>
B9

> <supplier_cmpd_name>
MI-3

> <ctcr_id>
11950

> <supplier_cmpd_id>
.

> <smiles>
CC(C)c1nc(N2CCN(CC2)C2=NCC(C)(C)S2)c2ccsc2n1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{I,"Menin-MLL inhibitor 3","MeninMLL inhibitor 3",3846AH,ZINC95080576,AKOS026750578,DA-46476,DA46476,FT-0756844,FT0756844,W-6013,W6013,T2643,MI-3}

> <pdid>
PD056145

> <targets>
{Menin-MLL,Apoptosis,Epigenetic Reader Domain}

> <classes>
{Chromatin/Epigenetic,Apoptosis,Epigenetics}

> <pubchem_cids>
{71651135}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 31 35  0  0  0  0            999 V2000
   -5.1639   -7.1162    0.0000 C   0  0
   -3.6967   -7.4283    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
   -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 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
    2.5981    1.5000    0.0000 F   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    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
   -1.2147    3.8589    0.0000 C   0  0
   -0.7532    5.2861    0.0000 N   0  0
   -1.6366    6.4985    0.0000 C   0  0
    0.7459    5.2880    0.0000 C   0  0
    1.7480    6.4042    0.0000 N   0  0
    3.2157    6.0944    0.0000 C   0  0
    3.6813    4.6685    0.0000 N   0  0
    2.6792    3.5523    0.0000 C   0  0
    3.1448    2.1264    0.0000 N   0  0
    1.2115    3.8621    0.0000 C   0  0
   -2.6928   -6.3138    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  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  2  0
 17 18  1  0
 18 19  2  0
 19 10  1  0
 19 13  1  0
 16 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 20  1  0
 30 24  1  0
  6 31  2  0
 31  2  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25697

> <plate>
PLATE 002

> <well>
B10

> <supplier_cmpd_name>
GSK2656157

> <ctcr_id>
7881

> <supplier_cmpd_id>
.

> <smiles>
Cc1cccc(CC(=O)N2CCc3c(F)c(ccc23)c4cn(C)c5ncnc(N)c45)n1

> <pd_targets>
{EIF2AK1,EIF2AK3,CYP2C9,EIF2AK4,EIF2AK2,CYP3A4,RIPK1,MAP3K2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 2","Cytochrome P450 family 3","Other protein kinase group","Cytochrome P450 family 2C","Cytochrome P450 family 3A","TKL protei
n kinase group","STE protein kinase group","Other protein kinase PEK family","Cytochrome P450 2C9","Cytochrome P450 3A4","TKL protein kinase RIPK family","STE protein kinase STE11 family","Other prote
in kinase HRI","Other protein kinase PEK subfamily","Other protein kinase GCN2 subfamily","Other protein kinase PKR","STE protein kinase MEKK2"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Cytochrome P450","Kinases (EC 2.7.x.x)","Receptor kinases","CYP2 family: drug metabolising subset","CYP3 family","STE: Homologs of yeast Sterile 7","Sterile 1
1","Sterile 20 kinases","Other protein kinases","TKL: Tyrosine kinase-like","STE11 family","PEK family","Receptor interacting protein kinase (RIPK) family","Other PEK family kinases","PEK subfamily","
GCN2 subfamily"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Metabolism of proteins",Metabolism,Disease,"Immune System","Cellular responses to stress","Unfolded Protein Response (UPR)","Biological oxidations","Infectio
us disease","Metabolism of lipids","Innate Immune System","Response of EIF2AK1 (HRI) to heme deficiency","PERK regulates gene expression","Phase I - Functionalization of compounds","Response of EIF2AK
4 (GCN2) to amino acid deficiency","Influenza Infection","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Cascades","Cytochrome P450 - arranged by substrate type","NS1 M
ediated Effects on Host Pathways","Biosynthesis of DHA-derived SPMs","Toll Like Receptor 4 (TLR4) Cascade",Xenobiotics,"Inhibition of PKR","Biosynthesis of maresins","MyD88-independent TLR4 cascade","
CYP2E1 reactions","Biosynthesis of maresin-like SPMs","TRIF(TICAM1)-mediated TLR4 signaling","IKK complex recruitment mediated by RIP1"}

> <broad_targets>
{}

> <broad_moa>
{"PERK inhibitor"}

> <synonyms>
{GSK2656157,1337532-29-2,1337532292,GSK-2656157,CHEMBL2441340,C23H21FN6O,SCHEMBL870782,"GSK 2656157",GTPL9544,"PERK inhibitor GSK2656157",EX-A439,EXA439,CHEBI:139047,HMS3652P16,HMS3747M09,HMS3868L13,A
OB87106,BCP09007,2448AH,BDBM50442166,MFCD27997885,s7033,ZINC961,T2654,S7033}

> <pdid>
PD012674

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{53469059}

$$$$
TargetMol_L9000_Apoptosis 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_L9000_Apoptosis Compound Library

> <id>
25698

> <plate>
PLATE 002

> <well>
B11

> <supplier_cmpd_name>
LY-364947

> <ctcr_id>
11450

> <supplier_cmpd_id>
.

> <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_L9000_Apoptosis 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_L9000_Apoptosis Compound Library

> <id>
25699

> <plate>
PLATE 002

> <well>
C2

> <supplier_cmpd_name>
Purvalanol A

> <ctcr_id>
7683

> <supplier_cmpd_id>
.

> <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_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 16 18  0  0  0  0            999 V2000
    4.6379    5.2745    0.0000 O   0  0
    4.3481    3.8028    0.0000 C   0  0
    2.9286    3.3180    0.0000 C   0  0
    2.6395    1.8472    0.0000 C   0  0
    3.7691    0.8603    0.0000 C   0  0
    3.1796   -0.5190    0.0000 S   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 S   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.4008   -2.9088    0.0000 O   0  0
    5.1878    1.3442    0.0000 C   0  0
    5.4777    2.8159    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  4  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  7  1  0
 13 14  2  0
  5 15  1  0
 15 16  2  0
 16  2  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25700

> <plate>
PLATE 002

> <well>
C3

> <supplier_cmpd_name>
kb NB 142-70

> <ctcr_id>
11451

> <supplier_cmpd_id>
.

> <smiles>
Oc1cc2c(sc3c2SCCNC3=O)cc1

> <pd_targets>
{PRKD3,PRKD1,PRKD2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase PKD family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","Protein kinase D (PKD) family"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Sphingolipid metabolism","Sphingolipid de novo biosynthesis"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"B NB 1427","kb NB 142-70","kb NB 14270",1233533-04-4,1233533044,kb-NB142-70,kbNB14270,"3,4-Dihydro-9-hydroxy-(1)benzothieno(2,3-f)-1,4-thiazepin-5(2H)-one","3,4Dihydro9hydroxy(1)benzothieno(2,3f)1,4
thiazepin5(2H)one",CHEMBL1672571,"3,4-Dihydro-9-hydroxy-(1)benzothieno-(2,3-f)-1,4-thiazepin-5(2H)-one",9-hydroxy-3,9hydroxy3,4-dihydro-2H-(1)benzothiolo(2,4dihydro2H(1)benzothiolo(2,3-,3,T2062}

> <pdid>
PD012564

> <targets>
{PKD1,PKD2,PKD3,PKD}

> <classes>
{Apoptosis}

> <pubchem_cids>
{45258277}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 25 28  0  0  0  0            999 V2000
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 N   0  0
   -0.7600   -8.0526    0.0000 C   0  0
   -1.7600   -9.1707    0.0000 C   0  0
   -1.2918  -10.5957    0.0000 C   0  0
    0.1764  -10.9028    0.0000 C   0  0
    0.6478  -12.3277    0.0000 N   0  0
    2.1173  -12.6328    0.0000 C   0  0
    2.5905  -14.0562    0.0000 C   0  0
    4.0598  -14.3582    0.0000 C   0  0
    5.0560  -13.2368    0.0000 N   0  0
    4.5828  -11.8133    0.0000 C   0  0
    3.1136  -11.5114    0.0000 C   0  0
    1.1765   -9.7848    0.0000 C   0  0
    0.7083   -8.3597    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  3  1  0
 11  6  1  0
  1 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 16 24  1  0
 24 25  2  0
 25 13  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25701

> <plate>
PLATE 002

> <well>
C4

> <supplier_cmpd_name>
Serdemetan

> <ctcr_id>
3815

> <supplier_cmpd_id>
.

> <smiles>
C(Cc1c[nH]c2ccccc12)Nc3ccc(Nc4ccncc4)cc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{MDM2}

> <broad_moa>
{"MDM inhibitor"}

> <synonyms>
{Serdemetan,881202-45-5,881202455,"N1-(2-(1H-Indol-3-yl)ethyl)-N4-(pyridin-4-yl)benzene-1,4-diamine","N1(2(1HIndol3yl)ethyl)N4(pyridin4yl)benzene1,4diamine",JNJ-26854165,JNJ26854165,"JNJ-26854165 (Ser
demetan)","JNJ26854165 (Serdemetan)","JNJ 26854165",UNII-ID6YB4W3V8,UNIIID6YB4W3V8,ID6YB4W3V8,C21H20N4,1-N-(2-(1H-indol-3-yl)ethyl)-4-N-pyridin-4-ylbenzene-1,1N(2(1Hindol3yl)ethyl)4Npyridin4ylbenzene1
,T2243,16259,S1172,serdemetan,"JNJ 26854165 (Serdemetan)"}

> <pdid>
PD011105

> <targets>
{E3 Ligase,p53,Apoptosis,E1/E2/E3 Enzyme,MDM-2/p53}

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

> <pubchem_cids>
{11609586}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 20 22  0  0  0  0            999 V2000
    9.0976   -3.7432    0.0000 F   0  0
    7.7985   -2.9932    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 F   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18  8  1  0
 18 12  1  0
  5 19  1  0
 19 20  2  0
 20  2  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25702

> <plate>
PLATE 002

> <well>
C5

> <supplier_cmpd_name>
Spautin-1

> <ctcr_id>
8352

> <supplier_cmpd_id>
.

> <smiles>
Fc1ccc(CNc2ncnc3ccc(F)cc23)cc1

> <pd_targets>
{USP10,USP13,PIK3C3}

> <pathway_gtopdb>
{Enzyme,Protease,Transferase,"Cysteine protease","Cysteine protease CA clan","Cysteine protease C19 family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases","Phosphatidylinositol 3-kinase family"}

> <pathway_reactome>
{"DNA Repair","Signal Transduction","DNA Damage Bypass","Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases","Translesion synthesis by Y family DNA polymerases bypas
ses lesions on DNA template","PIP3 activates AKT signaling","Signaling by Insulin receptor","Termination of translesion DNA synthesis","PTEN Regulation","Insulin receptor signalling cascade","Regulati
on of PTEN stability and activity","IRS-mediated signalling","PI3K Cascade"}

> <broad_targets>
{USP10,USP13}

> <broad_moa>
{"deubiquitinase inhibitor"}

> <synonyms>
{PAUTIN,Spautin-1,Spautin1,1262888-28-7,1262888287,6-Fluoro-N-(4-fluorobenzyl)quinazolin-4-amine,6FluoroN(4fluorobenzyl)quinazolin4amine,"Spautin 1",6-fluoro-N-((4-fluorophenyl)methyl)quinazolin-4-ami
ne,6fluoroN((4fluorophenyl)methyl)quinazolin4amine,CHEMBL2391504,6-Fluoro-N-((4-Fluorophenyl)methyl)-4-quinazolinamine,6FluoroN((4Fluorophenyl)methyl)4quinazolinamine,4-Quinazolinamine,4Quinazolinamin
e,6-fluoro-N-((4-fluorop,6fluoroN((4fluorop,T1937,5197}

> <pdid>
PD003300

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{51037431}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 36 39  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -3.9021   -3.7405    0.0000 C   0  0
   -5.2008   -2.9882    0.0000 N   0  0
   -6.5020   -3.7360    0.0000 C   0  0
   -7.8012   -2.9861    0.0000 C   0  0
   -7.8043   -1.4852    0.0000 O   0  0
   -9.1044   -0.7372    0.0000 C   0  0
   -9.1002   -3.7361    0.0000 C   0  0
   -9.1002   -5.2361    0.0000 C   0  0
   -7.8011   -5.9861    0.0000 C   0  0
   -6.5021   -5.2361    0.0000 C   0  0
  -10.3999   -5.9865    0.0000 N   0  0
  -11.7002   -5.2386    0.0000 C   0  0
  -12.9980   -5.9907    0.0000 C   0  0
  -12.9956   -7.4907    0.0000 O   0  0
  -11.6954   -8.2386    0.0000 C   0  0
  -10.3976   -7.4865    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 N   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -0.0120   -6.0044    0.0000 C   0  0
   -0.0163   -7.5043    0.0000 F   0  0
    1.2894   -5.2585    0.0000 F   0  0
    1.2847   -6.7583    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 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  1  0
 17 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 16  1  0
 21 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 14 30  2  0
 30 31  1  0
 31 32  2  0
 32 12  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25703

> <plate>
PLATE 002

> <well>
C6

> <supplier_cmpd_name>
PND-1186

> <ctcr_id>
11951

> <supplier_cmpd_id>
.

> <smiles>
CNC(=O)c1ccccc1Nc1cc(Nc2c(OC)cc(cc2)N2CCOCC2)ncc1C(F)(F)F

> <pd_targets>
{PTK2,MAPK10,MAPK9}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","CMGC protein kinase group","Tyrosine protein kinase Fak family","CMGC protein kinase MAPK family","CMGC protein kinase JNK 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","Mitogen-activated protein kinases (MAP kinases
)","Non-receptor tyrosine kinases (nRTKs)","JNK subfamily","Fak family"}

> <pathway_reactome>
{Disease,"Immune System","Infectious disease","Innate Immune System","Leishmania infection","Toll-like Receptor Cascades","Parasite infection","Toll Like Receptor 5 (TLR5) Cascade","Leishmania phagocy
tosis","MyD88 cascade initiated on plasma membrane","FCGR3A-mediated phagocytosis","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of tran
scription factors"}

> <broad_targets>
{}

> <broad_moa>
{"focal adhesion kinase inhibitor"}

> <synonyms>
{ND118,PND-1186,PND1186,1061353-68-1,1061353681,VS-4718,VS4718,"PND 1186",SR2516,UNII-L2BD0MW4OL,UNIIL2BD0MW4OL,L2BD0MW4OL,"PND-1186 (VS-4718)","PND1186 (VS4718)",CHEMBL2430358,SR-2156,SR2156,"SR 2516
",SR-2516,"VS 4718",SCHEMBL47360,GTPL8742,CHEMBL3040440,AOB6018,EX-A505,EXA505,C25H26F3N5O3,HMS3673G09,BCP10711,2664AH,T1950}

> <pdid>
PD003237

> <targets>
{FAK,Apoptosis}

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

> <pubchem_cids>
{25073775}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 31 33  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 C   0  0
    3.9020    3.7405    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
    5.2111    5.9837    0.0000 N   0  3
    6.5065    5.2274    0.0000 O   0  0
    5.2189    7.4837    0.0000 O   0  5
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
   -2.5764   -7.5048    0.0000 N   0  3
   -1.2737   -8.2485    0.0000 O   0  0
   -3.8715   -8.2616    0.0000 O   0  5
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
  7 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 25 28  1  0
 28 29  2  0
 28 30  1  0
 20 31  1  0
 31  5  1  0
M  CHG  4  15   1  17  -1  28   1  30  -1
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25704

> <plate>
PLATE 002

> <well>
C7

> <supplier_cmpd_name>
B-AP15

> <ctcr_id>
11456

> <supplier_cmpd_id>
.

> <smiles>
C=CC(=O)N1C/C(=C\c2ccc(cc2)[N+](=O)[O-])/C(=O)/C(=C/c2ccc(cc2)[N+](=O)[O-])/C1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AP1,b-AP15,bAP15,1009817-63-3,1009817633,NSC687852,"NSC 687852","(3E,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)piperidin-4-one","(3E,5E)1Acryloyl3,5bis(4nitrobenzylidene)piperidin4one","NSC 687852 (b
-AP15)","NSC 687852 (bAP15)","(3E,5E)-3,5-bis((4-nitrophenyl)methylidene)-1-prop-2-enoylpiperidin-4-one","(3E,5E)3,5bis((4nitrophenyl)methylidene)1prop2enoylpiperidin4one",(3E,5E)-1-acryloyl-3,5E)1acr
yloyl3,5-bis(4-nitrobenzylid,5bis(4nitrobenzylid,T1932,B-AP15}

> <pdid>
PD012655

> <targets>
{UCH-L5}

> <classes>
{Ubiquitination}

> <pubchem_cids>
{5351435}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 39 43  0  0  0  0            999 V2000
    5.2121    2.9948    0.0000 C   0  0
    5.2066    1.4948    0.0000 C   0  0
    3.9046    0.7483    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 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 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   -5.2404    0.0000 N   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -5.2111   -5.9837    0.0000 C   0  0
   -5.2189   -7.4837    0.0000 O   0  0
   -6.5072   -5.2269    0.0000 C   0  0
   -7.8111   -5.9702    0.0000 O   0  0
   -9.1071   -5.2134    0.0000 C   0  0
  -10.4114   -5.9544    0.0000 C   0  0
  -11.7052   -5.1954    0.0000 C   0  0
  -11.6948   -3.6954    0.0000 C   0  0
  -12.9887   -2.9365    0.0000 Cl  0  0
  -10.3906   -2.9544    0.0000 C   0  0
   -9.0968   -3.7134    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19 20  2  3
 20 10  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 23  1  0
 26 29  1  0
 29 30  2  0
 29 31  1  0
 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  2  0
 39 33  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25705

> <plate>
PLATE 002

> <well>
C8

> <supplier_cmpd_name>
Erastin

> <ctcr_id>
1289

> <supplier_cmpd_id>
.

> <smiles>
CCOc1ccccc1N2C(=O)c3ccccc3N=C2C(C)N4CCN(CC4)C(=O)COc5ccc(Cl)cc5

> <pd_targets>
{VDAC2,SLC7A11}

> <pathway_gtopdb>
{"Ion channel",Transporter,"Other ion channel","Electrochemical transporter","Mitochondrial and plastid porin family","SLC superfamily of solute carriers","Voltage-dependent anion-selective channel","
SLC03 and SLC07 families of heteromeric amino acid transporters (HATs)","SLC07 Cationic amino acid transporter/glycoprotein-associated family"}

> <pathway_chembl>
{Transporters,"SLC superfamily of solute carriers","SLC3 and SLC7 families of heteromeric amino acid transporters (HATs)","SLC7 family"}

> <pathway_reactome>
{"Metabolism of proteins","Transport of small molecules","Post-translational protein modification","SLC-mediated transmembrane transport",Deubiquitination,"Transport of inorganic cations/anions and am
ino acids/oligopeptides","Ub-specific processing proteases","Amino acid transport across the plasma membrane"}

> <broad_targets>
{VDAC2}

> <broad_moa>
{"ion channel antagonist"}

> <synonyms>
{ERASTIN,571203-78-6,571203786,MFCD09837984,CHEMBL401989,SCHEMBL4457820,"Erastin, >=98 (HPLC)",CHEBI:94287,AOB6043,DTXSID80458949,EX-A295,EXA295,HMS3653K21,HMS3868M03,BCP27907,2400AH,BDBM50376126,s724
2,AKOS025147365,CCG-269987,CCG269987,CS-1675,CS1675,"Erastin - CAS 571203-78-6","Erastin  CAS 571203786",SB19,T1765,E7781,S7242,Erastin,erastin}

> <pdid>
PD003697

> <targets>
{Ferroptosis}

> <classes>
{Metabolism}

> <pubchem_cids>
{11214940}

$$$$
TargetMol_L9000_Apoptosis 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_L9000_Apoptosis Compound Library

> <id>
25706

> <plate>
PLATE 002

> <well>
C9

> <supplier_cmpd_name>
Nutlin-3

> <ctcr_id>
4618

> <supplier_cmpd_id>
.

> <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_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 17 18  0  0  0  0            999 V2000
   -0.2237   -5.5078    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 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8983    0.7459    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    4.8036   -3.1167    0.0000 C   0  0
    4.8086   -5.7145    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  2  0
 13  3  1  0
 13  6  1  0
  4 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25707

> <plate>
PLATE 002

> <well>
C10

> <supplier_cmpd_name>
TG003

> <ctcr_id>
7750

> <supplier_cmpd_id>
.

> <smiles>
CCN1\C(Sc2ccc(OC)cc12)=C\C(C)=O

> <pd_targets>
{HSD17B10,CLK4,CLK2,NFKB1,DYRK1A,MAPT,KMT2A,MEN1,CYP3A4,CLK1,ALDH1A1,THPO,HPGD,NPSR1,BLM,LMNA,CSNK1D,CSNK1G2,CSNK1G3,DYRK1B,PIM1,PIM3,CSNK1E,MAP3K19,BRD7,CLK3,HTT,L3MBTL1,PMP22,BRD9}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator","Unclassified protein","Membrane receptor","Other nuclear protein",Oxidoreductase,Kinase,Reader,"Cytochrome P450","Family A G protein-coupled r
eceptor","Protein Kinase",Bromodomain,"Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Methyl-lysine/arginine binding protein","CMGC protein kinase group","Cytochrome P450 family 3A","Sh
ort peptide receptor (family A GPCR)","CK1 protein kinase group","CAMK protein kinase group","STE protein kinase group","MBT domain","CMGC protein kinase CLK family","CMGC protein kinase DYRK family",
"Cytochrome P450 3A4","Neuropeptide receptor","CK1 protein kinase CK1 family","CAMK protein kinase PIM family","STE protein kinase STE11 family","CMGC protein kinase Dyrk1 subfamily","CK1 protein kina
se CK1-g"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Cytochrome P450","Eicosanoid turnover","G protein-coupled receptors","Chromatin modifying enzymes","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 fami
ly","Prostaglandin synthases","Neuropeptide S receptor","CK1: Casein kinase 1","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases"
,"Enzymatic bromodomain-containing proteins","CLK family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Casein kinase 1 (CK1) family","PIM family","STE20 family","Bro
modomain kinase (BRDK) family","Dyrk1 subfamily","STE20 subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System","Cell Cycle","Neuronal System",Hemostasis,Disease,"DNA Repair","Gene expression (Transcription)","Developmental Biology","Metabolism of amino acids and derivatives","Cytoki
ne Signaling in Immune system",Mitotic,"Transmission across Chemical Synapses","Metabolism of lipids","Biological oxidations","Platelet activation","signaling and aggregation","Infectious disease","DN
A Double-Strand Break Repair","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Nervous system development","Branched-chain amino ac
id catabolism","Signaling by Interleukins","Mitotic G1 phase and G1/S transition","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators 
(SPMs)","Phase I - Functionalization of compounds","Platelet Aggregation (Plug Formation)","Leishmania infection","Homology Directed Repair","M Phase","Mitotic G2-G2/M phases","Sphingolipid metabolism
","FLT3 signaling in disease","Generic Transcription Pathway","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Interleukin-1 family signaling","G0 and Early G1","Activation of NMDA re
ceptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Leishmania parasite growth and survival","HDR through Homologous Recombination (HRR) or Single Strand Annealing
 (SSA)","Mitotic Metaphase and Anaphase","G2/M Transition","Sphingolipid de novo biosynthesis","Signaling by FLT3 ITD and TKD mutants","Transcriptional Regulation by TP53","Transcriptional Regulation 
by MECP2","Interleukin-1 signaling","Post NMDA receptor activation events","Biosynthesis of maresins","Biosynthesis of D-series resolvins","Anti-inflammatory response favouring Leishmania parasite inf
ection","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Centrosome maturation","STAT5 activation downstream of FLT3 ITD mutants","Regulation of TP53 Activity","Regulation of MECP2 exp
ression and activity","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines productio
n","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","Loss of proteins required for interphase microtubule organization from the centrosome","Regulation of TP53 Activity 
through Acetylation","Regulation of TP53 Activity through Methylation","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp 
from mitotic centrosomes"}

> <broad_targets>
{CLK1,CLK4,DYRK1A,DYRK1B}

> <broad_moa>
{"CLK inhibitor"}

> <synonyms>
{TG003,TG-003,"TG 003",300801-52-9,300801529,"300801 52 9","Cdc2-Like kinase inhibitor","Cdc2Like kinase inhibitor","Cdc2 Like kinase inhibitor","Cdc2-Like Kinase Inhibitor, TG003","Cdc2Like Kinase In
hibitor, TG003","Cdc2 Like Kinase Inhibitor","EMD 219479",219479}

> <pdid>
PD002657

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{1893668}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 31 34  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  2  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0031   -3.0008    0.0000 C   0  0
    1.3032   -3.7490    0.0000 O   0  0
   -1.2946   -3.7531    0.0000 C   0  0
   -5.1968    1.5003    0.0000 C   0  0
   -5.1993    3.0004    0.0000 C   0  0
   -6.4995    3.7483    0.0000 C   0  0
   -7.7974    2.9963    0.0000 C   0  0
   -7.7950    1.4963    0.0000 C   0  0
   -6.4948    0.7483    0.0000 C   0  0
   -9.0999    3.7419    0.0000 C   0  0
  -10.3966    2.9880    0.0000 O   0  0
   -9.1049    5.2419    0.0000 O   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
    2.6004    2.9949    0.0000 C   0  0
    5.2088    5.9860    0.0000 Cl  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11  2  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
  7 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
  4 24  1  6
 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
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25708

> <plate>
PLATE 002

> <well>
C11

> <supplier_cmpd_name>
GSK1324726A

> <ctcr_id>
11952

> <supplier_cmpd_id>
.

> <smiles>
C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c1ccc(cc1)C(=O)O)Nc1ccc(cc1)Cl

> <pd_targets>
{TAF1L,BRD3,BRD4,TAF1,CREBBP,PBRM1,BRD2,CYP2C9,CYP3A4,TRIM24,BRDT,CYP2C19,EP300,TRIM33,BRWD1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Writer,"Cytochrome P450",Bromodomain,"Histone acetyltransferase","Cytochrome P450 family 2","Cytochrome P450 family 3","Methyl-lysine/arginine binding protein","p
300/CBP family","Cytochrome P450 family 2C","Cytochrome P450 family 3A","WDR domain","Cytochrome P450 2C9","Cytochrome P450 3A4","Cytochrome P450 2C19"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Chromatin modifying enzymes","Bromodomain-containing proteins","Cytochrome P450","Enzymatic bromodomain-containing proteins","Non-enzymatic BRD containing proteins","
CYP2 family: drug metabolising subset","CYP3 family","TAF1 family","Bromodomain kinase (BRDK) family","TIF1 family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)",Metabolism,"Immune System","Infectious disease","RNA Polymerase II Transcription","Biological oxidations","Metabolism of lipids","Diseases of signal transduc
tion by growth factor receptors and second messengers","Cytokine Signaling in Immune system","HIV Infection","SARS-CoV Infections","Generic Transcription Pathway","Phase I - Functionalization of compo
unds","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by FGFR in disease","Signaling by Interleukins","HIV Life Cycle","Potential therapeutics for SARS","Transcriptional Regulat
ion by TP53","Transcriptional regulation by RUNX1","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Signaling by FGFR1 in diseas
e","Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer","Interleukin-7 signaling","Late Phase of HIV Life Cycle","TP53 Regulates Transcription of Cell Death Genes","RUNX1 interacts with co-fac
tors whose precise effect on RUNX1 targets is not known","RUNX3 regulates p14-ARF",Xenobiotics,"Biosynthesis of maresins","FGFR1 mutant receptor activation","Regulation of TP53 Activity","Downregulati
on of SMAD2/3:SMAD4 transcriptional activity","Transcription of the HIV genome","TP53 Regulates Transcription of Genes Involved in Cytochrome C Release","CYP2E1 reactions","Biosynthesis of maresin-lik
e SPMs","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Activity through Acetylation","HIV Transcription Initiation","PI5P Regulates TP53 Acetylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{GSK1324726A,1300031-52-0,1300031520,I-BET-726,IBET726,CHEMBL2177300,"GSK1324726A (I-BET726)","GSK1324726A (IBET726)",C25H23ClN2O3,GSK-1324726A,4bjx,4uyf,4uyg,73B,SCHEMBL1906368,AOB87104,EX-A2221,EXA2
221,2444AH,BDBM50028142,"GSK 1324726A",MFCD28144683,NSC782763,s7620,ZINC95504909,CCG-269073,CCG269073,CS-,CS,T6021}

> <pdid>
PD021582

> <targets>
{BRD2,BRD3,BRD4}

> <classes>
{Chromatin/Epigenetic}

> <pubchem_cids>
{52912222}

$$$$
TargetMol_L9000_Apoptosis 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_L9000_Apoptosis Compound Library

> <id>
25709

> <plate>
PLATE 002

> <well>
D2

> <supplier_cmpd_name>
Lorlatinib

> <ctcr_id>
11907

> <supplier_cmpd_id>
.

> <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_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 47 47  0  0  0  0            999 V2000
   -0.0185  -10.4926    0.0000 C   0  0
    1.2834   -9.7475    0.0000 O   0  0
    2.5808  -10.5021    0.0000 C   0  0
    2.5756  -12.0020    0.0000 O   0  0
    3.8834   -9.7566    0.0000 C   0  0
    5.1807  -10.5111    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4889   -5.2601    0.0000 C   0  0
    6.4894   -3.7592    0.0000 C   0  0
    5.6234   -3.2592    0.0000 O   0  0
    7.7889   -3.0084    0.0000 O   0  0
    7.7894   -1.5084    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
    7.7815  -10.5187    0.0000 C   0  0
    9.0819   -9.7710    0.0000 O   0  0
    7.7794  -12.0195    0.0000 N   0  0
    9.0776  -12.7726    0.0000 C   0  0
   10.3771  -12.0218    0.0000 C   0  0
   10.3776  -10.5218    0.0000 C   0  0
   11.6762  -12.7718    0.0000 C   0  0
    9.0755  -14.2734    0.0000 C   0  0
    7.7751  -15.0212    0.0000 O   0  0
   10.3737  -15.0265    0.0000 N   0  0
   10.3716  -16.5273    0.0000 C   0  0
   11.6698  -17.2804    0.0000 C   0  0
   11.6676  -18.7813    0.0000 C   0  0
   10.3673  -19.5290    0.0000 O   0  0
   12.9658  -19.5343    0.0000 O   0  0
   12.9637  -21.0343    0.0000 C   0  0
    9.0720  -17.2782    0.0000 C   0  0
    7.7730  -16.5282    0.0000 O   0  0
    9.0716  -18.7790    0.0000 C   0  0
    7.7728  -19.5294    0.0000 F   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  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 11 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  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
  7 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 31 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  1  0
 38 44  1  0
 44 45  2  0
 44 46  1  0
 46 47  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25710

> <plate>
PLATE 002

> <well>
D3

> <supplier_cmpd_name>
Z-DEVD-FMK

> <ctcr_id>
4355

> <supplier_cmpd_id>
.

> <smiles>
COC(=O)CCC(NC(=O)C(CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)NC(C(C)C)C(=O)NC(CC(=O)OC)C(=O)CF

> <pd_targets>
{REP,CASP3}

> <pathway_gtopdb>
{Enzyme,Transferase,Protease,"Cysteine protease","Cysteine protease CD clan","Cysteine protease C14 family","Cysteine protease C14A subfamily"}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Anti-infective targets","Peptidases and proteinases","Viral protein targets","CD: Cysteine (C) Peptidases","Coronavirus (CoV) proteins","C14: Caspase"}

> <pathway_reactome>
{Disease,"Programmed Cell Death","Infectious disease",Apoptosis,"SARS-CoV Infections","Intrinsic Pathway for Apoptosis","SARS-CoV-2 Infection","Apoptotic factor-mediated response","SARS-CoV-2 Genome R
eplication and Transcription","Cytochrome c-mediated apoptotic response","Replication of the SARS-CoV-2 genome","Activation of caspases through apoptosome-mediated cleavage"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Caspase-3 Inhibitor","Caspase3 Inhibitor","Caspase-3 Inhibitor II","Caspase3 Inhibitor II",BDBM420303,T6005,S7312,Z-DEVD-FMK}

> <pdid>
PD019120

> <targets>
{Caspase}

> <classes>
{}

> <pubchem_cids>
{73325061}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 35 37  0  0  0  0            999 V2000
    6.1430  -15.4396    0.0000 C   0  0
    4.8455  -14.6869    0.0000 C   0  0
    4.8477  -13.1861    0.0000 O   0  0
    3.5518  -12.4343    0.0000 C   0  0
    2.1768  -13.0338    0.0000 O   0  0
    1.1817  -11.9114    0.0000 C   0  0
   -0.3112  -12.0567    0.0000 O   0  0
    1.9417  -10.6182    0.0000 C   0  0
    3.3901  -10.9559    0.0000 C   0  0
    4.5111   -9.9579    0.0000 N   0  0
    4.2083   -8.4880    0.0000 C   0  0
    2.7845   -8.0160    0.0000 O   0  0
    5.3273   -7.4917    0.0000 C   0  0
    6.7945   -7.8036    0.0000 C   0  0
    7.5445   -6.5046    0.0000 C   0  0
    6.5408   -5.3899    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  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
    5.1929   -3.0062    0.0000 C   0  0
    5.1933   -1.5062    0.0000 C   0  0
    6.4920   -2.2564    0.0000 C   0  0
    6.4919   -3.7562    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 13  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 29 31  2  0
 31 24  1  0
 20 32  1  0
 32 33  1  0
 32 34  1  0
 32 35  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25711

> <plate>
PLATE 002

> <well>
D4

> <supplier_cmpd_name>
Belnacasan

> <ctcr_id>
4706

> <supplier_cmpd_id>
.

> <smiles>
CCOC1OC(=O)CC1NC(=O)C2CCCN2C(=O)C(NC(=O)c3ccc(N)c(Cl)c3)C(C)(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{CASP1}

> <broad_moa>
{"caspase inhibitor"}

> <synonyms>
{273404-38-9,273404389,371126-03-3,371126033,SCHEMBL478320,HMS3651C16,AK174935,T6090,S2228,Belnacasan,VX-765}

> <pdid>
PD012777

> <targets>
{Caspase}

> <classes>
{Apoptosis}

> <pubchem_cids>
{9892498}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 28 31  0  0  0  0            999 V2000
   -1.1509   -2.6325    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    0.7960   -4.3861    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6017    2.9971    0.0000 O   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0080    6.0003    0.0000 C   0  0
   -0.0080    7.5003    0.0000 C   0  0
   -1.3071    8.2503    0.0000 C   0  0
   -2.6061    7.5003    0.0000 N   0  0
   -2.6061    6.0003    0.0000 C   0  0
   -3.9074    5.2525    0.0000 N   0  0
   -5.2060    6.0048    0.0000 C   0  0
   -6.5073    5.2571    0.0000 C   0  0
   -7.8064    6.0070    0.0000 C   0  0
   -9.1055    5.2571    0.0000 C   0  0
   -9.1055    3.7571    0.0000 N   0  0
   -7.8065    3.0070    0.0000 C   0  0
   -6.5075    3.7570    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
  8 26  2  0
 26 27  1  0
 27 28  2  0
 28  2  1  0
 28  6  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25712

> <plate>
PLATE 002

> <well>
D5

> <supplier_cmpd_name>
Motesanib

> <ctcr_id>
2084

> <supplier_cmpd_id>
.

> <smiles>
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc4ccncc4)ccc12

> <pd_targets>
{KDR,ABL1,FGR,FLT1,FLT4,FLT3,EGFR,SLK,BLK,BRAF,MAP3K19,MAP3K7,MAP3K20,AURKC,RET,FRK,KIT,PDGFRB,YES1,LYN,PDGFRA,STK10,EPHA6,CIT,LCK,FYN,EIF2AK4,ABL2,CSF1R,RIPK2,JAK1,MAP3K2,HCK,PTK6,RAF1,FGFR1,MAP4K4,T
NNI3K,FGFR4,STK35,MAP3K3,DDR1,EPHA7}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","STE protein kinase group","TKL protein kinase group","Other protein kinase group","AGC protein kinase group","Tyrosine protein kinase VEGFR f
amily","Tyrosine protein kinase Abl family","Tyrosine protein kinase Src family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase EGFR family","STE protein kinase STE20 family","TKL pro
tein kinase RAF family","STE protein kinase STE11 family","TKL protein kinase MLK family","Other protein kinase AUR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Eph family","A
GC protein kinase DMPK family","Other protein kinase PEK family","TKL protein kinase RIPK family","Tyrosine protein kinase JakA family","Tyrosine protein kinase FGFR family","Other protein kinase NKF4
 family","Tyrosine protein kinase DDR family","STE protein kinase SLK subfamily","TKL protein kinase TAK1 subfamily","TKL protein kinase MLK subfamily","AGC protein kinase CRIK subfamily","Tyrosine pr
otein kinase SrcA","Other protein kinase GCN2 subfamily","STE protein kinase MEKK2","STE protein kinase MSN subfamily","TKL protein kinase HH498 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","TK: Ty
rosine kinase","STE20 family","TKL: Tyrosine kinase-like","Other protein kinases","DMPK family","STE11 family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","SLK subfamily
","RAF family","STE20 subfamily","Mixed Lineage Kinase (MLK) family","Aurora kinase (Aur) family","Other DMPK family kinases","PEK family","Receptor interacting protein kinase (RIPK) family","MSN subf
amily","NKF4 family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Abl family","Src family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I RTKs: ErbB (epid
ermal growth factor) receptor family","TAK1 subfamily","MLK subfamily","Type XIV RTKs: RET","Type XIII RTKs: Ephrin receptor family","GCN2 subfamily","Janus kinase (JakA) family","Type V RTKs: FGF (fi
broblast growth factor) receptor family","HH498 subfamily","Type XVI RTKs: DDR (collagen receptor) family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Gene expression (Transcription)","Immune System","Developmental Biology","Cellular responses to external stimuli","Cell Cycle","Extracellular matrix organization","Sign
aling by Receptor Tyrosine Kinases","Infectious disease","Signaling by GPCR","RNA Polymerase II Transcription","Innate Immune System","Nervous system development","Intracellular signaling by second me
ssengers","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Rho GTPases","Cellular responses to stress","Cytokine Signaling in Immune system",Mitotic,"MA
PK family signaling cascades","Non-integrin membrane-ECM interactions","Signaling by VEGF","Leishmania infection","Signaling by Insulin receptor","GPCR downstream signalling","Generic Transcription Pa
thway","Signaling by NTRKs","Toll-like Receptor Cascades","Axon guidance","PIP3 activates AKT signaling","Signaling by KIT in disease","Signaling by PDGFR in disease","Neutrophil degranulation","RHO G
TPase Effectors","HIV Infection","Response of EIF2AK4 (GCN2) to amino acid deficiency","Interferon Signaling","Mitotic G1 phase and G1/S transition","MAPK1/MAPK3 signaling","Signaling by FGFR in disea
se","Cellular Senescence","Signaling by FGFR","Signaling by Interleukins","VEGFA-VEGFR2 Pathway","Parasite infection","Leishmania parasite growth and survival","VEGF ligand-receptor interactions","Ins
ulin receptor signalling cascade","G alpha (q) signalling events","Transcriptional regulation by RUNX1","Signaling by NTRK1 (TRKA)","Toll Like Receptor 4 (TLR4) Cascade","RET signaling","PTEN Regulati
on","Drug resistance of KIT mutants","Negative regulation of the PI3K/AKT network","Drug resistance of PDGFR mutants","EPH-Ephrin signaling","RHO GTPases activate CIT","Host Interactions of HIV factor
s","Signaling by ROBO receptors","Transcriptional Regulation by VENTX","Toll Like Receptor 5 (TLR5) Cascade","Antiviral mechanism by IFN-stimulated genes","G1 Phase","RAF/MAP kinase cascade","Signalin
g by FGFR1 in disease","Oxidative Stress Induced Senescence","Signaling by FGFR4","Interleukin-1 family signaling","VEGFR2 mediated cell proliferation","Leishmania phagocytosis","Anti-inflammatory res
ponse favouring Leishmania parasite infection","VEGF binds to VEGFR leading to receptor dimerization","IRS-mediated signalling","Gastrin-CREB signalling pathway via PKC and MAPK","RUNX1 regulates tran
scription of genes involved in BCR signaling","Signalling to ERKs","MyD88-independent TLR4 cascade","Regulation of PTEN stability and activity","Dasatinib-resistant KIT mutants",PI5P,"PP2A and IER3 Re
gulate PI3K/AKT Signaling","Imatinib-resistant PDGFR mutants","EPHA-mediated growth cone collapse","The role of Nef in HIV-1 replication and disease pathogenesis","Role of ABL in ROBO-SLIT signaling",
"MyD88 cascade initiated on plasma membrane","ISG15 antiviral mechanism","Cyclin D associated events in G1","Negative regulation of MAPK pathway","FGFR1 mutant receptor activation","Downstream signali
ng of activated FGFR4","Interleukin-1 signaling","FCGR3A-mediated phagocytosis","FCGR3A-mediated IL10 synthesis","PI3K Cascade","EGFR Transactivation by Gastrin","Prolonged ERK activation events","TRI
F(TICAM1)-mediated TLR4 signaling","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Nef and signal transduction","MAP kinase activation","Negative feed
back regulation of MAPK pathway","Signaling by activated point mutants of FGFR1","FRS-mediated FGFR4 signaling","ARMS-mediated activation","TRAF6-mediated induction of TAK1 complex within TLR4 complex
","Nef Mediated CD4 Down-regulation","activated TAK1 mediates p38 MAPK activation"}

> <broad_targets>
{FLT1,FLT4,KDR,KIT}

> <broad_moa>
{"KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor","VEGFR inhibitor"}

> <synonyms>
{"OTESANIB (AMG706",Motesanib,453562-69-1,453562691,"AMG 706","N-(3,3-dimethylindolin-6-yl)-2-(pyridin-4-ylmethylamino)nicotinamide","N(3,3dimethylindolin6yl)2(pyridin4ylmethylamino)nicotinamide",AMG7
06,UNII-U1JK633AYI,UNIIU1JK633AYI,U1JK633AYI,CHEBI:51098,"453562-69-1 (free base)","453562691 (free base)",C22H23N5O,"Motesanib (USAN:INN)","Motesanib (AMG-706)","Motesanib (AMG706)",Mo,T2288,SY-Motes
anib,"Motesanib   (AMG-706)",MOTESANIB}

> <pdid>
PD012969

> <targets>
{c-Kit,PDGFR,VEGFR,KIT,VEGFR1/2/3}

> <classes>
{}

> <pubchem_cids>
{11667893}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 10  8  0  0  0  0            999 V2000
    3.9000    0.7500    0.0000 C   0  0
    2.6000    1.5000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 N   0  0
    5.2000    1.5000    0.0000 C   0  0
    6.5000    0.7500    0.0000 S   0  0
    7.7999    1.5000    0.0000 C   0  0
    9.0992    0.7504    0.0000 N   0  0
    7.7999    3.0000    0.0000 N   0  0
   11.5999    1.5004    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  3  0
  1  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25713

> <plate>
PLATE 002

> <well>
D6

> <supplier_cmpd_name>
Kevetrin hydrochloride

> <ctcr_id>
11953

> <supplier_cmpd_id>
.

> <smiles>
C(CC#N)CSC(=N)N.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"p53 activator"}

> <synonyms>
{"Kevetrin hydrochloride",66592-89-0,66592890,"Kevetrin Hcl",KEVETRIN,"Kevetrin (hydrochloride)",UNII-NL6L2371DP,UNIINL6L2371DP,"4-Isothioureidobutyronitrile hydrochloride","4Isothioureidobutyronitril
e hydrochloride","NSC 525990","66592-89-0 (HCl)","66592890 (HCl)",NL6L2371DP,500863-50-3,500863503,"3-Cyanopropyl carbamimidot","3Cyanopropyl carbamimidot",T3184}

> <pdid>
PD058628

> <targets>
{Mdm2,p53,MDM-2/p53}

> <classes>
{Apoptosis}

> <pubchem_cids>
{49778916}

$$$$
TargetMol_L9000_Apoptosis 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_L9000_Apoptosis Compound Library

> <id>
25714

> <plate>
PLATE 002

> <well>
D7

> <supplier_cmpd_name>
Nutlin-3a

> <ctcr_id>
4618

> <supplier_cmpd_id>
.

> <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_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 28 20  0  0  0  0            999 V2000
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 P   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  0
    0.0011    1.5002    0.0000 O   0  5
    3.9000    0.7500    0.0000 P   0  0
    5.1992    0.0004    0.0000 O   0  0
    3.9000    2.2500    0.0000 O   0  0
    5.1989    1.5002    0.0000 O   0  5
    2.6000   -1.5000    0.0000 Cl  0  0
    1.3011   -0.7502    0.0000 Cl  0  0
   27.8999    0.3750    0.0000 O   0  0
   25.3999    0.3750    0.0000 Na  0  3
   10.2999    0.0000    0.0000 C   0  0
    9.0000    0.7500    0.0000 P   0  0
    7.7007    0.0004    0.0000 O   0  0
    9.0000    2.2500    0.0000 O   0  0
    7.7010    1.5002    0.0000 O   0  5
   11.5999    0.7500    0.0000 P   0  0
   12.8992    0.0004    0.0000 O   0  0
   11.5999    2.2500    0.0000 O   0  0
   12.8988    1.5002    0.0000 O   0  5
   10.2999   -1.5000    0.0000 Cl  0  0
    9.0010   -0.7502    0.0000 Cl  0  0
   22.8999    0.3750    0.0000 O   0  0
   20.3999    0.3750    0.0000 Na  0  3
   17.8999    0.3750    0.0000 O   0  0
   15.3999    0.3750    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  2  5  1  0
  1  6  1  0
  6  7  2  0
  6  8  1  0
  6  9  1  0
  1 10  1  0
  1 11  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 15 18  1  0
 14 19  1  0
 19 20  2  0
 19 21  1  0
 19 22  1  0
 14 23  1  0
 14 24  1  0
M  CHG  6   5  -1   9  -1  13   1  18  -1  22  -1  26   1
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25715

> <plate>
PLATE 002

> <well>
D8

> <supplier_cmpd_name>
Disodium clodronate tetrahydrate

> <ctcr_id>
11231

> <supplier_cmpd_id>
.

> <smiles>
C(P(=O)(O)[O-])(P(=O)(O)[O-])(Cl)Cl.O.[Na+].C(P(=O)(O)[O-])(P(=O)(O)[O-])(Cl)Cl.O.[Na+].O.O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{T3280,"Disodium clodronate tetrahydrate"}

> <pdid>
PD015225

> <targets>
{IL-1¦Â,IL-6,TNF-¦Á}

> <classes>
{Apoptosis,Immunology/Inflammation}

> <pubchem_cids>
{133640198}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 20 19  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6999    0.7500    0.0000 C   0  0
   12.9999    0.0000    0.0000 C   0  0
   14.2999    0.7500    0.0000 C   0  0
   15.5999    0.0000    0.0000 C   0  0
   16.8999    0.7500    0.0000 C   0  0
   18.1999    0.0000    0.0000 C   0  0
   19.4998    0.7500    0.0000 C   0  0
   20.7998    0.0000    0.0000 C   0  0
   22.0998    0.7500    0.0000 C   0  0
   23.3991    1.4996    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  3  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25716

> <plate>
PLATE 002

> <well>
D9

> <supplier_cmpd_name>
Parthenolide

> <ctcr_id>
8275

> <supplier_cmpd_id>
.

> <smiles>
OC(=O)CCCCCCCCCCCCCCCC#C

> <pd_targets>
{CYP2D6,CYP2C19,CYP2C9,MAPT,CYP1A2,HSD17B10,CYP4F2,LEF}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Cytochrome P450",Oxidoreductase,Protease,"Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 4","Metallo protease","Cytochrome P450 family 
2D","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 family 4F","Metallo protease MAE clan","Cytochrome P450 2D6","Cytochrome P450 2C19","Cytochrome P450 2C9","Cytochrome P450 
1A1","Cytochrome P450 4F2","Metallo protease M34 family"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset","CYP1 family","CYP4 family"}

> <pathway_reactome>
{Metabolism,"Neuronal System",Disease,"Biological oxidations","Transmission across Chemical Synapses","Metabolism of amino acids and derivatives","Infectious disease","Phase I - Functionalization of c
ompounds","Neurotransmitter receptors and postsynaptic signal transmission","Branched-chain amino acid catabolism","Uptake and actions of bacterial toxins","Cytochrome P450 - arranged by substrate typ
e","Activation of NMDA receptors and postsynaptic events","Uptake and function of anthrax toxins",Xenobiotics,"Post NMDA receptor activation events",Eicosanoids,"CYP2E1 reactions","Activation of AMPK 
downstream of NMDARs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"7OCTADECYNOIC ACI","17-octadecynoic acid","17octadecynoic acid",34450-18-5,34450185,"Octadec-17-ynoic acid","Octadec17ynoic acid","Alkynyl Stearic Acid",17-ODYA,17ODYA,MFCD00077382,17-OCTADECYNOICAC
ID,17OCTADECYNOICACID,SR-01000597622,SR01000597622,Tocris-0607,Tocris0607,"17-octadecyn-1-oic acid","17octadecyn1oic acid",CBiol_001996,CBiol001996,CBiol-001996,"CBiol 001996",BSPBio_001367,BSPBio0013
67,BSPBio-001367,"BSPBio 001367",KBioGR_000087,KBioGR000087,KBioGR-000087,"KBioGR 000087",KBioSS_000087,KBioSS000087,KBioSS-000087,"KBioSS 000087",SC,90270,parthenolide}

> <pdid>
PD020042

> <targets>
{Apoptosis,Autophagy,Mitophagy,NF-ºB}

> <classes>
{Apoptosis,Autophagy,NF-ºB}

> <pubchem_cids>
{1449}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 44 47  0  0  1  0            999 V2000
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.6003    1.4978    0.0000 O   0  0
    3.8990    0.7455    0.0000 C   0  0
    3.8964   -0.7545    0.0000 O   0  0
    5.2003    1.4932    0.0000 C   0  0
    6.4990    0.7410    0.0000 C   0  0
    7.8003    1.4887    0.0000 C   0  0
    9.0994    0.7388    0.0000 C   0  0
   10.3984    1.4888    0.0000 C   0  0
   11.6975    0.7387    0.0000 O   0  0
   10.3985    2.9888    0.0000 C   0  0
   11.6975    3.7387    0.0000 O   0  0
    9.0994    3.7388    0.0000 C   0  0
    7.8004    2.9888    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -6.4990   -0.7410    0.0000 C   0  0
   -7.8007   -1.4864    0.0000 C   0  0
   -9.0971   -0.7319    0.0000 C   0  0
   -9.0919    0.7681    0.0000 C   0  0
   -7.7903    1.5136    0.0000 C   0  0
   -6.4939    0.7591    0.0000 C   0  0
   -7.7851    3.0136    0.0000 O   0  0
  -10.3884    1.5225    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3032    3.7490    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    1.2935   -3.7495    0.0000 O   0  0
    1.2883   -5.2495    0.0000 C   0  0  2  0  0  0
    2.5847   -6.0040    0.0000 C   0  0  2  0  0  0
    2.5796   -7.5040    0.0000 O   0  0
    3.8864   -5.2585    0.0000 C   0  0  1  0  0  0
    5.1828   -6.0130    0.0000 O   0  0
    3.8915   -3.7585    0.0000 C   0  0  1  0  0  0
    5.1932   -3.0130    0.0000 O   0  0
   -0.0133   -5.9950    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  1
  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  1  0
 11 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16  9  1  0
  3 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  6
 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 28  2  0
 28 23  1  0
 27 29  1  0
 26 30  1  0
 19 31  1  0
 31  2  1  0
 31 32  1  1
 17 33  1  6
 33 34  1  0
 35  1  1  1
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  1
 38 40  1  0
 40 41  1  6
 40 42  1  0
 42 35  1  0
 42 43  1  6
 37 44  1  6
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25717

> <plate>
PLATE 002

> <well>
D10

> <supplier_cmpd_name>
Verbascoside

> <ctcr_id>
11602

> <supplier_cmpd_id>
.

> <smiles>
O([C@H]1[C@H](OC(=O)/C=C/c2cc(O)c(O)cc2)[C@H](O[C@@H](OCCc2ccc(c(c2)O)O)[C@@H]1O)CO)[C@@H]1O[C@H]([C@H](O)[C@@H](O)[C@H]1O)C

> <pd_targets>
{PRKCA,PRKCB,PRKCD,PRKCE,PRKCG,PRKCH,PRKCQ,PRKCZ,L3MBTL1,REP,PTGS2,POL}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Kinase,Reader,Transferase,Oxidoreductase,Hydrolase,"Protein Kinase","Methyl-lysine/arginine binding protein","AGC protein kinase group","MBT domain","AGC protein kinase 
PKC family","AGC protein kinase PKC alpha subfamily"}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Anti-infective targets","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Viral protein targets",Cyclooxygenase,"AGC: Containing PKA",PKG,"PKC families","Coronavirus (CoV
) proteins","Protein kinase C (PKC) family","Delta subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,Metabolism,"Signal Transduction","RNA Polymerase II Transcription","Infectious disease","Metabolism of lipids","Signaling by GPCR","Generic Transcription Pat
hway","SARS-CoV Infections","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR downstream signalling","Transcriptional Regulation by TP53","SARS-CoV-2 Infection","Biosynthesis of DPA-de
rived SPMs","G alpha (i) signalling events","Regulation of TP53 Activity","SARS-CoV-2 Genome Replication and Transcription","Biosynthesis of DPAn-3 SPMs","Visual phototransduction","Regulation of TP53
 Activity through Methylation","Replication of the SARS-CoV-2 genome","The phototransduction cascade",Inactivation,"recovery and regulation of the phototransduction cascade"}

> <broad_targets>
{}

> <broad_moa>
{"NFkB pathway inhibitor","PKC inhibitor"}

> <synonyms>
{Acteoside,Verbascoside,61276-17-3,61276173,Kusaginin,Verbacoside,"TJC 160",UNII-3TGX09BD5B,UNII3TGX09BD5B,acetoside,"NSC 603831",3TGX09BD5B,Verbacoside;,Acteoside;,MFCD00221751,MLS002473233,SCHEMBL65
7970,CHEBI:9953,CHEMBL231853,CHEMBL444478,cid_5281800,cid5281800,cid-5281800,"cid 5281800",T3375}

> <pdid>
PD012066

> <targets>
{"Immunology & Inflammation related",p53,PARP1,PKC,Apoptosis,Bacterial,HSV}

> <classes>
{Chromatin/Epigenetic,Apoptosis,Cytoskeletal Signaling,DNA Damage/DNA Repair,Anti-infection,Epigenetics,TGF-beta/Smad}

> <pubchem_cids>
{5281800}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 27 28  0  0  0  0            999 V2000
    5.1830  -10.5134    0.0000 C   0  0
    6.4833   -9.7656    0.0000 N   0  0
    6.4855   -8.2648    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 O   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 N   0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    9.0819   -9.7710    0.0000 S   0  0
    7.7794  -12.0195    0.0000 C   0  0
    9.0758  -12.7741    0.0000 C   0  0
    9.0706  -14.2741    0.0000 C   0  0
    7.7690  -15.0196    0.0000 C   0  0
    6.4726  -14.2651    0.0000 C   0  0
    6.4778  -12.7651    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
  7  9  1  0
  9 10  1  0
 10 11  1  0
 10 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
  2 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25718

> <plate>
PLATE 002

> <well>
D11

> <supplier_cmpd_name>
Elesclomol

> <ctcr_id>
5976

> <supplier_cmpd_id>
.

> <smiles>
CN(NC(=O)CC(=O)NN(C)C(=S)c1ccccc1)C(=S)c2ccccc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{HSPA1A}

> <broad_moa>
{"oxidative stress inducer"}

> <synonyms>
{Elesclomol,488832-69-5,488832695,STA-4783,STA4783,"Elesclomol (STA-4783)","Elesclomol (STA4783)","N'1,N'3-dimethyl-N'1,N'3-di(phenylcarbonothioyl)malonohydrazide","N'1,N'3dimethylN'1,N'3di(phenylcarb
onothioyl)malonohydrazide",UNII-6UK191M53P,UNII6UK191M53P,CHEBI:79369,"Propanedioic acid, bis(2-methyl-2-(phenylthioxomethyl)hydrazide)","Propanedioic acid, bis(2methyl2(phenylthioxomethyl)hydrazide)"
,6UK191M53P,1,3-Bis(2-methy,3Bis(2methy,T6170,S1052,ELESCLOMOL}

> <pdid>
PD008949

> <targets>
{HSP-70 Inducers,Apoptosis,Reactive Oxygen Species}

> <classes>
{Apoptosis,Immunology/Inflammation,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{300471}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 23 26  0  0  1  0            999 V2000
   -1.6132    0.8623    0.0000 C   0  0
   -0.8507    2.1540    0.0000 C   0  0  2  0  0  0
   -2.0273    2.8238    0.0000 C   0  0
   -3.2220    2.1540    0.0000 C   0  0
   -3.2220    0.7964    0.0000 C   0  0
   -4.3986    0.0905    0.0000 C   0  0  2  0  0  0
   -5.5751    0.7964    0.0000 C   0  0
   -6.7517    0.0905    0.0000 C   0  0
   -6.7517   -1.2490    0.0000 C   0  0
   -5.5751   -1.9187    0.0000 C   0  0  1  0  0  0
   -4.3986   -1.2490    0.0000 C   0  0  1  0  0  0
   -3.2220   -1.9187    0.0000 C   0  0
   -2.0273   -1.2490    0.0000 C   0  0
   -2.0273    0.0905    0.0000 C   0  0  2  0  0  0
   -0.8507    0.7964    0.0000 C   0  0
    0.0000   -0.9956    0.0000 C   0  0
    1.0137    1.0137    0.0000 C   0  0
    2.4564    1.4243    0.0000 O   0  0
   -4.2577   -2.6360    0.0000 C   0  0
   -6.8751   -2.6263    0.0000 C   0  0
   -8.1744   -1.8768    0.0000 O   0  0
   -6.8749   -4.1263    0.0000 O   0  0
   -4.3986    1.5905    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  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
 11 12  1  6
 12 13  1  0
 14 13  1  1
 14  5  1  0
 14 15  1  0
 15  2  1  0
 14 16  1  0
 16 17  1  0
 17  2  1  0
 17 18  2  0
 10 19  1  1
 10 20  1  0
 20 21  2  0
 20 22  1  0
  6 23  1  6
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25719

> <plate>
PLATE 002

> <well>
E2

> <supplier_cmpd_name>
Isosteviol

> <ctcr_id>
11760

> <supplier_cmpd_id>
.

> <smiles>
C[C@]12CCC3[C@@]4(CCC[C@@]([C@H]4CC[C@@]3(C1)CC2=O)(C)C(=O)O)C

> <pd_targets>
{F10}

> <pathway_gtopdb>
{Enzyme,Protease,"Serine protease","Serine protease PA clan","Serine protease S1A subfamily"}

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

> <pathway_reactome>
{Disease,"Diseases of hemostasis","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Defective factor IX causes hemophilia B","Defective F9 variant does not activate FX"}

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{27975-19-5,27975195,AKOS001580912,975I195,Q-100355,Q100355,T3332,Isosteviol}

> <pdid>
PD011931

> <targets>
{COX-2,IL-6,NF-¦ÊB,Potassium Channel,TNF-¦Á,Reactive Oxygen Species,Topoisomerase}

> <classes>
{Immunology/Inflammation,Apoptosis,Membrane transporter/Ion channel,NF-¦ªb,Neuroscience,Cell Cycle/DNA Damage,Metabolic Enzyme/Protease,NF-ºB}

> <pubchem_cids>
{20975216}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 25 26  0  0  0  0            999 V2000
    3.8976   -0.7500    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    3.8982   -2.2498    0.0000 C   0  0
    2.5997   -3.0012    0.0000 C   0  0
    3.8988   -3.7512    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -5.1937   -3.0093    0.0000 O   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -5.1876   -6.0124    0.0000 C   0  0
   -5.1824   -7.5124    0.0000 C   0  0
   -3.8808   -8.2579    0.0000 C   0  0
   -2.5843   -7.5034    0.0000 C   0  0
   -2.5895   -6.0034    0.0000 C   0  0
   -3.8756   -9.7579    0.0000 O   0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0031    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  2  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
  9 23  1  0
 23 24  1  0
  7 25  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25720

> <plate>
PLATE 002

> <well>
E3

> <supplier_cmpd_name>
Licochalcone A

> <ctcr_id>
11479

> <supplier_cmpd_id>
.

> <smiles>
CC(C)(C=C)c1c(cc(c(c1)/C=C/C(=O)c1ccc(cc1)O)OC)O

> <pd_targets>
{PTPN1,NANH}

> <pathway_gtopdb>
{Enzyme,Phosphatase,Hydrolase,"Protein Phosphatase","Tyrosine protein phosphatase"}

> <pathway_chembl>
{Enzymes,Phosphatases,"Protein tyrosine phosphatases non-receptor type (PTPN)"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by MECP2","MECP2 regulates neuronal receptors and channels"}

> <broad_targets>
{PTPN1}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{"licochalcone a",58749-22-7,58749227,Licochalcone-A,LicochalconeA,UNII-JTV5467968,UNIIJTV5467968,CHEMBL139702,JTV5467968,"Licochalcone-A, Synthetic","LicochalconeA, Synthetic","3-Dimethylallyl-4,4'-d
ihydroxy-6-methoxychalcone","3Dimethylallyl4,4'dihydroxy6methoxychalcone","LICOAGROCHACONE A","Licohalconel A",SCHEMBL114042,"Chalcone base",T3600,"Licochalcone A"}

> <pdid>
PD017864

> <targets>
{Caspase-3}

> <classes>
{Apoptosis,Proteases/Proteasome}

> <pubchem_cids>
{5318998}

$$$$
TargetMol_L9000_Apoptosis 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_L9000_Apoptosis Compound Library

> <id>
25721

> <plate>
PLATE 002

> <well>
E4

> <supplier_cmpd_name>
Baohuoside I

> <ctcr_id>
11481

> <supplier_cmpd_id>
.

> <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_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 24 25  0  0  0  0            999 V2000
    5.2311   -3.4009    0.0000 C   0  0
    3.8056   -3.8679    0.0000 C   0  0
    3.3372   -5.2929    0.0000 N   0  0
    1.8372   -5.2877    0.0000 N   0  0
    1.3786   -3.8595    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0031    0.0000 C   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -2.5998    3.0004    0.0000 F   0  0
   -3.8976    0.7500    0.0000 F   0  0
   -3.8982    2.2498    0.0000 F   0  0
    0.9523   -6.4967    0.0000 C   0  0
   -0.5389   -6.3343    0.0000 C   0  0
    0.0659   -7.7068    0.0000 C   0  0
    1.5571   -7.8703    0.0000 C   0  0
    2.1616   -9.2431    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 12 14  1  0
 14 15  1  0
 11 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
  4 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
 23 24  3  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25722

> <plate>
PLATE 002

> <well>
E5

> <supplier_cmpd_name>
GNE-0877

> <ctcr_id>
11483

> <supplier_cmpd_id>
.

> <smiles>
Cc1nn(cc1Nc1ncc(c(n1)NC)C(F)(F)F)C(C)(C)C#N

> <pd_targets>
{LRRK2,TTK,CYP1A2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 1","TKL protein kinase group","Other protein kinase group","Cytochrome P450 family 1A","TKL protein kinase LRRK family","Other
 protein kinase TTK family","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Cytochrome P450","Receptor kinases","CYP1 family","TKL: Tyrosine kinase-like","Other protein kinases","Leucine-rich repeat kinase (LRRK) family","TTK family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Signaling by Non-Receptor Tyrosine Kinases","Biological oxidations","Signaling by PTK6","Phase I - Functionalization of compounds","PTK6 promotes HIF1A stabilization
","Cytochrome P450 - arranged by substrate type",Xenobiotics,"Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NE087,GNE-0877,GNE0877,1374828-69-9,1374828699,UNII-ANGHS285FG,UNIIANGHS285FG,ANGHS285FG,CHEMBL3122113,GTPL9393,SCHEMBL4561063,C14H16F3N7,HMS3653E18,AMY16361,AOB87141,BCP09654,EX-A2062,EXA2062,"GNE 0
877",2434AH,BDBM50448118,MFCD28098661,s7367,AKOS027250747,ZINC103260600,CCG-267909,CCG267909,SB17,T6031}

> <pdid>
PD010334

> <targets>
{LRRK2}

> <classes>
{Autophagy}

> <pubchem_cids>
{69093374}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 21 21  0  0  1  0            999 V2000
    7.7794  -12.0187    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   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  1  0  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
    6.4897   -5.2632    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  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 14 19  1  0
 19 20  1  0
  6 21  1  1
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25723

> <plate>
PLATE 002

> <well>
E6

> <supplier_cmpd_name>
6-Gingerol

> <ctcr_id>
11954

> <supplier_cmpd_id>
.

> <smiles>
CCCCC[C@@H](CC(=O)CCc1cc(c(cc1)O)OC)O

> <pd_targets>
{CYP2C19,CYP1A2,CYP2C9,CYP3A4,CYP2B6,CYP2C8,TRPA1,CYP2D6,CYP2A6,CYP2E1,HTR1A,LTA4H,TRPV1}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Membrane receptor","Cytochrome P450","Voltage-gated ion channel","Family A G protein-coupled receptor","Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 fam
ily 3","Transient receptor potential channel","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Cytochrome P450 family 2B",
"Cytochrome P450 family 2D","Cytochrome P450 family 2A","Cytochrome P450 family 2E","Monoamine receptor","Cytochrome P450 2C19","Cytochrome P450 1A1","Cytochrome P450 2C9","Cytochrome P450 3A4","Cytoc
hrome P450 2B6","Cytochrome P450 2C8","Cytochrome P450 2D6","Cytochrome P450 2A6","Cytochrome P450 2E1","Serotonin receptor",Protease,"Metallo protease","Metallo protease MAE clan","Metallo protease M
1 family"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Cytochrome P450","Voltage-gated ion channels","G protein-coupled receptors","CYP2 family: drug metabolising subset","CYP1 family","CYP3 family","Transient Receptor P
otential channels","5-Hydroxytryptamine receptors","Peptidases and proteinases","MA: Metallo (M) Peptidases","M1: Aminopeptidase N"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Signal Transduction","Biological oxidations","Metabolism of lipids","Ion channel transport","Signaling by GPCR","Phase I - Functionalization of compounds","
Biosynthesis of specialized proresolving mediators (SPMs)","Stimuli-sensing channels","GPCR ligand binding","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","TRP chann
els","Class A/1 (Rhodopsin-like receptors)",Xenobiotics,"Biosynthesis of maresins","Amine ligand-binding receptors","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2
","Biosynthesis of maresin-like SPMs","Serotonin receptors","Biosynthesis of aspirin-triggered D-series resolvins"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{GINGERO,6-Gingerol,6Gingerol,23513-14-6,23513146,gingerol,(6)-Gingerol,(6)Gingerol,(S)-(+)-(6)Gingerol,(S)(+)(6)Gingerol,(S)-(6)-Gingerol,(S)(6)Gingerol,"3-Decanone, 5-hydroxy-1-(4-hydroxy-3-methoxyp
henyl)-, (5S)-","3Decanone, 5hydroxy1(4hydroxy3methoxyphenyl), (5S)",(S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)decan-3-one,(S)5Hydroxy1(4hydroxy3methoxyphenyl)decan3one,(5S)-5-hydroxy-1-(4-hydroxy-3-
methoxyphenyl)-3,(5S)5hydroxy1(4hydroxy3methoxyphenyl)3,T3405}

> <pdid>
PD015674

> <targets>
{AMPK,Apoptosis}

> <classes>
{Apoptosis,Epigenetics,PI3K/Akt/mTOR}

> <pubchem_cids>
{442793}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 34 38  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0  1  0  0  0
   -5.1961   -1.5000    0.0000 C   0  0  1  0  0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -7.7942   -1.5000    0.0000 C   0  0
   -7.7942   -3.0000    0.0000 C   0  0  2  0  0  0
   -6.4952   -3.7500    0.0000 C   0  0  2  0  0  0
   -6.4952   -5.2500    0.0000 C   0  0
   -7.7942   -6.0000    0.0000 C   0  0  2  0  0  0
   -9.0932   -5.2501    0.0000 C   0  0  1  0  0  0
   -9.0933   -3.7501    0.0000 C   0  0
   -9.0579   -2.2505    0.0000 C   0  0
  -10.3743   -4.5304    0.0000 C   0  0
  -10.3923   -6.0001    0.0000 O   0  0
   -7.7942   -7.5000    0.0000 O   0  0
   -5.1961   -4.5000    0.0000 C   0  0
   -5.1962   -0.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    0.0000   -3.0000    0.0000 C   0  0
   -4.7631   -0.2500    0.0000 C   0  0
   -2.5988   -0.0004    0.0000 C   0  0
   -3.4651    0.4990    0.0000 O   0  0
   -2.5985   -1.0004    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 12 11  1  6
 12 13  1  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 16 15  1  6
 16 17  1  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 21 22  1  0
 21 23  1  0
 20 24  1  6
 19 25  1  1
 17 26  1  6
 13 27  1  6
 28  9  1  1
 28  5  1  0
 28 29  1  0
 29  2  1  0
 29 30  1  6
  8 31  1  1
  5 32  1  6
 32 33  2  0
 32 34  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25724

> <plate>
PLATE 002

> <well>
E7

> <supplier_cmpd_name>
Corosolic acid

> <ctcr_id>
11485

> <supplier_cmpd_id>
.

> <smiles>
C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]3[C@@]4(C[C@H]([C@@H](C3(C)C)O)O)C)C)[C@@H]2[C@H]1C)C)C(=O)O

> <pd_targets>
{PYGM,PTPN1,RORC,PTPN6,PTPN2,SKA,HTT,AMY2,POLB,HSD11B1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein",Transferase,Phosphatase,"Nuclear receptor",Kinase,Hydrolase,Oxidoreductase,"Protein Phosphatase","Nuclear hormone receptor subfamily 1","Tyrosine 
protein phosphatase","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,Phosphatases,"Nuclear hormone receptors","3.2.1.- Glycosidases","1.-.-.- Oxidoreductases","Protein tyrosine phosphatases non-receptor type (PTPN)","1F. Retinoic acid-related orphans
"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Immune System","Digestion and absorption","DNA Repair","Metabolism of carbohydrates","RNA Polymerase II Transcription","Cytokine Signaling in Immune syst
em",Digestion,"Base Excision Repair","Metabolism of lipids","Glycogen metabolism","Generic Transcription Pathway","Interferon Signaling","Digestion of dietary carbohydrate","Resolution of Abasic Sites
 (AP sites)","Metabolism of steroids","Glycogen breakdown (glycogenolysis)","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","Interferon alpha/beta signaling","Interferon ga
mma signaling","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Metabolism of steroid hormones","MECP2 regulates neuronal receptors and channels","RUNX3 Regulates Immune
 Response and Cell Migration","Regulation of IFNA signaling","Regulation of IFNG signaling","Regulation of MECP2 expression and activity","PCNA-Dependent Long Patch Base Excision Repair","Glucocortico
id biosynthesis"}

> <broad_targets>
{HSD11B1,PTPN1}

> <broad_moa>
{"PKC inhibitor","protein tyrosine kinase inhibitor"}

> <synonyms>
{"Corosolic acid",4547-24-4,4547244,Glucosol,Corosolic-acid,Corosolicacid,"Corsolic acid","2alpha-Hydroxyursolic acid","2alphaHydroxyursolic acid","2-alpha-Hydroxyursolic acid",UNII-AMX2I57A98,UNIIAMX
2I57A98,"Colosolic acid",AMX2I57A98,CHEMBL391533,CHEBI:67895,"Colosic acid",(2alpha,3beta)-2,3beta)2,3-Dihydrox,3Dihydrox,T3391}

> <pdid>
PD052380

> <targets>
{FAK}

> <classes>
{Angiogenesis,"Cytoskeletal Signaling"}

> <pubchem_cids>
{6918774}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 23 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
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -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
   -5.2819    4.3363    0.0000 C   0  0
   -6.7736    4.1795    0.0000 C   0  0
   -7.3837    2.8092    0.0000 C   0  0
   -6.5020    1.5956    0.0000 C   0  0
   -5.0114    1.7529    0.0000 C   0  0
   -8.8755    2.6523    0.0000 O   0  0
   -7.6553    5.3930    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
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13  6  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 12  1  0
 20 15  1  0
 18 21  1  0
 17 22  1  0
  5 23  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25725

> <plate>
PLATE 002

> <well>
E8

> <supplier_cmpd_name>
Wedelolactone

> <ctcr_id>
11955

> <supplier_cmpd_id>
.

> <smiles>
COc1cc(c2c(c1)oc(=O)c1c2oc2cc(c(cc12)O)O)O

> <pd_targets>
{KMT2A,MEN1,BLM,CBR1,THRB,RECQL,TDP1,RORC,FFP,REST,ALOX5,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,STX1,ALD,APEX1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Transcription factor","Ion channel","Unclassified protein",Reader,Oxidoreductase,"Nuclear receptor",Hydrolase,Transferase,"Ligand-gated ion channel",Bromodomain,"Nuclea
r hormone receptor subfamily 1","GABA-A receptor","Nuclear hormone receptor subfamily 1 group A","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group A member 2",
"Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","Nuclear hormone receptors","Prostaglandin synthases","1A. Thyroid hormone receptors","1F. Retinoic acid-related orphans",Lipoxygenases}

> <pathway_reactome>
{"DNA Repair",Metabolism,"Metabolism of proteins","Gene expression (Transcription)","DNA Double-Strand Break Repair","Metabolism of lipids","Post-translational protein modification","RNA Polymerase II
 Transcription","Base Excision Repair","Homology Directed Repair","Fatty acid metabolism",SUMOylation,"Nonhomologous End-Joining (NHEJ)","Generic Transcription Pathway","Biosynthesis of specialized pr
oresolving mediators (SPMs)","Resolution of Abasic Sites (AP sites)","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Arachidonic acid metabolism","SUMO E3 ligases SUMOyl
ate target proteins","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","HDR through Homologous Rec
ombination (HRR)","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","SUMOylation of intracellular receptors","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","
PCNA-Dependent Long Patch Base Excision Repair","Homologous DNA Pairing and Strand Exchange","Biosynthesis of DPAn-3-derived 13-series resolvins","Presynaptic phase of homologous DNA pairing and stran
d exchange"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Wedelolactone,524-12-9,524129,"7-Methoxy-5,11,12-trihydroxy-coumestan","7Methoxy5,11,12trihydroxycoumestan",UNII-0K6L725GNS,UNII0K6L725GNS,"1,8,9-Trihydroxy-3-methoxycoumestan","1,8,9Trihydroxy3metho
xycoumestan",CHEMBL97453,0K6L725GNS,CHEBI:10037,MFCD07778564,"5,11,12-Trihydroxy-7-methoxycoumestan","5,11,12Trihydroxy7methoxycoumestan",1,8,9-trihydroxy-3-methoxy-(1)benz,9trihydroxy3methoxy(1)benz,
T3384}

> <pdid>
PD018300

> <targets>
{NF-¦ÊB}

> <classes>
{NF-¦ªb}

> <pubchem_cids>
{5281813}

$$$$
TargetMol_L9000_Apoptosis 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_L9000_Apoptosis Compound Library

> <id>
25726

> <plate>
PLATE 002

> <well>
E9

> <supplier_cmpd_name>
QNZ

> <ctcr_id>
3604

> <supplier_cmpd_id>
.

> <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_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 21 21  0  0  0  0            999 V2000
    1.6317   -2.2458    0.0000 C   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    2.6375    0.8603    0.0000 C   0  0
    2.9474    2.3287    0.0000 O   0  0
    4.3738    2.7955    0.0000 P   0  0
    5.4903    1.7938    0.0000 O   0  0
    4.6837    4.2640    0.0000 N   0  0
    6.1101    4.7307    0.0000 C   0  0
    6.4200    6.1992    0.0000 C   0  0
    7.8456    6.6657    0.0000 Br  0  0
    4.0605    1.2980    0.0000 N   0  0
    5.1784    0.2966    0.0000 C   0  0
    4.8711   -1.1724    0.0000 C   0  0
    5.9884   -2.1733    0.0000 Br  0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6332   -2.2426    0.0000 N   0  3
   -1.0255   -3.6140    0.0000 O   0  5
   -3.1247   -2.0836    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
  6 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
  3 16  2  0
 16 17  1  0
 17 18  2  0
 18  2  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
M  CHG  2  19   1  20  -1
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25727

> <plate>
PLATE 002

> <well>
E10

> <supplier_cmpd_name>
Evofosfamide

> <ctcr_id>
6081

> <supplier_cmpd_id>
.

> <smiles>
Cn1c(CO[P](=O)(NCCBr)NCCBr)cnc1[N+]([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"DNA alkylating agent"}

> <synonyms>
{evofosfamide,TH-302,TH302,918633-87-1,918633871,"TH 302",UNII-8A9RZ3HN8W,UNII8A9RZ3HN8W,8A9RZ3HN8W,"compound 3b",HAP-302,HAP302,"TH-302; Evofosfamide;HAP-302","TH302; Evofosfamide;HAP302","Evofosfami
de (USAN:INN)","Evofosfamide(TH 302)",Evofosfamide(TH-302),Evofosfamide(TH302),C9H16Br2N5O4P,cc-588,cc588,CHEMBL260046,"Evofosfamide (JAN",T3615,S2757,Evofosfamide}

> <pdid>
PD021567

> <targets>
{P450 (e.g. CYP17),Others,Apoptosis}

> <classes>
{Apoptosis}

> <pubchem_cids>
{11984561}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 24 27  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    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
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 O   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -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
   -1.2991    3.7500    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
  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 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17  7  1  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  1  0
 23  6  1  0
 23 24  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25728

> <plate>
PLATE 002

> <well>
E11

> <supplier_cmpd_name>
NQDI-1

> <ctcr_id>
11956

> <supplier_cmpd_id>
.

> <smiles>
CCOC(=O)c1c2c3ccccc3c(=O)c3c2c(ccc3)[nH]c1=O

> <pd_targets>
{MAP3K5,GSTM1}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","STE protein kinase group","STE protein kinase STE11 family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","STE11 family"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Metabolism,"Cellular responses to stress","Biological oxidations","Cellular Senescence","Phase II - Conjugation of compounds","Oxidative Stress Induced Senesc
ence","Glutathione conjugation"}

> <broad_targets>
{CASP3}

> <broad_moa>
{"caspase inhibitor"}

> <synonyms>
{QDI,NQDI-1,NQDI1,175026-96-7,175026967,"NQDI 1","ethyl 2,7-dioxo-2,7-dihydro-3H-naphtho(1,2,3-de)quinoline-1-carboxylate","ethyl 2,7dioxo2,7dihydro3Hnaphtho(1,2,3de)quinoline1carboxylate",MLS00071585
1,CHEMBL1345690,SMR000277368,"ethyl 2,7-dioxo-3,7-dihydro-2H-naphtho(1,2,3-de)quinoline-1-carboxylate","ethyl 2,7dioxo3,7dihydro2Hnaphtho(1,2,3de)quinoline1carboxylate","Ethyl 2",7-dioxo-2,7dioxo2,7-d
ihydro-3H-,7dihydro3H,T3101}

> <pdid>
PD012255

> <targets>
{ASK1,MAP3K5,Apoptosis,MAP3K}

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

> <pubchem_cids>
{5522952}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 34 38  0  0  0  0            999 V2000
    5.2063   -7.4990    0.0000 C   0  0
    5.2032   -5.9990    0.0000 C   0  0
    3.9026   -5.2517    0.0000 C   0  0
    3.8995   -3.7516    0.0000 C   0  0
    5.1971   -2.9990    0.0000 C   0  0
    6.4977   -3.7464    0.0000 C   0  0
    6.5007   -5.2464    0.0000 C   0  0
    7.8013   -5.9937    0.0000 C   0  0
    2.5997   -3.0012    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8976   -0.7500    0.0000 O   0  0
    3.8982   -2.2498    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.0114   -1.7530    0.0000 C   0  0
   -4.4013   -3.1233    0.0000 C   0  0
   -2.9095   -2.9665    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
   -5.1968    1.5003    0.0000 C   0  0
   -5.1993    3.0004    0.0000 C   0  0
   -6.4995    3.7483    0.0000 C   0  0
   -7.7974    2.9963    0.0000 C   0  0
   -7.7950    1.4963    0.0000 C   0  0
   -6.4948    0.7483    0.0000 C   0  0
   -9.0999    3.7419    0.0000 C   0  0
  -10.3966    2.9880    0.0000 O   0  0
   -9.1049    5.2419    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
  4  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 19  1  0
 23 24  1  0
 24 16  1  0
 24 25  2  0
 25 13  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
 29 32  1  0
 32 33  2  0
 32 34  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25729

> <plate>
PLATE 002

> <well>
F2

> <supplier_cmpd_name>
MX69

> <ctcr_id>
11957

> <supplier_cmpd_id>
.

> <smiles>
Cc1cc(ccc1C)NS(=O)(=O)c1ccc2NC(C3CC=CC3c2c1)c1ccc(cc1)C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MX69,1005264-47-0,1005264470,MX-69,SCHEMBL22092443,BCP19296,EX-A2460,EXA2460,s8403,STL199512,AKOS025270161,CCG-269490,CCG269490,CS-6109,CS6109,MCULE-1042632731,MCULE1042632731,AK685484,BS-14153,BS141
53,HY-100892,HY100892,EU-0081268,EU0081268,T3653}

> <pdid>
PD056686

> <targets>
{Mdm2,E1/E2/E3 Enzyme,IAP,MDM-2/p53}

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

> <pubchem_cids>
{4075607}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 35 38  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    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 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
    1.2933   -8.2481    0.0000 O   0  0
    2.5913   -7.4963    0.0000 C   0  0
   -1.3040   -9.7511    0.0000 C   0  0
   -0.0032  -10.4997    0.0000 N   0  0
    1.2934   -9.7453    0.0000 C   0  0
    2.5950  -10.4908    0.0000 C   0  0
    2.6001  -11.9908    0.0000 C   0  0
    1.3037  -12.7453    0.0000 C   0  0
    0.0021  -11.9997    0.0000 C   0  0  1  0  0  0
   -1.2966  -12.7520    0.0000 C   0  0
   -2.5972  -12.0047    0.0000 O   0  0
   -1.2940  -14.2520    0.0000 O   0  0
   -3.9074   -8.2480    0.0000 O   0  0
   -5.2053   -7.4961    0.0000 C   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    3.8943    3.7525    0.0000 C   0  0
    2.5964    3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 14 16  1  0
 16 17  1  0
 13 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 24 25  1  1
 25 26  2  0
 25 27  1  0
 12 28  1  0
 28 29  1  0
  3 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25730

> <plate>
PLATE 002

> <well>
F3

> <supplier_cmpd_name>
PD-1/PD-L1 inhibitor 1

> <ctcr_id>
11930

> <supplier_cmpd_id>
.

> <smiles>
Cc1c(cccc1COc1cc(c(c(c1)OC)CN1CCCC[C@H]1C(=O)O)OC)c1ccccc1

> <pd_targets>
{CD274,PDCD1}

> <pathway_gtopdb>
{"Unclassified protein","Surface antigen"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Immune System","Adaptive Immune System","Costimulation by the CD28 family","PD-1 signaling"}

> <broad_targets>
{CD274}

> <broad_moa>
{"programmed death ligand inhibitor"}

> <synonyms>
{"D1/PDL1 INHIBITOR",1675201-83-8,1675201838,"Pd-1/pd-l1 inhibitor 1","Pd1/pdl1 inhibitor 1","PD1-PDL1 inhibitor 1","PD1PDL1 inhibitor 1",CHEMBL3582252,BMS-1,BMS1,"PD1-PDL1 inhibitor 1 (PD1-PDL1-IN1)"
,"PD1PDL1 inhibitor 1 (PD1PDL1IN1)",PD1-PDL-inhibitor-1,PD1PDLinhibitor1,"PD-1/PL-L1 Inhibitor 1","PD1/PLL1 Inhibitor 1",SCHEMBL16555159,EX-A947,EXA947,"PD-1/PD-L1 inhibitor 1(C1)","PD1/PDL1 inhibitor
 1(C1)",AMY42176,BDBM5,T3655,"PD-1/PD-L1 inhibitor 1"}

> <pdid>
PD056688

> <targets>
{PD-1/PD-L1}

> <classes>
{Apoptosis,"Cell Cycle/Checkpoint",Immunology/Inflammation}

> <pubchem_cids>
{91663303}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 22 23  0  0  0  0            999 V2000
    6.5784   -7.5833    0.0000 C   0  0
    5.7048   -6.3639    0.0000 C   0  0
    6.3244   -4.9979    0.0000 C   0  0
    4.2111   -6.5099    0.0000 C   0  0
    3.5939   -7.8779    0.0000 C   0  0
    4.4688   -9.0963    0.0000 O   0  0
    2.1013   -8.0269    0.0000 O   0  0
    3.3372   -5.2929    0.0000 N   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 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 Br  0  0
    1.3786   -3.8595    0.0000 S   0  0
    1.8372   -5.2877    0.0000 C   0  0
    0.9513   -6.4982    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  4  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  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
 11 20  1  0
 20 21  1  0
 21  8  1  0
 21 22  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25731

> <plate>
PLATE 002

> <well>
F4

> <supplier_cmpd_name>
BH3I-1

> <ctcr_id>
11958

> <supplier_cmpd_id>
.

> <smiles>
CC(C)C(C(=O)O)N1C(=O)C(=Cc2ccc(cc2)Br)SC1=S

> <pd_targets>
{BCL2L1,BCL2,MCL1,FFP,RORC,KMT2A,MEN1,FTL}

> <pathway_gtopdb>
{"Ion channel","Other cytosolic protein",Enzyme,"Transcription factor","Epigenetic regulator","Unclassified protein","Other ion channel",Transferase,"Nuclear receptor",Reader,"Miscellaneous ion channe
l","Nuclear hormone receptor subfamily 1",Bromodomain,"Bcl-2 family","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{"Other protein targets",Receptors,"B-cell lymphoma 2 (Bcl-2) protein family","Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{Disease,"Immune System","Gene expression (Transcription)","Vesicle-mediated transport","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","Cytok
ine Signaling in Immune system","RNA Polymerase II Transcription","Membrane Trafficking","FLT3 signaling in disease","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signalin
g pathways","Signaling by Interleukins","Generic Transcription Pathway","trans-Golgi Network Vesicle Budding","Signaling by FLT3 ITD and TKD mutants",Inflammasomes,"Interleukin-4 and Interleukin-13 si
gnaling","Transcriptional regulation by RUNX3","Golgi Associated Vesicle Biogenesis","STAT5 activation downstream of FLT3 ITD mutants","The NLRP1 inflammasome","RUNX3 Regulates Immune Response and Cel
l Migration"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{H3I,BH3I-1,BH3I1,300817-68-9,300817689,"BHI1;BH 3I1","BH3I 1",CBDivE_015522,CBDivE015522,CBDivE-015522,"CBDivE 015522","CID 6090108",SCHEMBL158041,BCP17483,MCULE-9914686114,MCULE9914686114,AK547723,Q
27163497,T1493}

> <pdid>
PD016575

> <targets>
{Bcl-xL-BH3,p53/MDM2,Bcl-2 Family,E1/E2/E3 Enzyme,MDM-2/p53}

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

> <pubchem_cids>
{2838988}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 30 34  0  0  1  0            999 V2000
    2.6018   -5.9994    0.0000 C   0  0
    3.9008   -5.2492    0.0000 O   0  0
    3.9014   -3.7484    0.0000 C   0  0
    2.6012   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8967   -0.7484    0.0000 C   0  0
    5.1969   -1.4963    0.0000 C   0  0
    6.4939   -0.7411    0.0000 O   0  0
    6.4894    0.7589    0.0000 C   0  0
    5.1993   -2.9963    0.0000 C   0  0
    6.4987   -3.7473    0.0000 O   0  0
    6.4990   -5.2473    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.3114    2.9665    0.0000 C   0  0
    1.8032    3.1233    0.0000 O   0  0
    2.4133    1.7530    0.0000 C   0  0
    3.8805    1.4410    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.7124   -4.0030    0.0000 O   0  0
   -3.1022   -5.3733    0.0000 C   0  0
   -1.6105   -5.2165    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10  3  1  0
 10 11  1  0
 11 12  1  0
 13  5  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  1
 16 17  1  0
 17 18  1  0
 14 18  1  1
 18 19  2  0
 15 20  1  0
 20 21  1  6
 20 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 24  2  0
 28 29  1  0
 29 30  2  0
 30 13  1  0
 30 22  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25733

> <plate>
PLATE 002

> <well>
F6

> <supplier_cmpd_name>
Picropodophyllin

> <ctcr_id>
742

> <supplier_cmpd_id>
.

> <smiles>
COc1cc(cc(OC)c1OC)[C@H]2[C@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24

> <pd_targets>
{TUBB2B,TUBA1A,LMNA,HIF1A,CYP3A4,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,E2,LEF,NR3C1,CYP2C19,NR0B1,CYP2C9,TUBB5,TOP2A,IGF1R,GMNN,NFO,NPSR1,MTOR}

> <pathway_gtopdb>
{"Structural protein","Other nuclear protein","Transcription factor",Enzyme,"Cytochrome P450",Protease,"Nuclear receptor",Isomerase,"Cytochrome P450 family 3","Metallo protease","Nuclear hormone recep
tor subfamily 3","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 0","Cytochrome P450 family 3A","Metallo protease MAE clan","Nuclear hormone receptor subfamily 3 group C","Cytochrome P4
50 family 2C","Nuclear hormone receptor subfamily 0 group B","Cytochrome P450 3A4","Metallo protease M34 family","Nuclear hormone receptor subfamily 3 group C member 1","Cytochrome P450 2C19","Nuclear
 hormone receptor subfamily 0 group B member 1","Cytochrome P450 2C9",Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase InsR family","Unclassified protein","Membrane receptor"
,Hydrolase,"Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Neuropeptide receptor","Atypical protein k
inase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Cytochrome P450","Nuclear hormone receptors",Tubulins,"DNA topoisomerases","CYP3 family","Steroid hormone receptors","CYP2 family: drug metabolising subset"
,"0B. DAX-like receptors","3C. 3-Ketosteroid receptors","Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type II RTKs: Insulin receptor family","G pro
tein-coupled receptors","Kinases (EC 2.7.x.x)","Neuropeptide S receptor",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle","Cellular responses to external stimuli",Metabolism,Disease,"Gene expression (Transcription)",Mitotic,"Cellular responses to stress","Metabolism of lipids","Infectious disease","RNA Poly
merase II Transcription","Biological oxidations","M Phase","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","Uptake and actions of bacterial toxins","Generic 
Transcription Pathway","Mitotic G2-G2/M phases","Phase I - Functionalization of compounds","Mitotic G1 phase and G1/S transition","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylati
on of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Uptake and function of anthrax toxins","FOXO-mediated transcription","G2/M Transition","Cytochrome P450 - arranged by substrat
e type","Nuclear Receptor transcription pathway","G0 and Early G1","Mitotic Anaphase","Biosynthesis of maresins","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Centr
osome maturation",Xenobiotics,"Transcription of E2F targets under negative control by DREAM complex","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Loss of proteins required f
or interphase microtubule organization from the centrosome","CYP2E1 reactions","Sealing of the nuclear envelope (NE) by ESCRT-III","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from m
itotic centrosomes","Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","IGF1R signaling cascade","IRS-related events tri
ggered by IGF1R","Leishmania infection","G1/S Transition","Leishmania parasite growth and survival","Transcriptional Regulation by TP53","Activation of the pre-replicative complex","Anti-inflammatory 
response favouring Leishmania parasite infection","Regulation of TP53 Activity","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Regulation of
 TP53 Degradation"}

> <broad_targets>
{IGF1R,TOP2A,TUBA4A,TUBB}

> <broad_moa>
{"microtubule inhibitor","tubulin polymerization inhibitor"}

> <synonyms>
{Picropodophyllin,Picropodophyllotoxin,477-47-4,477474,AXL1717,"Picropodophyllin (PPP)",(-)PPP,()PPP,"IGF-1R Inhibitor, PPP","IGF1R Inhibitor, PPP",UNII-0F35AOI227,UNII0F35AOI227,"AXL1717 (Picropodoph
yllotoxin)",NSC36407,CHEBI:75251,0F35AOI227,AXL-1717,NSC-36407,"cyclolignan PPP",picro,T6943,T3S0027,T1121,1504410,Podophyllotoxin,PICROPODOPHYLLOTOXIN}

> <pdid>
PD000047

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

> <classes>
{antineoplastic,10% cytotoxicity of podophyllotoxin,Apoptosis,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{72435}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 17 17  0  0  1  0            999 V2000
    0.9482   -0.6335    0.0000 C   0  0
    0.0353   -1.7131    0.0000 C   0  0
    0.8687   -2.8770    0.0000 C   0  0
    2.0950   -1.8900    0.0000 C   0  0
    1.7839   -0.4226    0.0000 O   0  0
    3.5362   -2.2733    0.0000 C   0  0  2  0  0  0
    4.6854   -1.1925    0.0000 C   0  0
    4.7421    0.4039    0.0000 C   0  0
    6.0917    1.0585    0.0000 O   0  0
    3.4955    1.3169    0.0000 C   0  0  2  0  0  0
    2.2598    0.5847    0.0000 C   0  0
    0.7759    0.7608    0.0000 C   0  0
    3.5685    2.8151    0.0000 C   0  0
    3.8777   -3.7348    0.0000 C   0  0
    2.7837   -4.7610    0.0000 C   0  0
    5.3133   -4.1696    0.0000 C   0  0
   -1.4634   -1.6527    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  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12  1  1  0
 10 13  1  6
  6 14  1  6
 14 15  1  0
 14 16  1  0
  2 17  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25734

> <plate>
PLATE 002

> <well>
F7

> <supplier_cmpd_name>
Curdione

> <ctcr_id>
11775

> <supplier_cmpd_id>
.

> <smiles>
C\1=C(/CC(=O)[C@H](CC(=O)[C@H](CC1)C)C(C)C)\C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Curdione,Neocurdione,13657-68-6,13657686,"Germacr-1(10)-ene-5,8-dione","Germacr1(10)ene5,8dione",HY-N4243,HYN4243,AKOS030573581,ZINC100037270,CS-0032518,CS0032518,X1116,657C686,Q-100139,Q100139,"(3R,
6E,10S)-6,10-Dimethyl-3-propan-2-ylcyclodec-6-ene-1,4-dione","(3R,6E,10S)6,10Dimethyl3propan2ylcyclodec6ene1,4dione",T3411}

> <pdid>
PD063875

> <targets>
{CYP3A4}

> <classes>
{Metabolism}

> <pubchem_cids>
{10466651}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 42 49  0  0  0  0            999 V2000
    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
    5.1842   -6.0040    0.0000 C   0  0
    5.1766   -7.5040    0.0000 C   0  0
    6.4719   -8.2606    0.0000 C   0  0
    6.4643   -9.7613    0.0000 N   0  0
    5.2484  -10.6165    0.0000 C   0  0
    3.7823  -10.2994    0.0000 C   0  0
    2.7746  -11.4104    0.0000 C   0  0
    3.2330  -12.8387    0.0000 C   0  0
    4.6991  -13.1559    0.0000 C   0  0
    5.7068  -12.0448    0.0000 C   0  0
    7.2060  -12.0504    0.0000 N   0  0
    7.6747  -10.6255    0.0000 C   0  0
    9.1002  -10.1587    0.0000 O   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 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
   -3.7124    4.0029    0.0000 N   0  0
   -3.1023    5.3733    0.0000 C   0  0
   -1.6105    5.2165    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  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  7  1  0
 15 16  2  0
  3 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  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 30  1  0
 30 31  2  0
 31 26  1  0
 31 32  1  0
 32 33  2  0
 33 24  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
 29 40  1  0
 40 41  1  0
 41 42  2  0
 42 28  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25735

> <plate>
PLATE 002

> <well>
F8

> <supplier_cmpd_name>
AKT inhibitor VIII

> <ctcr_id>
11960

> <supplier_cmpd_id>
.

> <smiles>
C1CN(CCC1n1c2ccccc2[nH]c1=O)Cc1ccc(cc1)c1nc2cc3c(cc2nc1c1ccccc1)[nH]cn3

> <pd_targets>
{AKT2,AKT3,AKT1,ACP1}

> <pathway_gtopdb>
{Enzyme,Kinase,Phosphatase,"Protein Kinase","Protein Phosphatase","AGC protein kinase group","Tyrosine protein phosphatase","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>
{"Signal Transduction","Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Signaling by Insulin receptor","Generic Transcription Pathway","Ins
ulin receptor signalling cascade","Transcriptional Regulation by TP53","IRS-mediated signalling","Regulation of TP53 Activity","PI3K Cascade","Regulation of TP53 Expression and Degradation","PKB-media
ted events","Regulation of TP53 Degradation","PDE3B signalling"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Akt inhibitor VIII",Akti-1/2,Akti1/2,612847-09-3,612847093,"Akt Inhibitor VIII, Isozyme-Selective, Akti-1/2","Akt Inhibitor VIII, IsozymeSelective, Akti1/2",Akt-I-1/2,AktI1/2,"isozyme-selective, Akt
i-1/2","isozymeselective, Akti1/2","imidazoquinoxaline 16h",UNII-YX4CPQ6V6X,UNIIYX4CPQ6V6X,YX4CPQ6V6X,MLS003509084,MLS006010829,CHEMBL258844,GTPL5921,SC,T3346,"AKT inhibitor VIII"}

> <pdid>
PD012952

> <targets>
{Akt,Akt1,Akt2,Akt3,Apoptosis}

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

> <pubchem_cids>
{135398501}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 41 44  0  0  0  0            999 V2000
    7.9621    2.6108    0.0000 C   0  0
    6.4621    2.6077    0.0000 N   0  0
    5.7135    1.3069    0.0000 C   0  0
    6.4658    0.0092    0.0000 C   0  0
    4.2127    1.3039    0.0000 C   0  0
    3.4605    2.6016    0.0000 O   0  0
    3.4641    0.0031    0.0000 N   0  0
    1.9598    0.0000    0.0000 C   0  0
    1.3858    1.3858    0.0000 C   0  0
    0.0000    1.9598    0.0000 N   0  0
   -1.3858    1.3858    0.0000 C   0  0
   -1.9598    0.0000    0.0000 C   0  0
   -1.3858   -1.3858    0.0000 C   0  0
   -2.3606   -2.5278    0.0000 C   0  0
   -1.5768   -3.8068    0.0000 C   0  0
   -0.1183   -3.4566    0.0000 C   0  0
    0.0000   -1.9598    0.0000 N   0  0
    1.3858   -1.3858    0.0000 C   0  0
    2.4465   -2.4465    0.0000 O   0  0
    1.0187   -4.4324    0.0000 C   0  0
    2.4337   -3.9347    0.0000 O   0  0
    0.7425   -5.9076    0.0000 N   0  0
    1.8814   -6.8851    0.0000 C   0  0
    1.6052   -8.3603    0.0000 C   0  0
    2.7420   -9.3389    0.0000 C   0  0
    2.4630  -10.8127    0.0000 C   0  0
    1.0472  -11.3080    0.0000 C   0  0
   -0.0897  -10.3295    0.0000 C   0  0
    0.1893   -8.8557    0.0000 C   0  0
    3.2971   -6.3871    0.0000 C   0  0
    4.4371   -7.3621    0.0000 C   0  0
    5.8514   -6.8625    0.0000 C   0  0
    6.1259   -5.3878    0.0000 C   0  0
    4.9860   -4.4128    0.0000 C   0  0
    3.5717   -4.9124    0.0000 C   0  0
   -0.0031    3.4641    0.0000 C   0  0
    1.2947    4.2164    0.0000 O   0  0
   -1.3039    4.2127    0.0000 C   0  0
   -1.3069    5.7135    0.0000 C   0  0
   -2.6070    6.4617    0.0000 C   0  0
   -0.0092    6.4658    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 13  1  0
 17 18  1  0
 18  8  1  0
 18 19  2  0
 16 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
 28 29  2  0
 29 24  1  0
 23 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
 10 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25736

> <plate>
PLATE 002

> <well>
F9

> <supplier_cmpd_name>
AT406

> <ctcr_id>
4414

> <supplier_cmpd_id>
.

> <smiles>
CNC(C)C(=O)NC1CN(CCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)C(=O)CC(C)C

> <pd_targets>
{XIAP,BIRC2,BIRC3}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme}

> <pathway_chembl>
{"Other protein targets","Inhibitors of apoptosis (IAP) protein family"}

> <pathway_reactome>
{"Programmed Cell Death","Immune System",Apoptosis,"Innate Immune System","Intrinsic Pathway for Apoptosis","Toll-like Receptor Cascades","Apoptotic factor-mediated response","Toll Like Receptor 4 (TL
R4) Cascade","Cytochrome c-mediated apoptotic response","MyD88-independent TLR4 cascade","Formation of apoptosome","TRIF(TICAM1)-mediated TLR4 signaling","Regulation of the apoptosome activity","IKK c
omplex recruitment mediated by RIP1"}

> <broad_targets>
{}

> <broad_moa>
{"IAP antagonist"}

> <synonyms>
{SCHEMBL18188080,HMS3740M03,T6763,S2754,AT406,AT-406}

> <pdid>
PD003570

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{75972143}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 42 45  0  0  1  0            999 V2000
    4.4559   -9.3785    0.0000 C   0  0
    4.3544   -7.8820    0.0000 C   0  0
    3.0073   -7.2220    0.0000 C   0  0
    3.1092   -8.7184    0.0000 C   0  0
    5.5998   -7.0445    0.0000 C   0  0
    5.4984   -5.5497    0.0000 C   0  0  1  0  0  0
    6.2484   -4.2507    0.0000 C   0  0  2  0  0  0
    5.2447   -3.1359    0.0000 C   0  0  2  0  0  0
    3.8933   -3.7570    0.0000 C   0  0  1  0  0  0
    4.0312   -5.2378    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5987   -1.5039    0.0000 O   0  0
    1.2934   -3.7508    0.0000 N   0  0
   -0.0049   -2.9977    0.0000 C   0  0
   -1.3070   -3.7424    0.0000 C   0  0
   -2.6029   -2.9870    0.0000 C   0  0
   -2.5967   -1.4870    0.0000 C   0  0
   -1.2946   -0.7424    0.0000 C   0  0
    0.0013   -1.4977    0.0000 C   0  0
   -3.8918   -0.7286    0.0000 C   0  0
   -3.8835    0.7714    0.0000 O   0  0
   -5.1953   -1.4710    0.0000 O   0  0
   -1.3162   -5.2432    0.0000 O   0  0
   -2.6194   -5.9860    0.0000 C   0  0
    5.5480   -1.6662    0.0000 C   0  0
    4.5130   -0.5877    0.0000 C   0  0
    4.9319    0.8526    0.0000 C   0  0
    6.3887    1.2101    0.0000 C   0  0
    7.4266    0.1272    0.0000 C   0  0
    7.0078   -1.3131    0.0000 C   0  0
    3.8939    1.9355    0.0000 Cl  0  0
    3.0564   -0.9456    0.0000 F   0  0
    6.8330   -2.8830    0.0000 C   0  0
    7.2405   -1.9698    0.0000 N   0  0
    7.1049   -5.4671    0.0000 C   0  0
    8.5989   -5.3325    0.0000 C   0  0
    9.4624   -6.5589    0.0000 C   0  0
    8.8320   -7.9201    0.0000 C   0  0
    7.3381   -8.0547    0.0000 C   0  0
    6.4745   -6.8282    0.0000 C   0  0
    9.6956   -9.1465    0.0000 Cl  0  0
    9.2292   -3.9714    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  6  5  1  6
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  6  1  0
  9 11  1  1
 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
 17 20  1  0
 20 21  2  0
 20 22  1  0
 15 23  1  0
 23 24  1  0
  8 25  1  6
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 27 31  1  0
 26 32  1  0
  7 33  1  6
 33 34  3  0
  7 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
 38 41  1  0
 36 42  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25737

> <plate>
PLATE 002

> <well>
F10

> <supplier_cmpd_name>
Idasanutlin

> <ctcr_id>
11961

> <supplier_cmpd_id>
.

> <smiles>
CC(C)(C)C[C@H]1[C@]([C@H]([C@@H](N1)C(=O)Nc1c(cc(cc1)C(=O)O)OC)c1c(c(ccc1)Cl)F)(C#N)c1c(cc(cc1)Cl)F

> <pd_targets>
{MDM2,TP53}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Ligase}

> <pathway_chembl>
{Enzymes,"E3 ubiquitin ligase components"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Expression a
nd Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{MDM2,TP53}

> <broad_moa>
{"MDM inhibitor"}

> <synonyms>
{Idasanutlin,1229705-06-9,1229705069,RG7388,RG-7388,"Idasanutlin (RG-7388)","Idasanutlin (RG7388)",UNII-QSQ883V35U,UNIIQSQ883V35U,RO5503781,QSQ883V35U,CHEMBL2402737,RO-5503781,"Idasanutlin (USAN:INN)"
,RG-7388;Idasanutlin,RG7388;Idasanutlin,"Idasanutlin (USAN/INN)",SCHEMBL442856,C31H29Cl2F,T6254}

> <pdid>
PD021586

> <targets>
{Mdm2,E1/E2/E3 Enzyme,MDM-2/p53}

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

> <pubchem_cids>
{53358942}

$$$$
TargetMol_L9000_Apoptosis 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 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 F   0  0
   -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
   -6.4915    3.7571    0.0000 C   0  0
   -5.1925    3.0070    0.0000 N   0  0
   -7.7912    3.0067    0.0000 C   0  0
   -7.9268    1.5256    0.0000 N   0  0
   -9.3935    1.2115    0.0000 N   0  0
  -10.1455    2.5093    0.0000 C   0  0
   -9.1436    3.6256    0.0000 N   0  0
   -9.4492    5.0923    0.0000 C   0  0
  -10.8736    5.5625    0.0000 C   0  0
   -8.3301    6.0911    0.0000 C   0  0
    2.5987    1.5004    0.0000 N   0  0
    3.9511    0.8815    0.0000 C   0  0
    4.9530    1.9978    0.0000 C   0  0
    4.2010    3.2957    0.0000 N   0  0
    2.7342    2.9815    0.0000 C   0  0
    6.4458    1.8433    0.0000 C   0  0
    7.6398    1.0791    0.0000 C   0  0
    7.6603    2.5789    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
  5  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
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 18  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
  3 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 26  1  0
 28 31  1  0
 31 32  1  0
 32 33  1  0
 33 31  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25738

> <plate>
PLATE 002

> <well>
F11

> <supplier_cmpd_name>
Selonsertib

> <ctcr_id>
11784

> <supplier_cmpd_id>
.

> <smiles>
Cc1c(cc(c(c1)F)C(=O)Nc1cccc(n1)c1nncn1C(C)C)n1cc(nc1)C1CC1

> <pd_targets>
{MAP3K5}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","STE protein kinase group","STE protein kinase STE11 family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","STE11 family"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Cellular responses to stress","Cellular Senescence","Oxidative Stress Induced Senescence"}

> <broad_targets>
{}

> <broad_moa>
{"MAP kinase activator"}

> <synonyms>
{Selonsertib,1448428-04-3,1448428043,GS-4997,GS4997,UNII-NS3988A2TC,UNIINS3988A2TC,"Selonsertib free base",Selonsertib(GS-4997),Selonsertib(GS4997),"GS 4997",NS3988A2TC,"1448428-04-3 (free base)","144
8428043 (free base)","Selonsertib (INN)","Selonsertib (GS-4997)","Selonsertib (GS4997)",NJV,SelonsertibGS-4997,SelonsertibGS4997,"GS-4997; Selonsertib","GS4997; Selonsertib",Selonserti,T3350}

> <pdid>
PD050525

> <targets>
{ASK1,Apoptosis,MAP3K}

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

> <pubchem_cids>
{71245288}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 25 28  0  0  0  0            999 V2000
    5.2211   -5.9917    0.0000 C   0  0
    3.9183   -5.2483    0.0000 C   0  0
    3.9107   -3.7483    0.0000 C   0  0
    5.2060   -2.9917    0.0000 C   0  0
    6.5088   -3.7352    0.0000 C   0  0
    6.5163   -5.2352    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 O   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5973    1.5031    0.0000 N   0  3
   -2.5951    3.0031    0.0000 O   0  0
   -3.8976    0.7553    0.0000 O   0  5
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  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 20  1  0
 20 21  1  0
 21 22  2  0
 22 14  1  0
 22 18  1  0
 17 23  1  0
 23 24  2  0
 23 25  1  0
M  CHG  2  23   1  25  -1
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25739

> <plate>
PLATE 002

> <well>
G2

> <supplier_cmpd_name>
10074-G5

> <ctcr_id>
11933

> <supplier_cmpd_id>
.

> <smiles>
c1ccc(cc1)c1ccccc1Nc1ccc(c2nonc12)[N+](=O)[O-]

> <pd_targets>
{MYC}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Mitotic G1 phase and G1/S transition","G0 and Early G1","Transcription of E2F targets under negative control by DREAM complex"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{0074G,10074-G5,10074G5,413611-93-5,413611935,CHEMBL2312756,"4-nitro-N-(2-phenylphenyl)-2,1,3-benzoxadiazol-7-amine","4nitroN(2phenylphenyl)2,1,3benzoxadiazol7amine","N-2-Biphenylyl-7-nitro-2,1,3-benz
oxadiazol-4-amine","N2Biphenylyl7nitro2,1,3benzoxadiazol4amine",Oprea1_158245,Oprea1158245,Oprea1-158245,"Oprea1 158245",MLS006012602,SCHEMBL2689577,DTXSID60385481,HMS3743K15,BCP09223,EX-A4226,EXA4226
,ZINC3879010,BDB,T3686}

> <pdid>
PD017807

> <targets>
{c-Myc,Autophagy}

> <classes>
{Cell Cycle/Checkpoint,Apoptosis,Autophagy}

> <pubchem_cids>
{2836600}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 58 63  0  0  0  0            999 V2000
   -6.8760   -7.4539    0.0000 C   0  0
   -5.6695   -6.5627    0.0000 C   0  0
   -4.2932   -7.1615    0.0000 C   0  0
   -4.1273   -8.6531    0.0000 N   0  0
   -5.3355   -9.5435    0.0000 C   0  0
   -6.7097   -8.9422    0.0000 O   0  0
   -5.1695  -11.0351    0.0000 C   0  0
   -3.7953  -11.6364    0.0000 C   0  0
   -6.3777  -11.9254    0.0000 N   0  0
   -6.2118  -13.4162    0.0000 C   0  0
   -3.0850   -6.2712    0.0000 C   0  0
   -1.7108   -6.8725    0.0000 O   0  0
   -3.2507   -4.7822    0.0000 N   0  0
   -4.5500   -4.0328    0.0000 C   0  0
   -4.2389   -2.5654    0.0000 C   0  0
   -5.2431   -1.4512    0.0000 O   0  0
   -2.7472   -2.4079    0.0000 C   0  0
   -2.1578   -3.7735    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
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.8242   -5.7201    0.0000 N   0  0
    2.8566   -6.8072    0.0000 C   0  0
    2.7393   -8.3026    0.0000 C   0  0
    3.9757   -9.1519    0.0000 C   0  0
    3.8584  -10.6473    0.0000 F   0  0
    5.3294   -8.5058    0.0000 C   0  0
    5.4467   -7.0104    0.0000 C   0  0
    4.2103   -6.1611    0.0000 C   0  0
    4.0146   -4.6747    0.0000 C   0  0
    5.0902   -3.6319    0.0000 C   0  0
    4.7252   -2.1761    0.0000 C   0  0
    3.3378   -1.6401    0.0000 C   0  0
    3.4374   -0.1434    0.0000 C   0  0
    2.2851    0.8168    0.0000 O   0  0
    4.8916    0.2244    0.0000 C   0  0
    5.6908   -1.0450    0.0000 N   0  0
    7.1851   -1.1528    0.0000 C   0  0
    7.8392   -2.5027    0.0000 O   0  0
    8.0279    0.0890    0.0000 C   0  0
    7.3762    1.4410    0.0000 C   0  0
    8.2200    2.6812    0.0000 C   0  0
    9.5248   -0.0191    0.0000 N   0  0
   10.3677    1.2228    0.0000 C   0  0
    9.7136    2.5726    0.0000 O   0  0
   11.8646    1.1147    0.0000 C   0  0
   12.5187   -0.2352    0.0000 C   0  0
   12.7075    2.3565    0.0000 N   0  0
   14.2036    2.2485    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
  3 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
 18 13  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  2  0
 29 20  1  0
 29 23  1  0
 21 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 34 36  2  0
 36 37  1  0
 37 38  2  0
 38 32  1  0
 38 39  1  0
 39 30  2  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 43 45  1  0
 45 46  1  0
 46 41  1  0
 46 47  1  0
 47 48  2  0
 47 49  1  0
 49 50  1  0
 50 51  1  0
 49 52  1  0
 52 53  1  0
 53 54  2  0
 53 55  1  0
 55 56  1  0
 55 57  1  0
 57 58  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25740

> <plate>
PLATE 002

> <well>
G3

> <supplier_cmpd_name>
Birinapant

> <ctcr_id>
5467

> <supplier_cmpd_id>
.

> <smiles>
CCC(NC(=O)C(C)NC)C(=O)N1CC(O)CC1Cc2c([nH]c3cc(F)ccc23)c4[nH]c5cc(F)ccc5c4CC6CC(O)CN6C(=O)C(CC)NC(=O)C(C)NC

> <pd_targets>
{XIAP,BIRC2,BIRC7,BIRC3}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme}

> <pathway_chembl>
{"Other protein targets","Inhibitors of apoptosis (IAP) protein family"}

> <pathway_reactome>
{"Programmed Cell Death","Immune System",Apoptosis,"Innate Immune System","Intrinsic Pathway for Apoptosis","Toll-like Receptor Cascades","Apoptotic factor-mediated response","Toll Like Receptor 4 (TL
R4) Cascade","Cytochrome c-mediated apoptotic response","MyD88-independent TLR4 cascade","Formation of apoptosome","TRIF(TICAM1)-mediated TLR4 signaling","Regulation of the apoptosome activity","IKK c
omplex recruitment mediated by RIP1"}

> <broad_targets>
{BIRC2,XIAP}

> <broad_moa>
{"XIAP inhibitor"}

> <synonyms>
{HMS3652P14,DA-35027,DA35027,FT-0696610,FT0696610,S7015,Birinapant}

> <pdid>
PD010652

> <targets>
{IAP}

> <classes>
{Apoptosis}

> <pubchem_cids>
{75299860}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 46 51  0  0  0  0            999 V2000
   -5.3122    5.9924    0.0000 C   0  0
   -4.8032    4.5814    0.0000 C   0  0
   -3.3267    4.3171    0.0000 C   0  0
   -5.7705    3.4338    0.0000 C   0  0
   -5.2613    2.0221    0.0000 C   0  0
   -6.2286    0.8745    0.0000 C   0  0
   -5.7600   -0.5300    0.0000 C   0  0
   -7.0425   -1.3079    0.0000 C   0  0
   -4.5500    0.1600    0.0000 O   0  0
   -3.3300   -0.5300    0.0000 C   0  0
   -2.1100    0.1600    0.0000 C   0  0
   -2.1069    1.6620    0.0000 C   0  0
   -0.8061    2.4106    0.0000 C   0  0
   -0.8030    3.9114    0.0000 C   0  0
    0.4971    4.6595    0.0000 C   0  0
   -2.1007    4.6637    0.0000 C   0  0
   -0.8900   -0.5300    0.0000 C   0  0
    0.3100    0.1600    0.0000 O   0  0
    1.5500   -0.5300    0.0000 C   0  0
    2.4500    0.5000    0.0000 C   0  0
    3.3200   -0.7100    0.0000 C   0  0
    3.8000   -3.2800    0.0000 C   0  0
    2.4200   -3.0200    0.0000 C   0  0
    1.5700   -1.9700    0.0000 C   0  0
    0.3100   -2.6400    0.0000 C   0  0
    0.2805   -4.1397    0.0000 O   0  0
   -0.8900   -1.9400    0.0000 C   0  0
   -2.1100   -2.6400    0.0000 C   0  0
   -2.1100   -4.1400    0.0000 O   0  0
   -3.3300   -1.9400    0.0000 C   0  0
   -4.5500   -2.6400    0.0000 C   0  0
   -5.7600   -1.9400    0.0000 C   0  0
    5.0100   -2.5900    0.0000 C   0  0
    6.1510   -3.5638    0.0000 O   0  0
    5.5000   -1.2900    0.0000 C   0  0
    5.9277    0.1750    0.0000 C   0  0
    7.3752    0.5714    0.0000 C   0  0
    8.4430   -0.4833    0.0000 C   0  0
    9.8893   -0.0858    0.0000 C   0  0
    8.0643   -1.9356    0.0000 C   0  0
    6.6180   -2.3332    0.0000 O   0  0
    9.1315   -2.9898    0.0000 O   0  0
    5.0300    0.0000    0.0000 O   0  0
    3.8300    0.7200    0.0000 C   0  0
    2.6594    1.6579    0.0000 C   0  0
    5.2660    1.1535    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 14 16  1  0
 11 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  3
 24 19  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 17  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 10  1  0
 30 31  1  0
 31 32  2  3
 32  7  1  0
 22 33  1  0
 33 34  2  0
 33 35  1  0
 35 19  1  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 40 42  2  0
 35 43  1  0
 43 44  1  0
 44 20  1  0
 44 45  1  0
 44 46  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25741

> <plate>
PLATE 002

> <well>
G4

> <supplier_cmpd_name>
Gambogic Acid

> <ctcr_id>
3842

> <supplier_cmpd_id>
.

> <smiles>
CC(C)=CCCC1(C)Oc2c(CC=C(C)C)c3OC45C6CC(C=C4C(=O)c3c(O)c2C=C1)C(=O)C5(C\C=C(\C)C(O)=O)OC6(C)C

> <pd_targets>
{TP53,HSD17B10,MAPT,RORC,FTL,ALOX15,MAPK1,CYP3A4,KDM4E,HPGD,BLM,PTPN1,MCL1,RGS17,TXN,IKBKB,HSP90AA1,TXN2,HSP90AB1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Other cytosolic protein","Unclassified protein","Epigenetic regulator",Oxidoreductase,"Nuclear receptor",Protease,Kinase,"Cytochrome P450",Eraser,Phosphatase,"Nuclear h
ormone receptor subfamily 1","Cysteine protease","Protein Kinase","Cytochrome P450 family 3","Lysine demethylase","Protein Phosphatase","Nuclear hormone receptor subfamily 1 group F","Cysteine proteas
e CA clan","CMGC protein kinase group","Cytochrome P450 family 3A","Jumonji domain-containing","Tyrosine protein phosphatase","Other protein kinase group","Nuclear hormone receptor subfamily 1 group F
 member 3","Cysteine protease C1A family","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Other protein kinase IKK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Nuclear hormone receptors","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Cytochrome P450","Chromatin modifying enzymes",Phosphatases,"B-cell lymphoma 2 (Bcl
-2) protein family","Regulators of G protein Signaling (RGS) proteins","Catalytic receptors","Heat shock proteins","1F. Retinoic acid-related orphans",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"C
LK families","CYP3 family","1.14.11.- Histone demethylases","Prostaglandin synthases","Protein tyrosine phosphatases non-receptor type (PTPN)","RZ family","Receptor kinases","Mitogen-activated protein
 kinases (MAP kinases)","Other protein kinases","ERK subfamily","IKK family"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Neuronal System","Gene expression (Transcription)","Vesicle-mediated transport","Immune System","DNA Repair","Signal Transduction",Disease,"Cell Cycle Checkpoints","Metabolis
m of amino acids and derivatives","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Membrane Trafficking","Metabolism of lipids","Innate Immune System","DNA Double-Strand Brea
k Repair","Cytokine Signaling in Immune system","Signaling by GPCR","Infectious disease",Mitotic,"G1/S DNA Damage Checkpoints","Branched-chain amino acid catabolism","Neurotransmitter receptors and po
stsynaptic signal transmission","Generic Transcription Pathway","trans-Golgi Network Vesicle Budding","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Cascades","Homolog
y Directed Repair","Signaling by Interleukins","GPCR downstream signalling","Leishmania infection","Mitotic G2-G2/M phases","Sulfur amino acid metabolism","p53-Dependent G1/S DNA damage checkpoint","A
ctivation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Golgi Associated Vesicle Biogenesis","Biosynthesis of DPA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade
","Biosynthesis of DHA-derived SPMs","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by MECP2","Interleukin-4 and Interleukin-13 signaling","G
 alpha (i) signalling events","Cell recruitment (pro-inflammatory response)","Toll Like Receptor 4 (TLR4) Cascade","G2/M Transition","Degradation of cysteine and homocysteine","p53-Dependent G1 DNA Da
mage Response","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","Biosynthesis of m
aresins","Biosynthesis of D-series resolvins","HDR through Homologous Recombination (HRR)","MECP2 regulates neuronal receptors and channels","Purinergic signaling in leishmaniasis infection","MyD88-in
dependent TLR4 cascade","Centrosome maturation","Stabilization of p53","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins and resolvins","MAP kinase activation","Bios
ynthesis of maresin-like SPMs","Homologous DNA Pairing and Strand Exchange","TRIF(TICAM1)-mediated TLR4 signaling","Loss of proteins required for interphase microtubule organization from the centrosom
e","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","IKK complex recruitment m
ediated by RIP1","Loss of Nlp from mitotic centrosomes","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{BCL2}

> <broad_moa>
{"caspase activator"}

> <synonyms>
{"Guttatic acid","Cambogic acid","Guttic acid",2752-65-0,2752650,b-Guttilactone,bGuttilactone,b-Guttiferin,bGuttiferin,"a-Gambogic acid","aGambogic acid",Beta-Guttiferrin,BetaGuttiferrin,B-Guttiferrin
,BGuttiferrin,Beta-Guttilactone,BetaGuttilactone,Spectrum5_000681,Spectrum5000681,Spectrum5-000681,"Spectrum5 000681",BSPBio_002493,BSPBio002493,BSPBio-002493,"BSPBio 002493",SPECTRUM200007,CHEMBL1477
081,SCHEMBL13613,T6185,200007,"Gambogic Acid","GAMBOGIC ACID"}

> <pdid>
PD002244

> <targets>
{Autophagy,Bcl-2 Family}

> <classes>
{cytotoxic,antiinflammatory,inhibits HeLa cells in vitro,LD50(rat) 88 mg/kg ip,Apoptosis,Autophagy}

> <pubchem_cids>
{5353639}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 26 26  0  0  1  0            999 V2000
    9.0755  -14.2726    0.0000 C   0  0
    9.0776  -12.7726    0.0000 C   0  0
    7.7794  -12.0195    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0  1  0  0  0
    5.1807  -10.5111    0.0000 C   0  0
    3.8841   -9.7570    0.0000 O   0  0
    6.4855   -8.2648    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8869   -8.2595    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0  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
  1  2  1  0
  2  3  1  0
  3  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  1
 12 13  1  0
 13 14  1  0
 13 15  1  0
 11 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25742

> <plate>
PLATE 002

> <well>
G5

> <supplier_cmpd_name>
Calpeptin

> <ctcr_id>
11962

> <supplier_cmpd_id>
.

> <smiles>
CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

> <pd_targets>
{CAPN1,MAPT,CTSK,CAPN9,LEF,CYP2C19,CYP1A2,CYP3A4,REP}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Protease,Hydrolase,"Cytochrome P450","Cysteine protease","Metallo protease","Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 3","Cysteine
 protease CA clan","Metallo protease MAE clan","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Cysteine protease C2 family","Cysteine protease C1A family","Metallo
 protease M34 family","Cytochrome P450 2C19","Cytochrome P450 1A1","Cytochrome P450 3A4",Transferase}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","Cytochrome P450","CA: Cysteine (C) Peptidases","CYP2 family: drug metabolising subset","CYP1 family","CYP3 family","C2: Calpain","C1: Papain","Other protein targ
ets","Anti-infective targets","Viral protein targets","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{Disease,"Neuronal System","Gene expression (Transcription)","Extracellular matrix organization",Metabolism,"Diseases of programmed cell death","Transmission across Chemical Synapses","RNA Polymerase 
II Transcription","Degradation of the extracellular matrix","Infectious disease","Biological oxidations","Metabolism of lipids","Neurodegenerative Diseases","Neurotransmitter receptors and postsynapti
c signal transmission","Generic Transcription Pathway","Uptake and actions of bacterial toxins","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","
Deregulated CDK5 triggers multiple neurodegenerative pathways in Alzheimer's disease models","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX1","Uptake and fu
nction of anthrax toxins","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Post NMDA receptor activation events","RUNX1 regulates transcription of genes involved in d
ifferentiation of keratinocytes",Xenobiotics,"Biosynthesis of maresins","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2",
"Biosynthesis of maresin-like SPMs","SARS-CoV Infections","SARS-CoV-2 Infection","SARS-CoV-2 Genome Replication and Transcription","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
{}

> <broad_moa>
{"calpain inhibitor"}

> <synonyms>
{calpeptin,117591-20-5,117591205,N-Cbz-leu-nleu-al,NCbzleunleual,Benzylcarbonyl-leu-nleu-H,BenzylcarbonylleunleuH,UNII-18X9FR245W,UNII18X9FR245W,CHEMBL92708,CHEBI:3330,18X9FR245W,ST50826282,"benzyl (S
)-4-methyl-1-oxo-1-((S)-1-oxohexan-2-ylamino)pentan-2-ylcarbamate","benzyl (S)4methyl1oxo1((S)1oxohexan2ylamino)pentan2ylcarbamate","Benzyl N-((1S)-3-methyl-1-(((2S)-1-oxohe","Benzyl N((1S)3methyl1(((
2S)1oxohe",T6432,Calpeptin}

> <pdid>
PD015725

> <targets>
{"Calpain 1(human platelets)","Calpain 1(porcine erythrocytes)","Calpain 2(porcine kidney)",Papainb}

> <classes>
{Proteases/Proteasome}

> <pubchem_cids>
{73364}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 21 21  0  0  0  0            999 V2000
    9.0769  -12.7722    0.0000 C   0  0
    7.7794  -12.0195    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   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
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  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  2  3
 13 14  1  0
 13 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  3
 18 19  1  0
 18 20  1  0
 20 12  1  0
 20 21  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25743

> <plate>
PLATE 002

> <well>
G6

> <supplier_cmpd_name>
Embelin

> <ctcr_id>
3403

> <supplier_cmpd_id>
.

> <smiles>
CCCCCCCCCCCC1=C(O)C(=O)C=C(O)C1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{EMBELIN,550-24-3,550243,"Embelic acid",Emberine,"2,5-dihydroxy-3-undecylcyclohexa-2,5-diene-1,4-dione","2,5dihydroxy3undecylcyclohexa2,5diene1,4dione","2,5-Dihydroxy-3-undecyl-1,4-benzoquinone","2,5D
ihydroxy3undecyl1,4benzoquinone","2,5-Dihydroxy-3-undecyl-p-benzoquinone","2,5Dihydroxy3undecylpbenzoquinone","2,5-Dihydroxy-3-undecyl-2,5-cyclohexadiene-1,4-dione","2,5Dihydroxy3undecyl2,5cyclohexadi
ene1,4dione",UNII-SHC6U8F,UNIISHC6U8F,T6485,S7025,1504074,Embelin}

> <pdid>
PD010648

> <targets>
{Apoptosis,Autophagy,IAP,NF-ºB}

> <classes>
{anthelmintic,oral contraceptive,Apoptosis,Autophagy,NF-ºB}

> <pubchem_cids>
{3218}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 37 41  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    0.0000    1.5000    0.0000 C   0  0  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
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 C   0  0
    0.0000   -7.5000    0.0000 C   0  0  1  0  0  0
   -1.2990   -8.2500    0.0000 C   0  0  1  0  0  0
   -2.5980   -7.5000    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -9.7500    0.0000 C   0  0
    0.0001  -10.5000    0.0000 C   0  0
    1.2991   -9.7500    0.0000 C   0  0
    1.2991   -8.2500    0.0000 C   0  0
    1.2637  -11.2496    0.0000 C   0  0
    2.5802   -8.9697    0.0000 C   0  0
   -2.5987   -9.0004    0.0000 C   0  0
   -3.8983   -8.2513    0.0000 O   0  0
   -2.5982  -10.5004    0.0000 O   0  0
    1.2991   -5.2500    0.0000 C   0  0  2  0  0  0
    1.2991   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
    1.2990   -2.2500    0.0000 C   0  0
    2.5973   -6.0031    0.0000 C   0  0
    2.5952   -7.5031    0.0000 Cl  0  0
   -2.5981   -4.5000    0.0000 C   0  0
   -2.7502    0.4571    0.0000 C   0  0
   -3.2638   -0.9522    0.0000 O   0  0
   -3.7143    1.6063    0.0000 O   0  0
   -1.2623    2.2495    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
    2.5981    1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 11 18  1  6
 17 19  1  0
 17 20  1  0
 12 21  1  1
 21 22  2  0
 21 23  1  0
 10 24  1  0
 24 25  1  0
 26 25  1  1
 26  8  1  0
 26 27  1  0
 27  1  1  0
 27  5  1  0
 27 28  1  1
 24 29  1  6
 29 30  1  0
  8 31  1  1
  4 32  1  0
 32 33  2  0
 32 34  1  0
  4 35  1  1
  3 36  1  1
  2 37  1  1
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25744

> <plate>
PLATE 002

> <well>
G7

> <supplier_cmpd_name>
Senegenin

> <ctcr_id>
11963

> <supplier_cmpd_id>
.

> <smiles>
C1[C@@H]([C@@H]([C@]([C@@H]2CC[C@]3(C4=C([C@H]5[C@@](CC4)(CCC(C5)(C)C)C(=O)O)[C@H](C[C@@H]3[C@@]12C)CCl)C)(C(=O)O)C)O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Tenuigenin,Senegenin,Senegin,2469-34-3,2469343,UNII-06S1QH951L,UNII06S1QH951L,06S1QH951L,"BRN 2714357",C30H45ClO6,"Tenuifolic acid","3-10-00-02482 (Beilstein Handbook Reference)","3100002482 (Beilste
in Handbook Reference)",SCHEMBL4031105,"Senegenin, >=98 (HPLC)",HY-N0802,HYN0802,MFCD00466906,ZINC34039734,AKOS037514836,T3907}

> <pdid>
PD039730

> <targets>
{Caspase-3}

> <classes>
{Apoptosis,Proteases/Proteasome}

> <pubchem_cids>
{12442762}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 33 36  0  0  1  0            999 V2000
    5.8543    1.2993    0.0000 C   0  0
    5.1047    0.0000    0.0000 C   0  0
    6.6047    0.0007    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0  2  0  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
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
   -2.5981   -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
   -5.1953    1.5031    0.0000 C   0  0
   -5.1932    3.0039    0.0000 O   0  0
   -6.4914    3.7570    0.0000 C   0  0  1  0  0  0
   -6.4915    5.2570    0.0000 C   0  0  1  0  0  0
   -7.7905    6.0070    0.0000 C   0  0  2  0  0  0
   -9.0896    5.2570    0.0000 C   0  0  1  0  0  0
   -9.0896    3.7570    0.0000 C   0  0  2  0  0  0
   -7.7906    3.0070    0.0000 O   0  0
  -10.3909    3.0093    0.0000 C   0  0
  -11.6889    3.7612    0.0000 O   0  0
  -10.3886    6.0071    0.0000 O   0  0
   -7.7905    7.5070    0.0000 O   0  0
   -5.1924    6.0070    0.0000 O   0  0
    5.8555   -1.2985    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  4  2  1  6
  4  5  1  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
 10 11  1  0
 11 12  2  0
 12  6  1  0
 12 13  1  0
 13 14  1  0
 11 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 10  1  0
 18 20  1  0
 20 21  1  0
 22 21  1  6
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 26 28  1  6
 28 29  1  0
 25 30  1  1
 24 31  1  6
 23 32  1  1
  2 33  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25745

> <plate>
PLATE 002

> <well>
G8

> <supplier_cmpd_name>
Cimifugin beta-D-glucopyranoside

> <ctcr_id>
11964

> <supplier_cmpd_id>
.

> <smiles>
CC(C)([C@@H]1Cc2c(O1)cc1c(c2OC)c(=O)cc(o1)CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RIMOGLUCOSYLCIMIFUGI,Prim-O-glucosylcimifugin,PrimOglucosylcimifugin,80681-45-4,80681454,"Cimifugin 7-glucoside","Cimifugin 7glucoside",CIMIFUGINBETA-D-GLUCOPYRANOSIDE,CIMIFUGINBETADGLUCOPYRANOSIDE,"
prim-O-glucosyl cimifugin","primOglucosyl cimifugin",prim-O-b-D-Glucosylcimifugin,primObDGlucosylcimifugin,MLS002472946,CHEMBL1734606,DTXSID90554764,HMS2196A10,HY-N0635,HYN0635,C22H28O11,MFCD09037,T38
05,"Cimifugin beta-D-glucopyranoside"}

> <pdid>
PD065217

> <targets>
{TNF-¦Á}

> <classes>
{Apoptosis}

> <pubchem_cids>
{14034912}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 18 20  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
   -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
   -1.2990   -3.7500    0.0000 C   0  0
   -1.6316   -5.2071    0.0000 C   0  0
   -0.6398   -6.3325    0.0000 C   0  0
   -3.1243   -5.3544    0.0000 C   0  0
   -3.8826   -6.6486    0.0000 O   0  0
   -3.7257   -3.9802    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.9630   -2.3780    0.0000 O   0  0
   -2.5981    0.0000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  6
  8  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15  9  1  0
 15 16  1  0
 16  6  1  0
 15 17  1  6
  6 18  1  6
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25746

> <plate>
PLATE 002

> <well>
G9

> <supplier_cmpd_name>
Atractylenolide III

> <ctcr_id>
11965

> <supplier_cmpd_id>
.

> <smiles>
C=C1CCC[C@]2([C@H]1CC1=C(C)C(=O)O[C@]1(C2)O)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Atractylenolide III",73030-71-4,73030714,Codonolactone,8beta-Hydroxyasterolide,8betaHydroxyasterolide,8-Hydroxyasterolide,8Hydroxyasterolide,CHEMBL486961,CHEBI:69958,AtractylenolideIII,MFCD00238543,
"8,12-EPOXYEUDESMA-4(14),7(11)-DIEN-8-OL-12-ONE","8,12EPOXYEUDESMA4(14),7(11)DIEN8OL12ONE",Atractylenolide-III,"HSDB 8108",Atr,T3902}

> <pdid>
PD052467

> <targets>
{"Apoptosis inducer"}

> <classes>
{Apoptosis}

> <pubchem_cids>
{155948}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 22 24  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -5.1984    1.4977    0.0000 O   0  0
   -6.4964    0.7459    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
    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
    6.4923    3.7567    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11  1  1  0
  8 12  1  0
  7 13  1  0
 13 14  1  0
  6 15  1  0
  2 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
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25747

> <plate>
PLATE 002

> <well>
G10

> <supplier_cmpd_name>
Tectorigenin

> <ctcr_id>
11966

> <supplier_cmpd_id>
.

> <smiles>
c1c(c(=O)c2c(c(c(cc2o1)O)OC)O)c1ccc(cc1)O

> <pd_targets>
{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>
{"Signal Transduction","Signaling by GPCR","GPCR downstream signalling","G alpha (q) signalling events","Gastrin-CREB signalling pathway via PKC and MAPK","EGFR Transactivation by Gastrin"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Tectorigenin,548-77-6,548776,"5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-one","5,7dihydroxy3(4hydroxyphenyl)6methoxy4Hchromen4one","4',5,7-Trihydroxy-6-methoxyisoflavone","4',5,7Trihydr
oxy6methoxyisoflavone",UNII-855130H9CO,UNII855130H9CO,"4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-","4H1Benzopyran4one, 5,7dihydroxy3(4hydroxyphenyl)6methoxy",5,7,4'-Trihydroxy
-6-methoxyiso,4'Trihydroxy6methoxyiso,T3488}

> <pdid>
PD065304

> <targets>
{"Apoptosis inducer"}

> <classes>
{Apoptosis}

> <pubchem_cids>
{5281811}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 32 36  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
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1962   -1.5000    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0  1  0  0  0
   -6.4952   -3.7501    0.0000 C   0  0
   -6.4952   -5.2501    0.0000 C   0  0  2  0  0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -3.0000    0.0000 C   0  0  1  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
   -2.5981   -4.5000    0.0000 C   0  0
   -7.7942   -6.0001    0.0000 O   0  0
   -6.4598   -2.2505    0.0000 C   0  0
   -7.7762   -4.5304    0.0000 C   0  0
   -2.5981   -0.5000    0.0000 C   0  0
   -2.1651   -0.2500    0.0000 C   0  0
    2.7117    1.2364    0.0000 C   0  0
    3.6011    0.0286    0.0000 C   0  0
    2.7272   -1.1906    0.0000 C   0  0  1  0  0  0
    3.2014   -2.6119    0.0000 C   0  0
    4.6708   -2.9132    0.0000 C   0  0
    2.2062   -3.7342    0.0000 C   0  0
    2.5494   -0.0843    0.0000 C   0  0
    2.4863   -1.0823    0.0000 O   0  0
  1  2  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  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
 14 15  1  0
 15  6  1  0
 15 16  1  6
 16 17  1  0
 18 17  1  1
 18  1  1  0
 18  5  1  0
 14 19  1  6
 11 20  1  6
 10 21  1  0
 10 22  1  0
  6 23  1  6
  5 24  1  1
  2 25  1  0
 25 26  1  0
 26 27  1  0
 27  1  1  0
 27 28  1  1
 28 29  2  0
 28 30  1  0
  2 31  1  6
 31 32  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25748

> <plate>
PLATE 002

> <well>
G11

> <supplier_cmpd_name>
Betulinaldehyde

> <ctcr_id>
11967

> <supplier_cmpd_id>
.

> <smiles>
[C@H]12[C@@](CC[C@]3([C@@]4(CC[C@H]5C([C@H](CC[C@@]5([C@H]4CC[C@H]13)C)O)(C)C)C)C)(CC[C@H]2C(=C)C)C=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BETULINALDEHYDE,13159-28-9,13159289,"Betulinic aldehyde",Betulinicaldehyde,Betulinal,Betunal,"Betulin aldehyde","Lup-20(29)-en-28-al, 3beta-hydroxy-","Lup20(29)en28al, 3betahydroxy","NSC 250423",SCHE
MBL208983,CHEMBL512622,HY-N0084,HYN0084,ZINC5158349,MFCD12407180,s9153,AKOS016009535,CCG-,CCG,T3796,Betulinaldehyde}

> <pdid>
PD012305

> <targets>
{"Apoptosis inducer"}

> <classes>
{Apoptosis}

> <pubchem_cids>
{99615}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 25 25  0  0  1  0            999 V2000
    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
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0  2  0  0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    7.7794  -12.0195    0.0000 C   0  0
    9.0776  -12.7726    0.0000 C   0  0
    9.0755  -14.2734    0.0000 C   0  0
   10.3737  -15.0265    0.0000 C   0  0
   10.3716  -16.5265    0.0000 C   0  0
    6.4897   -5.2632    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
    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
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
  6 16  1  1
  1 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
 19 24  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25749

> <plate>
PLATE 002

> <well>
H2

> <supplier_cmpd_name>
10-Gingerol

> <ctcr_id>
11968

> <supplier_cmpd_id>
.

> <smiles>
C(CC(=O)C[C@H](CCCCCCCCC)O)c1cc(c(cc1)O)OC

> <pd_targets>
{CYP2C19,CYP1A2,CYP2C9,CYP3A4,CYP2B6,CYP2C8,TRPA1,CYP2D6,CYP2A6,CYP2E1,HTR1A,LTA4H,TRPV1}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Membrane receptor","Cytochrome P450","Voltage-gated ion channel","Family A G protein-coupled receptor","Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 fam
ily 3","Transient receptor potential channel","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Cytochrome P450 family 2B",
"Cytochrome P450 family 2D","Cytochrome P450 family 2A","Cytochrome P450 family 2E","Monoamine receptor","Cytochrome P450 2C19","Cytochrome P450 1A1","Cytochrome P450 2C9","Cytochrome P450 3A4","Cytoc
hrome P450 2B6","Cytochrome P450 2C8","Cytochrome P450 2D6","Cytochrome P450 2A6","Cytochrome P450 2E1","Serotonin receptor",Protease,"Metallo protease","Metallo protease MAE clan","Metallo protease M
1 family"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Cytochrome P450","Voltage-gated ion channels","G protein-coupled receptors","CYP2 family: drug metabolising subset","CYP1 family","CYP3 family","Transient Receptor P
otential channels","5-Hydroxytryptamine receptors","Peptidases and proteinases","MA: Metallo (M) Peptidases","M1: Aminopeptidase N"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Signal Transduction","Biological oxidations","Metabolism of lipids","Ion channel transport","Signaling by GPCR","Phase I - Functionalization of compounds","
Biosynthesis of specialized proresolving mediators (SPMs)","Stimuli-sensing channels","GPCR ligand binding","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","TRP chann
els","Class A/1 (Rhodopsin-like receptors)",Xenobiotics,"Biosynthesis of maresins","Amine ligand-binding receptors","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2
","Biosynthesis of maresin-like SPMs","Serotonin receptors","Biosynthesis of aspirin-triggered D-series resolvins"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{0GINGERO,10-Gingerol,10Gingerol,23513-15-7,23513157,(10)-Gingerol,(10)Gingerol,(S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone,(S)5Hydroxy1(4hydroxy3methoxyphenyl)3tetradecanone,UNII-ND6Z
LI4J0V,UNIIND6ZLI4J0V,ND6ZLI4J0V,CHEMBL549472,CHEBI:81134,"(S)- 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone","(S) 5Hydroxy1(4hydroxy3methoxyphenyl)3tetradecanone",MFCD01682694,5-hydroxy-1-
(4-hyd,5hydroxy1(4hyd,T6S1684,T3908,8-Gingerol}

> <pdid>
PD015674

> <targets>
{"Apoptosis inducer"}

> <classes>
{Apoptosis}

> <pubchem_cids>
{168115}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 37 39  0  0  0  0            999 V2000
    5.1933   -1.5062    0.0000 C   0  0
    5.1929   -3.0062    0.0000 C   0  0
    6.4919   -3.7562    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 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
    3.8912   -5.2578    0.0000 C   0  0
    3.0243   -5.7563    0.0000 O   0  0
    5.1894   -6.0109    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    3.8847   -8.2572    0.0000 C   0  0
    2.5873   -7.5027    0.0000 C   0  0
    2.5908   -6.5027    0.0000 O   0  0
    1.2854   -8.2477    0.0000 O   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 C   0  0
    7.7815  -10.5187    0.0000 O   0  0
    7.7794  -12.0195    0.0000 C   0  0
    9.0758  -12.7741    0.0000 C   0  0
   10.3775  -12.0287    0.0000 F   0  0
    9.0706  -14.2741    0.0000 C   0  0
    7.7690  -15.0196    0.0000 C   0  0
    6.4726  -14.2651    0.0000 C   0  0
    6.4778  -12.7651    0.0000 C   0  0
    5.1813  -12.0107    0.0000 F   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  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
  4 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 21 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
 31 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 30  1  0
 36 37  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25750

> <plate>
PLATE 002

> <well>
H3

> <supplier_cmpd_name>
Q-VD-OPH

> <ctcr_id>
375

> <supplier_cmpd_id>
.

> <smiles>
CC(C)C(NC(=O)c1ccc2ccccc2n1)C(=O)NC(CC(O)=O)C(=O)COc3c(F)cccc3F

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{QVD-OPH,QVDOPH,SCHEMBL15947165,NCGC00389721-01,NCGC0038972101,AK516611,J3.615.037H,J-002995,J002995,T0282,S7311,Q-VD-OPH,Q-VD-OPh}

> <pdid>
PD018761

> <targets>
{Caspase}

> <classes>
{}

> <pubchem_cids>
{11237609}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 31 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 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
   -2.7343   -2.9815    0.0000 N   0  0
   -4.2010   -3.2957    0.0000 N   0  0
   -4.9530   -1.9978    0.0000 C   0  0
   -3.9511   -0.8815    0.0000 N   0  0
   -4.2568    0.5878    0.0000 C   0  0
   -3.8976    1.9590    0.0000 C   0  0
   -5.3308    1.5164    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 N   0  0
    5.1924   -7.5078    0.0000 N   0  0
    3.9802   -8.3695    0.0000 C   0  0
    4.4460   -9.7954    0.0000 N   0  0
    5.9460   -9.7931    0.0000 C   0  0
    6.4072   -8.3657    0.0000 C   0  0
    6.8300  -11.0058    0.0000 C   0  0
    7.0609  -12.4045    0.0000 C   0  0
    8.1893  -11.4162    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  2  0
  9  4  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 10  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 15  1  0
  2 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
 20 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 24  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 29  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25751

> <plate>
PLATE 002

> <well>
H4

> <supplier_cmpd_name>
GS-444217

> <ctcr_id>
11969

> <supplier_cmpd_id>
.

> <smiles>
O=C(Nc1cccc(c1)-c1nncn1C1CC1)c1cc(ccn1)-n1cnc(c1)C1CC1

> <pd_targets>
{MAP3K5}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","STE protein kinase group","STE protein kinase STE11 family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","STE11 family"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Cellular responses to stress","Cellular Senescence","Oxidative Stress Induced Senescence"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{S44421,ASK1-IN-1,ASK1IN1,1262041-49-5,1262041495,GS-444217,GS444217,SCHEMBL945832,ASK1-IN-110,ASK1IN110,GTPL10430,BCP19368,EX-A1958,EXA1958,ZINC114896012,CS-6062,CS6062,BS-14858,BS14858,HY-100844,HY1
00844,S0067,S0L,T5190}

> <pdid>
PD103098

> <targets>
{ASK1}

> <classes>
{Apoptosis}

> <pubchem_cids>
{57504987}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 35 38  0  0  0  0            999 V2000
    5.1983   -3.0012    0.0000 C   0  0
    5.1978   -4.5012    0.0000 O   0  0
    3.8985   -2.2508    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -2.1880    3.7544    0.0000 C   0  0
   -2.6518    5.1810    0.0000 C   0  0
   -1.6483    6.2959    0.0000 C   0  0
   -0.1810    5.9844    0.0000 C   0  0
    0.2828    4.5579    0.0000 C   0  0
   -0.7207    3.4429    0.0000 C   0  0
   -4.6589    2.9478    0.0000 N   0  0
   -5.1253    4.3743    0.0000 C   0  0
   -6.5925    4.6864    0.0000 C   0  0
   -7.0558    6.1131    0.0000 C   0  0
   -6.0520    7.2277    0.0000 C   0  0
   -4.5848    6.9156    0.0000 C   0  0
   -4.1215    5.4889    0.0000 C   0  0
   -6.5126    8.6561    0.0000 C   0  0
   -5.5066    9.7698    0.0000 N   0  0
   -5.9670   11.1974    0.0000 C   0  0
   -4.0400    9.4552    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4985   -2.2516    0.0000 N   0  0
    7.7983   -3.0020    0.0000 C   0  0
    9.0978   -2.2529    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  3  4  3  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 10 17  1  0
 17 18  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
 21 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
  9 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31  8  1  0
 31 32  2  0
 32  5  1  0
  1 33  1  0
 33 34  1  0
 34 35  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25752

> <plate>
PLATE 002

> <well>
H5

> <supplier_cmpd_name>
BI-847325

> <ctcr_id>
11631

> <supplier_cmpd_id>
.

> <smiles>
C(=O)(C#Cc1ccc2/C(=C(\c3ccccc3)/Nc3ccc(cc3)CN(C)C)/C(=O)Nc2c1)NCC

> <pd_targets>
{AURKB-B,MAP2K1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","STE protein kinase group","Other protein kinase AUR family","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>
{AURKA,AURKB,AURKC,MAP2K1,MAP2K2}

> <broad_moa>
{"Aurora kinase inhibitor","MEK inhibitor"}

> <synonyms>
{I84732,1207293-36-4,1207293364,BI-847325,BI847325,hylpropiolamide,"BI 847325",5U5,SCHEMBL4081822,CHEMBL3699142,CHEMBL4303500,SCHEMBL10326049,BDBM142744,BCP15994,EX-A1727,EXA1727,NSC799360,s7843,AKOS0
30238788,ZINC143989489,ZINC143989696,ACN-037512,ACN037512,CCG-269395,CCG269395,CS-6291,CS6291,NSC-799360,SB2,T6785}

> <pdid>
PD017275

> <targets>
{MEK,"Aurora Kinase","Aurora A (Human)","Aurora B (Xenopus laevis)","Aurora C (Human)",MEK1,MEK2,Apoptosis}

> <classes>
{Cell Cycle/Checkpoint,MAPK,Chromatin/Epigenetic,Apoptosis,Cell Cycle/DNA Damage,Epigenetics,MAPK/ERK Pathway}

> <pubchem_cids>
{135567102}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 42 46  0  0  1  0            999 V2000
    3.3095    5.8166    0.0000 O   0  0
    4.3958    4.7822    0.0000 C   0  0
    4.0431    3.3260    0.0000 C   0  0  2  0  0  0
    5.0174    2.1855    0.0000 N   0  0
    4.2337    0.9065    0.0000 C   0  0  1  0  0  0
    4.8418   -0.4630    0.0000 C   0  0
    6.3342   -0.6221    0.0000 C   0  0
    6.9432   -1.9929    0.0000 C   0  0
    7.2173    0.5904    0.0000 C   0  0
    7.8258   -0.7804    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0  2  0  0  0
    2.6573    2.7519    0.0000 C   0  0  1  0  0  0
    1.3915    3.5581    0.0000 C   0  0
    0.1082    2.7787    0.0000 C   0  0
   -1.2052    3.5031    0.0000 C   0  0
   -1.2346    5.0028    0.0000 C   0  0
    0.0495    5.7781    0.0000 C   0  0
    0.0202    7.2778    0.0000 Cl  0  0
    1.3630    5.0537    0.0000 C   0  0
    2.6473    5.8286    0.0000 F   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
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    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
    5.8354    5.2065    0.0000 N   0  0
    6.1887    6.6651    0.0000 C   0  0
    5.1006    7.6977    0.0000 C   0  0
    5.4507    9.1563    0.0000 C   0  0
    6.8889    9.5823    0.0000 C   0  0
    7.2423   11.0410    0.0000 C   0  0
    8.6811   11.4650    0.0000 O   0  0
    6.1560   12.0754    0.0000 N   0  0
    7.9770    8.5498    0.0000 C   0  0
    7.6269    7.0913    0.0000 C   0  0
    8.7177    6.0605    0.0000 O   0  0
   10.1553    6.4886    0.0000 C   0  0
  1  2  2  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  5 11  1  0
 11 12  1  0
 12  3  1  0
 12 13  1  1
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 13  1  0
 19 20  1  0
 11 21  1  1
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 11  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 24  1  0
  2 31  1  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
 36 38  1  0
 35 39  1  0
 39 40  2  0
 40 32  1  0
 40 41  1  0
 41 42  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25753

> <plate>
PLATE 002

> <well>
H6

> <supplier_cmpd_name>
RO8994

> <ctcr_id>
11970

> <supplier_cmpd_id>
.

> <smiles>
O=C([C@@H]1N[C@@H](CC(C)(C)C)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1c2ccc(Cl)c1)Nc1ccc(C(=O)N)cc1OC

> <pd_targets>
{MDM2}

> <pathway_gtopdb>
{Enzyme,Ligase}

> <pathway_chembl>
{Enzymes,"E3 ubiquitin ligase components"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Expression a
nd Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RO8994,1309684-94-3,1309684943,CHEMBL3109036,RO-8994,C31H31Cl2FN4O4,SCHEMBL221002,EX-A2405,EXA2405,BDBM50446191,ZINC103253989,CS-5002,CS5002,HY-16999,HY16999,T3517}

> <pdid>
PD065111

> <targets>
{Mdm2,P53}

> <classes>
{Apoptosis}

> <pubchem_cids>
{53238217}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 28 31  0  0  0  0            999 V2000
    2.5983   -3.0004    0.0000 O   0  0
    2.5988   -1.5004    0.0000 S   0  0
    1.2996   -2.2502    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
   -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
   -2.6011   -3.0008    0.0000 N   0  0
   -3.9020   -3.7494    0.0000 C   0  0
   -5.2513   -3.1239    0.0000 N   0  0
   -6.2587   -4.2353    0.0000 N   0  0
   -5.5132   -5.5360    0.0000 C   0  0
   -4.0449   -5.2290    0.0000 C   0  0
   -3.0449   -6.3470    0.0000 C   0  0
   -3.5132   -7.7721    0.0000 C   0  0
   -2.5132   -8.8901    0.0000 F   0  0
   -4.9814   -8.0791    0.0000 C   0  0
   -5.9814   -6.9611    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7508    0.0000 C   0  0
    5.1981   -1.5008    0.0000 C   0  0
    3.8995    0.7492    0.0000 C   0  0
    5.1982   -0.0010    0.0000 C   0  0
  1  2  2  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 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  1  0
 16 17  2  0
 17 13  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 16  1  0
 11 23  1  0
 23  7  1  0
 23 24  2  0
 24  4  1  0
  2 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25754

> <plate>
PLATE 002

> <well>
H7

> <supplier_cmpd_name>
GSK583

> <ctcr_id>
11971

> <supplier_cmpd_id>
.

> <smiles>
O=S(=O)(c1ccc2nccc(Nc3n[nH]c4c3cc(F)cc4)c2c1)C(C)(C)C

> <pd_targets>
{RIPK2,MAPK14,GAK,TGFBR1,LCK,RIPK3,GSC2,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,Transferase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","TKL protein kinase group","CMGC protein kinase group","Other protein kinase group","TK prote
in kinase group","Voltage-gated potassium channel","TKL protein kinase RIPK family","CMGC protein kinase MAPK family","Other protein kinase NAK family","TKL protein kinase STKR family","Tyrosine prote
in kinase Src family","CMGC protein kinase p38 subfamily","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Catalytic receptors","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Potassium channels","TKL
: Tyrosine kinase-like","Mitogen-activated protein kinases (MAP kinases)","Other protein kinases","TK: Tyrosine kinase","Voltage-gated potassium channels","Receptor interacting protein kinase (RIPK) f
amily","p38 subfamily","Numb-associated kinase (NAK) family","Receptor serine/threonine kinase (RSTK) family","Non-receptor tyrosine kinases (nRTKs)","Type I receptor serine/threonine kinases","Src fa
mily"}

> <pathway_reactome>
{"Immune System","Vesicle-mediated transport",Disease,"Muscle contraction","Innate Immune System","Membrane Trafficking","Diseases of signal transduction by growth factor receptors and second messenge
rs","Infectious disease","Cardiac conduction","Toll-like Receptor Cascades","trans-Golgi Network Vesicle Budding","Signaling by TGF-beta Receptor Complex in Cancer","HIV Infection","Phase 3 - rapid re
polarisation","Toll Like Receptor 5 (TLR5) Cascade","Golgi Associated Vesicle Biogenesis","Loss of Function of SMAD2/3 in Cancer","Host Interactions of HIV factors","Toll Like Receptor 4 (TLR4) Cascad
e","MyD88 cascade initiated on plasma membrane","SMAD2/3 Phosphorylation Motif Mutants in Cancer","The role of Nef in HIV-1 replication and disease pathogenesis","MyD88-independent TLR4 cascade","MAP 
kinase activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","TRIF(TICAM1)-mediated TLR4 signaling","activated TAK1 mediates p38 MAPK activation"
,"MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","IKK complex recruitment mediated by RIP1","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{GSK583,1346547-00-9,1346547009,GSK-583,CHEMBL3823499,6-(Tert-Butylsulfonyl)-N-(5-Fluoro-2h-Indazol-3-Yl)quinolin-4-Amine,6(TertButylsulfonyl)N(5Fluoro2hIndazol3Yl)quinolin4Amine,6-tert-butylsulfonyl-
N-(5-fluoro-1H-indazol-3-yl)quinolin-4-amine,6tertbutylsulfonylN(5fluoro1Hindazol3yl)quinolin4amine,N-(5-fluoro-1H-indazol-3-yl)-6-(2-methylpropane-2-sulfonyl)quinolin-4-am,N(5fluoro1Hindazol3yl)6(2me
thylpropane2sulfonyl)quinolin4am,T3537}

> <pdid>
PD049179

> <targets>
{NF-?B,RIP1,RIP3}

> <classes>
{Apoptosis}

> <pubchem_cids>
{67469084}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 30 33  0  0  0  0            999 V2000
    7.3571   -3.3578    0.0000 C   0  0
    6.8943   -4.7846    0.0000 O   0  0
    8.8251   -3.0455    0.0000 C   0  0
    9.8313   -4.1579    0.0000 C   0  0
   11.2979   -3.8428    0.0000 C   0  0
   11.7582   -2.4152    0.0000 N   0  0
   10.7520   -1.3027    0.0000 C   0  0
    9.2855   -1.6178    0.0000 C   0  0
    6.3519   -2.2433    0.0000 N   0  0
    4.8840   -2.5557    0.0000 C   0  0
    3.8788   -1.4412    0.0000 C   0  0
    5.3458   -1.1283    0.0000 C   0  0
    4.3416   -0.0143    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
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
   -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
   -1.0353   -6.6562    0.0000 C   0  0
   -0.1183   -5.4691    0.0000 C   0  0
   -3.4388   -7.6426    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   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
  1  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  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
 20 21  1  0
 21 22  2  0
 22 14  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
 26 29  1  0
 19 30  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25755

> <plate>
PLATE 002

> <well>
H8

> <supplier_cmpd_name>
WEHI-345

> <ctcr_id>
11972

> <supplier_cmpd_id>
.

> <smiles>
C(=O)(c1ccncc1)NCC(C)(C)n1c2ncnc(c2c(n1)c1ccc(cc1)C)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{EHI34,WEHI-345,WEHI345,1354825-58-3,1354825583,SCHEMBL10098386,BCP23889,EX-A2484,EXA2484,ZINC146915487,CS-5045,CS5045,SB19014,HY-18937,HY18937,T3997}

> <pdid>
PD064094

> <targets>
{RIPK2,RIP kinase}

> <classes>
{Apoptosis}

> <pubchem_cids>
{56602554}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 48 55  0  0  0  0            999 V2000
   -6.7848   -6.8913    0.0000 C   0  0
   -6.7786   -5.3913    0.0000 C   0  0
   -8.0745   -4.6359    0.0000 C   0  0
   -8.0682   -3.1359    0.0000 C   0  0
   -6.7661   -2.3913    0.0000 C   0  0
   -5.4702   -3.1467    0.0000 C   0  0
   -5.4764   -4.6467    0.0000 C   0  0
   -7.0714   -0.9235    0.0000 N   0  0
   -8.5626   -0.7605    0.0000 C   0  0
   -9.3090    0.5385    0.0000 C   0  0
   -8.5567    1.8372    0.0000 N   0  0
   -9.3044    3.1385    0.0000 C   0  0
   -8.5521    4.4372    0.0000 C   0  0
   -9.2998    5.7385    0.0000 N   0  0
   -8.5476    7.0372    0.0000 C   0  0
   -9.2953    8.3385    0.0000 C   0  0
  -10.7755    8.4825    0.0000 N   0  0
  -11.0809    9.9502    0.0000 C   0  0
   -9.7788   10.6949    0.0000 C   0  0
   -8.6687    9.6873    0.0000 N   0  0
   -9.7726   12.1948    0.0000 C   0  0
  -11.0685   12.9502    0.0000 C   0  0
  -11.0644   13.9502    0.0000 C   0  0
  -12.3707   12.2056    0.0000 C   0  0
  -12.3769   10.7056    0.0000 C   0  0
  -10.8007    5.7442    0.0000 C   0  0
  -11.5569    4.4478    0.0000 C   0  0
  -13.0380    4.3135    0.0000 N   0  0
  -13.3530    2.8478    0.0000 C   0  0
  -12.0557    2.0946    0.0000 C   0  0
  -10.9390    3.0949    0.0000 N   0  0
  -12.0593    0.5946    0.0000 C   0  0
  -13.3602   -0.1522    0.0000 C   0  0
  -13.3626   -1.1522    0.0000 C   0  0
  -14.6574    0.6009    0.0000 C   0  0
  -14.6538    2.1009    0.0000 C   0  0
   -7.0559    1.8377    0.0000 C   0  0
   -6.3050    3.1372    0.0000 C   0  0
   -4.8244    3.2776    0.0000 N   0  0
   -4.5155    4.7446    0.0000 C   0  0
   -5.8158    5.4924    0.0000 C   0  0
   -6.9284    4.4875    0.0000 N   0  0
   -5.8184    6.9924    0.0000 C   0  0
   -4.5206    7.7446    0.0000 C   0  0
   -4.5232    9.2446    0.0000 C   0  0
   -3.2203    6.9968    0.0000 C   0  0
   -3.2177    5.4968    0.0000 C   0  0
   -9.1784   -2.1283    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 16  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 18  1  0
 14 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 27  1  0
 30 32  1  0
 32 33  2  0
 33 34  1  0
 33 35  1  0
 35 36  2  0
 36 29  1  0
 11 37  1  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 38  1  0
 41 43  1  0
 43 44  2  0
 44 45  1  0
 44 46  1  0
 46 47  2  0
 47 40  1  0
  9 48  1  0
 48  4  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25756

> <plate>
PLATE 002

> <well>
H9

> <supplier_cmpd_name>
NSC348884

> <ctcr_id>
11973

> <supplier_cmpd_id>
.

> <smiles>
Cc1cc2c(cc1)nc(CN(CCN(Cc1nc3c([nH]1)cc(C)cc3)Cc1nc3c([nH]1)cc(C)cc3)Cc1nc3c([nH]1)cc(C)cc3)[nH]2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NSC348884,81624-55-7,81624557,"NSC 348884",NSC-348884,"N,N,N',N'-tetrakis((6-methyl-1H-benzimidazol-2-yl)methyl)ethane-1,2-diamine","N,N,N',N'tetrakis((6methyl1Hbenzimidazol2yl)methyl)ethane1,2diamin
e","NSC348884 hydrate",CHEMBL4584341,SCHEMBL12126212,DTXSID90319638,BCP09001,EX-A2342,EXA2342,s8149,ZINC77029766,ACN-052933,ACN052933,BCP900099,T6909}

> <pdid>
PD016716

> <targets>
{nucleophosmin}

> <classes>
{Apoptosis}

> <pubchem_cids>
{335974}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 32 35  0  0  0  0            999 V2000
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 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
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2990    5.2500    0.0000 Cl  0  0
    6.4931   -3.7570    0.0000 S   0  0
    7.7931   -3.0086    0.0000 O   0  0
    6.4952   -2.2570    0.0000 O   0  0
    6.4917   -5.2578    0.0000 C   0  0
    7.7900   -6.0091    0.0000 C   0  0
    7.7886   -7.5091    0.0000 C   0  0
    6.4888   -8.2578    0.0000 C   0  0
    5.1905   -7.5066    0.0000 C   0  0
    5.1919   -6.0066    0.0000 C   0  0
    6.4843   -9.7587    0.0000 N   0  3
    5.1835  -10.5056    0.0000 O   0  0
    7.7813  -10.5121    0.0000 O   0  5
    9.0920   -5.2626    0.0000 N   0  3
   10.3893   -6.0156    0.0000 O   0  0
    9.0961   -3.7626    0.0000 O   0  5
  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
  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 15  1  0
 15 16  2  0
 16  7  1  0
 11 17  1  0
  3 18  1  0
 18 19  2  0
 18 20  2  0
 18 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 24 27  1  0
 27 28  2  0
 27 29  1  0
 22 30  1  0
 30 31  2  0
 30 32  1  0
M  CHG  4  27   1  29  -1  30   1  32  -1
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25757

> <plate>
PLATE 002

> <well>
H10

> <supplier_cmpd_name>
VR23

> <ctcr_id>
11804

> <supplier_cmpd_id>
.

> <smiles>
C1CN(CCN1c1c2ccc(cc2ncc1)Cl)S(=O)(=O)c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{VR23,1624602-30-7,1624602307,"7-chloro-4-(4-((2,4-dinitrophenyl)sulfonyl)piperazin-1-yl)quinoline","7chloro4(4((2,4dinitrophenyl)sulfonyl)piperazin1yl)quinoline","Quinoline, 7-chloro-4-(4-((2,4-dinit
rophenyl)sulfonyl)-1-piperazinyl)-","Quinoline, 7chloro4(4((2,4dinitrophenyl)sulfonyl)1piperazinyl)","7-chloro-4-(4-(2,4-dinitrophenyl)sulfonylpiperazin-1-yl)quinoline","7chloro4(4(2,4dinitrophenyl)su
lfonylpiperazin1yl)quinoline",SCHEMBL16013619,VR-23,T7016}

> <pdid>
PD012286

> <targets>
{"Caspase-like proteasomes","Chymotrypsin-like proteasomes","Trypsin-like proteasomes"}

> <classes>
{Apoptosis,Proteases/Proteasome,Ubiquitination}

> <pubchem_cids>
{73442847}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 33 37  0  0  0  0            999 V2000
    5.1894   -6.0109    0.0000 N   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 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
   -0.3115    2.9665    0.0000 C   0  0
    0.6890    4.0818    0.0000 C   0  0
    2.1578    3.7735    0.0000 C   0  0
    2.7474    2.4081    0.0000 C   0  0
    4.2391    2.5658    0.0000 N   0  0
    4.5496    4.0325    0.0000 C   0  0
    3.2501    4.7817    0.0000 C   0  0
    3.2491    6.2817    0.0000 C   0  0
    4.5477    7.0325    0.0000 C   0  0
    5.8472    6.2833    0.0000 C   0  0
    5.8482    4.7833    0.0000 C   0  0
    4.5498    8.5333    0.0000 O   0  0
    5.8495    9.2823    0.0000 C   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.5533    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  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  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 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 17  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 15 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 14  2  0
 31 32  1  0
 32 33  2  0
 33 12  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25758

> <plate>
PLATE 002

> <well>
H11

> <supplier_cmpd_name>
DEL-22379

> <ctcr_id>
11974

> <supplier_cmpd_id>
.

> <smiles>
N1(CCCCC1)CCC(=O)Nc1cc2/C(=C\c3c[nH]c4c3cc(cc4)OC)/C(=O)Nc2cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{EL2237,DEL-22379,DEL22379,181223-80-3,181223803,SCHEMBL6266403,SCHEMBL8428761,ZINC838770,AC-29889,AC29889,AS-56081,AS56081,T6818}

> <pdid>
PD021514

> <targets>
{ERK}

> <classes>
{MAPK}

> <pubchem_cids>
{67583183}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 17 17  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8926   -3.7566    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4983    0.7413    0.0000 C   0  0
   -6.5006    2.2411    0.0000 C   0  0
   -5.2029    2.9932    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25759

> <plate>
PLATE 003

> <well>
A2

> <supplier_cmpd_name>
CPI-1189

> <ctcr_id>
11975

> <supplier_cmpd_id>
.

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{TNF}

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

> <synonyms>
{PI118,CPI-1189,CPI1189,183619-38-7,183619387,4-Acetamido-N-tert-butylbenzamide,4AcetamidoNtertbutylbenzamide,REN-1189,REN1189,"Cpi 1189",4-acetamido-n-(tert-butyl)benzamide,4acetamidon(tertbutyl)benz
amide,UNII-9JX1L8VH4Z,UNII9JX1L8VH4Z,CP1-1189,CP11189,9JX1L8VH4Z,N-tert-butyl-4-acetamidobenzamide,Ntertbutyl4acetamidobenzamide,Oprea1_675160,Oprea1675160,Oprea1-675160,"Oprea1 675160",REN-1654,REN16
54,"LU 02-584","LU 02584",4-(Acetylamino)-N-(1,4(Acetylamino)N(1,1-dimeth,1dimeth,T3561}

> <pdid>
PD058142

> <targets>
{TNF-¦Á}

> <classes>
{Apoptosis}

> <pubchem_cids>
{151118}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 21 20  0  0  1  0            999 V2000
    7.5973    0.8802    0.0000 Cl  0  5
    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 C   0  0  2  0  0  0
   -4.0317   -0.7359    0.0000 N   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -6.2524    0.2436    0.0000 C   0  0  1  0  0  0
   -7.7447    0.3952    0.0000 O   0  0
   -5.2526    1.3618    0.0000 C   0  0  2  0  0  0
   -5.5610    2.8279    0.0000 O   0  0
   -6.9870    3.2956    0.0000 C   0  0
   -8.1042    2.2947    0.0000 C   0  0
   -7.2957    4.7635    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.0973    0.8802    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  9  8  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  1
 12 14  1  0
 14  9  1  0
 14 15  1  6
 15 16  1  0
 16 17  1  0
 16 18  2  0
  7 19  1  0
 19 20  2  0
 20  4  1  0
M  CHG  2   1  -1  21   1
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25760

> <plate>
PLATE 003

> <well>
A3

> <supplier_cmpd_name>
Anisomycin

> <ctcr_id>
932

> <supplier_cmpd_id>
.

> <smiles>
[Cl-].COc1ccc(C[C@@H]2NC[C@@H](O)[C@@H]2OC(C)=O)cc1.[H+]

> <pd_targets>
{LMGT2,HSF1,SLC2A1,REP,HT1,RORC}

> <pathway_gtopdb>
{Transporter,"Other cytosolic protein",Enzyme,"Transcription factor","Electrochemical transporter","Nuclear receptor","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1","SLC02
 family of hexose and sugar alcohol transporters","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Transporters,"Other protein targets",Receptors,"SLC superfamily of solute carriers","Anti-infective targets","Nuclear hormone receptors","SLC2 family of hexose and sugar alcohol transporters","Viral 
protein targets","1F. Retinoic acid-related orphans","Class I transporters","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Disease,"Gene expression (Transcription)","Cellular responses to stress","Disorders of transmembrane transporters","Infectious disease","RNA Polymerase II Tra
nscription","Cellular response to heat stress","SLC transporter disorders","SARS-CoV Infections","Generic Transcription Pathway","HSF1-dependent transactivation","Defective SLC2A1 causes GLUT1 deficie
ncy syndrome 1 (GLUT1DS1)","SARS-CoV-1 Infection","Transcriptional regulation by RUNX3","Attenuation phase","SARS-CoV-1 Genome Replication and Transcription","RUNX3 Regulates Immune Response and Cell 
Migration","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
{NHP2L1,RPL10L,RPL11,RPL13A,RPL15,RPL19,RPL23,RPL23A,RPL26L1,RPL3,RPL37,RPL8,RSL24D1}

> <broad_moa>
{"DNA synthesis inhibitor"}

> <synonyms>
{UNII-6CQU2V295F,UNII6CQU2V295F,6CQU2V295F,22862-75-5,22862755,"Anisomycin, hydrochloride",NSC147340,"NSC 147340",MLS002702945,"ANISOMYCIN - HCL","ANISOMYCIN  HCL",SCHEMBL1003579,CHEMBL1998740,DTXSID0
0177403,NSC-147340,3,2-(p-methoxybenzyl)-,2(pmethoxybenzyl),3-acetate,3acetate,hydrochloride,cis-2,cis2,trans-3,trans3,4,T6758,Anisomycin}

> <pdid>
PD005847

> <targets>
{JNK,Antibiotic,Apoptosis,Bacterial,"DNA/RNA Synthesis"}

> <classes>
{Anti-infection,Apoptosis,Cell Cycle/DNA Damage,MAPK/ERK Pathway}

> <pubchem_cids>
{462385}

$$$$
TargetMol_L9000_Apoptosis 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_L9000_Apoptosis Compound Library

> <id>
25761

> <plate>
PLATE 003

> <well>
A4

> <supplier_cmpd_name>
SU9516

> <ctcr_id>
7769

> <supplier_cmpd_id>
.

> <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_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 51 52  0  0  1  0            999 V2000
   13.0210   -1.8189    0.0000 C   0  0
   14.1417   -2.8160    0.0000 O   0  0
   13.3248   -0.3492    0.0000 C   0  0  2  0  0  0
   12.2055    0.6507    0.0000 C   0  0
   12.5108    2.1194    0.0000 C   0  0
   10.7809    0.1812    0.0000 C   0  0
   14.7492    0.1236    0.0000 N   0  0
   15.0530    1.5933    0.0000 C   0  0
   13.9323    2.5904    0.0000 O   0  0
   16.4774    2.0660    0.0000 C   0  0  2  0  0  0
   16.7812    3.5358    0.0000 C   0  0
   18.2048    4.0083    0.0000 C   0  0
   15.6605    4.5328    0.0000 C   0  0
   17.5967    1.0661    0.0000 N   0  0
   17.2914   -0.4025    0.0000 C   0  0
   11.5966   -2.2916    0.0000 N   0  0
   10.4759   -1.2946    0.0000 C   0  0
   11.2928   -3.7614    0.0000 C   0  0  2  0  0  0
    9.8684   -4.2341    0.0000 C   0  0  1  0  0  0
    9.5646   -5.7039    0.0000 C   0  0
    8.1402   -6.1766    0.0000 C   0  0
    7.0195   -5.1796    0.0000 O   0  0
    7.8369   -7.6438    0.0000 N   0  0
    6.4855   -8.2648    0.0000 C   0  0  1  0  0  0
    6.6233   -9.7456    0.0000 C   0  0
    8.0906  -10.0575    0.0000 C   0  0
    8.8406   -8.7585    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0  1  0  0  0
    5.1894   -6.0109    0.0000 C   0  0  2  0  0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 O   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5031    0.0000 C   0  0  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
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2948   -3.7516    0.0000 C   0  0
    6.4897   -5.2632    0.0000 C   0  0
    3.8877   -8.2626    0.0000 O   0  0
    3.8873   -9.7626    0.0000 C   0  0
    8.7491   -3.2342    0.0000 O   0  0
    9.0544   -1.7656    0.0000 C   0  0
   12.4121   -4.7613    0.0000 C   0  0  2  0  0  0
   12.1067   -6.2307    0.0000 C   0  0
   13.2253   -7.2301    0.0000 C   0  0
   13.8367   -4.2918    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  3  7  1  6
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 10 14  1  6
 14 15  1  0
  1 16  1  0
 16 17  1  0
 18 16  1  1
 18 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  1
 25 26  1  0
 26 27  1  0
 27 23  1  0
 24 28  1  0
 28 29  1  0
 29 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  2  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 35  1  0
 34 41  1  6
 33 42  1  6
 29 43  1  6
 28 44  1  6
 44 45  1  0
 19 46  1  0
 46 47  1  0
 18 48  1  0
 48 49  1  0
 49 50  1  0
 48 51  1  1
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25762

> <plate>
PLATE 003

> <well>
A5

> <supplier_cmpd_name>
Monomethyl auristatin E

> <ctcr_id>
11976

> <supplier_cmpd_id>
.

> <smiles>
C(=O)([C@H](C(C)C)NC(=O)[C@H](C(C)C)NC)N(C)[C@H]([C@@H](CC(=O)N1[C@@H](CCC1)[C@@H]([C@H](C(=O)N[C@@H]([C@H](c1ccccc1)O)C)C)OC)OC)[C@H](CC)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Monomethyl auristatin E",474645-27-7,474645277,MMAE,"Monomethylauristatin E",UNII-V7I58RC5EJ,UNIIV7I58RC5EJ,V7I58RC5EJ,"Monomethyl auristatin E (MMAE)",MFCD22124498,"MMAE peptide",4Q5,"MMAE, monomet
hyl auristatin E",SCHEMBL5402144,CHEMBL2103835,AMY9235,A,T6897}

> <pdid>
PD018391

> <targets>
{microtubule}

> <classes>
{"Cytoskeletal Signaling"}

> <pubchem_cids>
{11542188}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 21 23  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
   -2.5981    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
  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
 14 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 13  1  0
 20 21  1  0
 21  9  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25763

> <plate>
PLATE 003

> <well>
A6

> <supplier_cmpd_name>
Acacetin

> <ctcr_id>
2484

> <supplier_cmpd_id>
.

> <smiles>
COc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2

> <pd_targets>
{HIF1A,CYP1A1,XDH,MAPT,KMT2A,MEN1,CYP2C9,CDK8,MAOA,MAOB,CYP1B1,RORC,CYP1A2,CYP2C19,TP53,CYP3A4,ALDH1A1,MAPK10,MAPK1,CDK9,IP6K2,EGFR,LMNA,RAB9A,SMN1,CYP2D6,TDP1,NPC1,MAPK14,KCNA5,KCND3,KCNE1,KCNQ1,KCNH
2}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Other cytosolic protein","Epigenetic regulator","Other nuclear protein",Transporter,"Ion channel","Cytochrome P450",Oxidoreductase,Reader,Kinase,"Nuclear receptor",Tran
sferase,Hydrolase,"Voltage-gated ion channel","Cytochrome P450 family 1",Bromodomain,"Cytochrome P450 family 2","Protein Kinase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Meth
yl-lysine/arginine binding protein","Potassium channels","Cytochrome P450 family 1A","Cytochrome P450 family 2C","CMGC protein kinase group","Cytochrome P450 family 1B","Nuclear hormone receptor subfa
mily 1 group F","Cytochrome P450 family 3A","TK protein kinase group","Tudor domain","Cytochrome P450 family 2D","Voltage-gated potassium channel","Cytochrome P450 1A1","Cytochrome P450 2C9","CMGC pro
tein kinase CDK family","Cytochrome P450 1B1","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C19","Cytochrome P450 3A4","CMGC protein kinase MAPK family","Tyrosine protein k
inase EGFR family","Cytochrome P450 2D6","CMGC protein kinase CDK8 subfamily","CMGC protein kinase JNK subfamily","CMGC protein kinase ERK1","CMGC protein kinase CDK9 subfamily","CMGC protein kinase p
38 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Ion channels","Cytochrome P450","1.-.-.- Oxidoreductases","Kinases (EC 2.7.x.x)","Catecholamine turnover","Nuclear hormone receptors","Catalytic receptors","SLC superf
amily of solute carriers","Voltage-gated ion channels","CYP1 family","CYP2 family: drug metabolising subset","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphans","CYP3 f
amily","Receptor kinases","SLC65 NPC-type cholesterol transporters","Potassium channels","Cyclin-dependent kinase (CDK) family","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase",
"Voltage-gated potassium channels","CDK8 subfamily","JNK subfamily","ERK subfamily","CDK9 subfamily","Receptor tyrosine kinases (RTKs)","p38 subfamily","Type I RTKs: ErbB (epidermal growth factor) rec
eptor family"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Metabolism,"Neuronal System",Disease,"Gene expression (Transcription)","Cell Cycle","Immune System","Signal Transduction","Metabolism of RNA","DNA Repair","Tr
ansport of small molecules","Muscle contraction","Cellular responses to stress","Biological oxidations","Metabolism of nucleotides","Transmission across Chemical Synapses","Diseases of signal transduc
tion by growth factor receptors and second messengers","RNA Polymerase II Transcription","Cell Cycle Checkpoints","Metabolism of lipids","Innate Immune System","Infectious disease","Cytokine Signaling
 in Immune system","Signaling by GPCR",Mitotic,"Signaling by Rho GTPases","Metabolism of non-coding RNA","DNA Double-Strand Break Repair","Plasma lipoprotein assembly",remodeling,"and clearance","Pota
ssium Channels","Cardiac conduction","Cellular response to hypoxia","Phase I - Functionalization of compounds","Nucleobase catabolism","Neurotransmitter receptors and postsynaptic signal transmission"
,"Signaling by NOTCH1 in Cancer","Generic Transcription Pathway","G1/S DNA Damage Checkpoints","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Cascades","HIV Infection"
,"Interferon Signaling","GPCR downstream signalling","M Phase","Rho GTPase cycle","snRNP Assembly","Nonhomologous End-Joining (NHEJ)","Plasma lipoprotein clearance","Voltage gated Potassium channels",
"Phase 1 - inactivation of fast Na+ channels","Phase 3 - rapid repolarisation","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Cytochrome P450 - arranged by substrate type"
,"Purine catabolism","Activation of NMDA receptors and postsynaptic events","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Amine Oxidase reactions","Transcriptional regulation by RUNX3","p53-
Dependent G1/S DNA damage checkpoint","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","HIV Life Cycle","Interferon alpha/beta signaling","G alpha (q) signa
lling events","Mitotic Metaphase and Anaphase","RHOBTB GTPase Cycle","LDL clearance",Xenobiotics,"Post NMDA receptor activation events","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Bioge
nic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Endogenous sterols","RUNX3 Regulates Immune Response and Cell Migration","p53-Dependent G1 DNA Damage Response","Biosynthesis of m
aresins","MyD88 cascade initiated on plasma membrane","Late Phase of HIV Life Cycle","Gastrin-CREB signalling pathway via PKC and MAPK","Mitotic Anaphase","RHOBTB3 ATPase cycle","Activation of AMPK do
wnstream of NMDARs","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Stabilization of p53","Biosynthesis of maresin-like SPMs","MAP kinase activation","Transcript
ion of the HIV genome","EGFR Transactivation by Gastrin","Nuclear Envelope (NE) Reassembly","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","HI
V Transcription Elongation","Initiation of Nuclear Envelope (NE) Reformation","Activation of the AP-1 family of transcription factors","ERK/MAPK targets","Tat-mediated elongation of the HIV-1 transcri
pt","ERKs are inactivated","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{acacetin,480-44-4,480444,Linarigenin,"5,7-Dihydroxy-4'-methoxyflavone","5,7Dihydroxy4'methoxyflavone",4'-Methoxyapigenin,4'Methoxyapigenin,Buddleoflavonol,Acacetine,Linarisenin,"5,7-Dihydroxy-2-(4-me
thoxyphenyl)-4H-chromen-4-one","5,7Dihydroxy2(4methoxyphenyl)4Hchromen4one","Apigenin 4'-methyl ether","Apigenin 4'methyl ether",Akatsetin,"5,7-Dioxy-4'-methoxyflavone","5,7Dioxy4'methoxyflavone",Apis
,T3981,200499,Acacetin,ACACETIN}

> <pdid>
PD037100

> <targets>
{}

> <classes>
{antioxidant,"spasmolytic agent",antiinflammatory}

> <pubchem_cids>
{5280442}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 20 21  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
   -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 S   0  0
   -3.8962    2.2570    0.0000 O   0  0
   -5.1937    3.0092    0.0000 O   0  0
   -3.8912    5.2578    0.0000 C   0  0
   -2.6765    6.1158    0.0000 S   0  0
   -3.1380    7.5431    0.0000 C   0  0
   -2.2546    8.7553    0.0000 Br  0  0
   -4.6380    7.5452    0.0000 C   0  0
   -5.1035    6.1193    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  1  0
 12 13  2  0
 12 14  2  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 15  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25764

> <plate>
PLATE 003

> <well>
A7

> <supplier_cmpd_name>
Tasisulam

> <ctcr_id>
1211

> <supplier_cmpd_id>
.

> <smiles>
Clc1ccc(c(Cl)c1)C(=O)N[S](=O)(=O)c2sc(Br)cc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"apoptosis stimulant"}

> <synonyms>
{Tasisulam,519055-62-0,519055620,LY573636,"N-(2,4-Dichlorobenzoyl)-5-bromothiophene-2-sulfonamide","N(2,4Dichlorobenzoyl)5bromothiophene2sulfonamide","LY 573636",UNII-1YC4W9MSLJ,UNII1YC4W9MSLJ,LY-5736
36,"Tasisulam (sodium)",1YC4W9MSLJ,"LY 573636 (sodium)","N-(5-bromothiophen-2-ylsulfonyl)-2,4-dichlorobenzamide","N(5bromothiophen2ylsulfonyl)2,4dichlorobenzamide",N-(5-bromoth,N(5bromoth,T6191,S7326}

> <pdid>
PD010350

> <targets>
{Caspase,Apoptosis}

> <classes>
{Apoptosis}

> <pubchem_cids>
{10160238}

$$$$
TargetMol_L9000_Apoptosis 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_L9000_Apoptosis Compound Library

> <id>
25766

> <plate>
PLATE 003

> <well>
A9

> <supplier_cmpd_name>
Nutlin-3b

> <ctcr_id>
4618

> <supplier_cmpd_id>
.

> <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_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 20 22  0  0  0  0            999 V2000
    1.1583   -9.7884    0.0000 C   0  0
    0.6960   -8.3614    0.0000 C   0  0
   -0.7710   -8.0483    0.0000 C   0  0
   -1.2333   -6.6213    0.0000 C   0  0
   -0.2287   -5.5075    0.0000 C   0  0
    1.2383   -5.8206    0.0000 C   0  0
    1.7006   -7.2475    0.0000 C   0  0
   -0.6913   -4.0797    0.0000 S   0  0
   -2.1584   -3.7671    0.0000 O   0  0
   -1.6957   -5.1937    0.0000 O   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 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  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
 12 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 11  1  0
 20 15  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25767

> <plate>
PLATE 003

> <well>
A10

> <supplier_cmpd_name>
ML130

> <ctcr_id>
6932

> <supplier_cmpd_id>
.

> <smiles>
Cc1ccc(cc1)[S](=O)(=O)n2c(N)nc3ccccc23

> <pd_targets>
{NOD1,GPR35,GAA,RORC,NOD2,CXCL8,TNF}

> <pathway_gtopdb>
{"Unclassified protein","Membrane receptor",Enzyme,"Transcription factor","Secreted protein","Family A G protein-coupled receptor",Hydrolase,"Nuclear receptor","Small molecule receptor (family A GPCR)
","Nuclear hormone receptor subfamily 1","Carboxylic acid receptor","Nuclear hormone receptor subfamily 1 group F","Kynurenic acid receptor","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","G protein-coupled receptors","3.2.1.- Glycosidases","Nuclear hormone receptors","Pattern recognition receptors","Orphan and other 7TM receptors","1F. Retinoic
 acid-related orphans","NOD-like receptor family","Class A Orphans"}

> <pathway_reactome>
{"Immune System","Signal Transduction",Disease,"Gene expression (Transcription)","Innate Immune System","Signaling by GPCR","Diseases of metabolism","RNA Polymerase II Transcription","Cytokine Signali
ng in Immune system","Toll-like Receptor Cascades","GPCR ligand binding","Diseases of carbohydrate metabolism","Generic Transcription Pathway","Signaling by Interleukins","Toll Like Receptor 5 (TLR5) 
Cascade","Class A/1 (Rhodopsin-like receptors)","Glycogen storage diseases","Transcriptional regulation by RUNX3","Interleukin-10 signaling","MyD88 cascade initiated on plasma membrane","Glycogen stor
age disease type II (GAA)","RUNX3 Regulates Immune Response and Cell Migration","Peptide ligand-binding receptors","MAP kinase activation","Chemokine receptors bind chemokines","activated TAK1 mediate
s p38 MAPK activation"}

> <broad_targets>
{}

> <broad_moa>
{"NOD1 inhibitor"}

> <synonyms>
{"L130 (NODINITIB1",Nodinitib-1,Nodinitib1,ML130,799264-47-4,799264474,Noditinib-1,Noditinib1,"ML130 (Nodinitib-1)","ML130 (Nodinitib1)",1-(4-methylphenyl)sulfonylbenzimidazol-2-amine,1(4methylphenyl)
sulfonylbenzimidazol2amine,ML-130,1-Tosyl-1H-benzo(d)imidazol-2-amine,1Tosyl1Hbenzo(d)imidazol2amine,ML130;CID-1088438,ML130;CID1088438,MLS001201458,1-(Toluene-4-sulfonyl)-1H-benzoimidazol-2-ylamin,1(
Toluene4sulfonyl)1Hbenzoimidazol2ylamin,T6591,S2863}

> <pdid>
PD010248

> <targets>
{NOD1}

> <classes>
{NF-?B}

> <pubchem_cids>
{1088438}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 19 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8525    1.3572    0.0000 O   0  0
   -8.8524    0.2390    0.0000 C   0  0
   -8.0978   -1.0574    0.0000 C   0  0
   -6.6317   -0.7404    0.0000 C   0  0
  -10.3432    0.3874    0.0000 N   0  3
  -10.9605    1.7545    0.0000 O   0  5
  -11.2189   -0.8305    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  2  1  0
  5  8  1  0
  8  9  2  0
  8 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 12  2  0
 14 17  1  0
 17 18  1  0
 17 19  2  0
M  CHG  2  17   1  18  -1
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25768

> <plate>
PLATE 003

> <well>
A11

> <supplier_cmpd_name>
NSC59984

> <ctcr_id>
3831

> <supplier_cmpd_id>
.

> <smiles>
CN1CCN(CC1)C(=O)\C=C\c2oc(cc2)[N+]([O-])=O

> <pd_targets>
{RORC,MAPT,KDM4E,TGR}

> <pathway_gtopdb>
{"Transcription factor","Other cytosolic protein","Epigenetic regulator",Enzyme,"Nuclear receptor",Eraser,"Nuclear hormone receptor subfamily 1","Lysine demethylase","Nuclear hormone receptor subfamil
y 1 group F","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Chromatin modifying enzymes","1F. Retinoic acid-related orphans","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Gene expression (Transcription)","Neuronal System","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Generic Transcription Pathway","Neurotransmitter receptors and postsynap
tic signal transmission","Transcriptional regulation by RUNX3","Activation of NMDA receptors and postsynaptic events","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA receptor activatio
n events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NSC59984,803647-40-7,803647407,"NSC 59984",(E)-1-(4-methylpiperazin-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one,(E)1(4methylpiperazin1yl)3(5nitrofuran2yl)prop2en1one,NSC-59984,MLS000737358,SMR00052827
6,1-(4-methylpiperazin-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one,1(4methylpiperazin1yl)3(5nitrofuran2yl)prop2en1one,CHEMBL1979662,SCHEMBL17071991,SCHEMBL17654,T6910}

> <pdid>
PD071462

> <targets>
{MDM-2/p53}

> <classes>
{Apoptosis}

> <pubchem_cids>
{5356520}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 25 27  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 N   0  0
    0.0049   -5.9994    0.0000 C   0  0
    0.0102   -7.4994    0.0000 C   0  0
    1.3118   -8.2449    0.0000 C   0  0
    2.6082   -7.4904    0.0000 C   0  0
    2.6030   -5.9904    0.0000 C   0  0
    1.3014   -5.2449    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 F   0  0
   -3.8971   -0.7500    0.0000 N   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3032    3.7490    0.0000 O   0  0
   -1.2947    3.7531    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  1  1  0
 11  6  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
  8 19  1  0
  7 20  1  0
  3 21  1  0
 21 22  2  0
 21 23  1  0
  1 24  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25769

> <plate>
PLATE 003

> <well>
B2

> <supplier_cmpd_name>
AS1842856

> <ctcr_id>
11504

> <supplier_cmpd_id>
.

> <smiles>
n1(cc(c(=O)c2c(c(c(cc12)NC1CCCCC1)F)N)C(=O)O)CC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AS1842856,836620-48-5,836620485,"AS 1842856",AS-1842856,"FOXO1 inhibitor",SCHEMBL17387387,CHEBI:145800,BCP17382,EX-A2538,EXA2538,s8222,ZINC68248381,AKOS032945046,CCG-267998,CCG267998,CS-6192,CS6192,A
K685663,BS-17713,BS17713,HY-100596,HY100596,"AS-1842856;AS 1842856","AS1842856;AS 1842856",T6762}

> <pdid>
PD071517

> <targets>
{"Forkhead box protein O1 (FOXO1)"}

> <classes>
{Apoptosis}

> <pubchem_cids>
{72193864}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 33 37  0  0  0  0            999 V2000
    3.9200   -5.8774    0.0000 C   0  0
    4.8054   -4.6666    0.0000 O   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 N   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    5.5263    4.9023    0.0000 N   0  0
    6.9849    5.2556    0.0000 C   0  0
    8.0193    4.1692    0.0000 O   0  0
    7.4092    6.6952    0.0000 C   0  0
    8.8679    7.0484    0.0000 S   0  0
    9.2922    8.4880    0.0000 C   0  0
   10.7496    8.8432    0.0000 C   0  0
   11.1707   10.2829    0.0000 C   0  0
   10.1345   11.3675    0.0000 C   0  0
    8.6772   11.0124    0.0000 C   0  0
    8.2560    9.5727    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.7171    0.9385    0.0000 C   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  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
  9 21  1  0
 21 22  2  0
 22  6  1  0
  5 23  1  0
 23 24  2  0
 24  3  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 28  1  0
 32 33  2  0
 33 25  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25770

> <plate>
PLATE 003

> <well>
B3

> <supplier_cmpd_name>
SecinH3

> <ctcr_id>
7644

> <supplier_cmpd_id>
.

> <smiles>
COc1nn(c2ccc(NC(=O)CSc3ccccc3)cc2)c(n1)c4ccc5OCOc5c4

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SecinH3,853625-60-2,853625602,"Secin H3","Cytohesins Inhibitor SecinH3","Secin-H3; Secin H3","SecinH3; Secin H3",MLS001065919,SCHEMBL7899934,CHEMBL1731533,CHEBI:92787,DTXSID80359866,HMS2211A12,HMS335
5D10,ZINC696906,BCP29753,EX-A2438,EXA2438,s7685,AKOS024457312,CCG-265025,CCG265025,CS-8203,CS8203,NCGC0,T6664,nan}

> <pdid>
PD015719

> <targets>
{"GDP/GTP Exchange Factor Inhibitor"}

> <classes>
{}

> <pubchem_cids>
{1029232}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 35 38  0  0  0  0            999 V2000
    5.1884   -7.5113    0.0000 C   0  0
    5.1901   -6.0113    0.0000 N   0  0
    3.8917   -5.2586    0.0000 C   0  0
    2.5915   -6.0067    0.0000 C   0  0
    3.8934   -3.7577    0.0000 C   0  0
    4.7601   -3.2590    0.0000 O   0  0
    2.5949   -3.0050    0.0000 N   0  0
    2.5966   -1.5042    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8990   -0.7582    0.0000 C   0  0
    3.9037    0.7418    0.0000 O   0  0
    5.1966   -1.5123    0.0000 N   0  0
    5.3273   -2.9939    0.0000 C   0  0
    6.7930   -3.3129    0.0000 C   0  0
    7.5493   -2.0175    0.0000 C   0  0
    6.5510   -0.8979    0.0000 C   0  0
    6.8614    0.5678    0.0000 C   0  0
    5.7456    1.5703    0.0000 O   0  0
    8.2882    1.0336    0.0000 N   0  0
    8.5991    2.5018    0.0000 C   0  0
    7.5877    3.5923    0.0000 S   0  0
    8.3341    4.8935    0.0000 N   0  0
    9.8021    4.5857    0.0000 N   0  0
    9.9631    3.0944    0.0000 C   0  0
   11.2605    2.3400    0.0000 C   0  0
   11.3736    0.8495    0.0000 C   0  0
   12.7261    0.2008    0.0000 C   0  0
   13.9641    1.0478    0.0000 C   0  0
   13.8497    2.5434    0.0000 C   0  0
   12.4972    3.1921    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  9  1  0
  8 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 17  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 25  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25771

> <plate>
PLATE 003

> <well>
B4

> <supplier_cmpd_name>
GDC-0152

> <ctcr_id>
5563

> <supplier_cmpd_id>
.

> <smiles>
CNC(C)C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)Nc3snnc3c4ccccc4

> <pd_targets>
{XIAP,BIRC3,BIRC2,BIRC7,MLX}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Unclassified protein"}

> <pathway_chembl>
{"Other protein targets","Inhibitors of apoptosis (IAP) protein family"}

> <pathway_reactome>
{"Programmed Cell Death","Immune System",Metabolism,Apoptosis,"Innate Immune System","Integration of energy metabolism","Intrinsic Pathway for Apoptosis","Toll-like Receptor Cascades","ChREBP activate
s metabolic gene expression","Apoptotic factor-mediated response","Toll Like Receptor 4 (TLR4) Cascade","Cytochrome c-mediated apoptotic response","MyD88-independent TLR4 cascade","Formation of apopto
some","TRIF(TICAM1)-mediated TLR4 signaling","Regulation of the apoptosome activity","IKK complex recruitment mediated by RIP1"}

> <broad_targets>
{BIRC2,BIRC3,BIRC7,XIAP}

> <broad_moa>
{"XIAP inhibitor"}

> <synonyms>
{DC015,SCHEMBL544427,HMS3652N14,NCGC00389226-01,NCGC0038922601,AS-56016,AS56016,S7010,GDC-0152}

> <pdid>
PD010653

> <targets>
{IAP}

> <classes>
{Apoptosis}

> <pubchem_cids>
{66720910}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 41 44  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -3.9021   -3.7405    0.0000 C   0  0
   -5.1977   -2.9829    0.0000 C   0  0
   -6.5006   -3.7261    0.0000 O   0  0
   -5.1903   -1.4821    0.0000 N   0  0
   -6.4859   -0.7245    0.0000 C   0  0
   -6.4808    0.7755    0.0000 C   0  0
   -7.7773    1.5300    0.0000 C   0  0
   -9.0789    0.7845    0.0000 C   0  0
   -9.0841   -0.7155    0.0000 C   0  0
   -7.7877   -1.4700    0.0000 C   0  0
  -10.3760    1.5394    0.0000 S   0  0
  -11.6774    0.7935    0.0000 O   0  0
  -10.3810    0.0395    0.0000 O   0  0
  -10.3718    3.0403    0.0000 C   0  0
   -9.0706    3.7866    0.0000 C   0  0
   -9.0663    5.2866    0.0000 C   0  0
  -10.3632    6.0403    0.0000 C   0  0
  -11.6644    5.2939    0.0000 C   0  0
  -11.6687    3.7939    0.0000 C   0  0
  -12.9705    3.0472    0.0000 C   0  0
  -14.2679    3.8001    0.0000 C   0  0
  -12.9743    1.5472    0.0000 C   0  0
  -14.2713    2.3003    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -5.2088   -5.9860    0.0000 O   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -2.6160   -7.4949    0.0000 O   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -0.0127   -6.0039    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  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  2  0
 22 17  1  0
 20 23  1  0
 23 24  2  0
 23 25  2  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
 31 32  1  0
 32 33  1  0
 32 34  1  0
 32 35  1  0
 13 36  2  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 38 40  2  0
 40 11  1  0
 40 41  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25772

> <plate>
PLATE 003

> <well>
B5

> <supplier_cmpd_name>
TW-37

> <ctcr_id>
1673

> <supplier_cmpd_id>
.

> <smiles>
CC(C)c1ccccc1Cc2cc(C(=O)Nc3ccc(cc3)[S](=O)(=O)c4ccccc4C(C)(C)C)c(O)c(O)c2O

> <pd_targets>
{BCL2,BCL2L1,MCL1}

> <pathway_gtopdb>
{"Ion channel","Other cytosolic protein","Other ion channel","Miscellaneous ion channel","Bcl-2 family"}

> <pathway_chembl>
{"Other protein targets","B-cell lymphoma 2 (Bcl-2) protein family"}

> <pathway_reactome>
{"Immune System",Disease,"Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Immune system","Nucleotide-binding domain","le
ucine rich repeat containing receptor (NLR) signaling pathways","FLT3 signaling in disease","Signaling by Interleukins",Inflammasomes,"Signaling by FLT3 ITD and TKD mutants","Interleukin-4 and Interle
ukin-13 signaling","The NLRP1 inflammasome","STAT5 activation downstream of FLT3 ITD mutants"}

> <broad_targets>
{BCL2,BCL2L1,MCL1}

> <broad_moa>
{"BCL inhibitor"}

> <synonyms>
{CHEMBL217354,MFCD17010275,TW-37,TW37,877877-35-5,877877355,"tw 37",UNII-FQ8NY4LUO5,UNIIFQ8NY4LUO5,FQ8NY4LUO5,cc-342,cc342,MLS006010425,SCHEMBL687266,CHEBI:95008,DTXSID10466395,BCPP000030,HMS3651I03,"
TW 37;TW37",TW-37/TW37,TW37/TW37,AMY20584,BCP27702,EX-A2173,EXA2173,ABP000129,BDBM50196032,s1121,ZINC294,T6281,S1121}

> <pdid>
PD003476

> <targets>
{Bcl-2,Bcl-2 Family}

> <classes>
{Apoptosis}

> <pubchem_cids>
{11455910}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 75 83  0  0  1  0            999 V2000
   16.8928   -9.7451    0.0000 C   0  0
   15.5948   -8.9932    0.0000 C   0  0  1  0  0  0
   14.2947   -9.7413    0.0000 C   0  0  1  0  0  0
   12.9968   -8.9894    0.0000 C   0  0  2  0  0  0
   12.9989   -7.4894    0.0000 C   0  0  2  0  0  0
   14.2991   -6.7412    0.0000 C   0  0  1  0  0  0
   15.5970   -7.4932    0.0000 O   0  0
   14.2982   -5.2404    0.0000 O   0  0
   15.5971   -4.4884    0.0000 C   0  0  2  0  0  0
   15.5983   -2.9884    0.0000 C   0  0  2  0  0  0
   16.8980   -2.2395    0.0000 O   0  0
   18.1965   -2.9906    0.0000 C   0  0  2  0  0  0
   18.1951   -4.4906    0.0000 C   0  0  1  0  0  0
   16.8955   -5.2395    0.0000 C   0  0  1  0  0  0
   16.8946   -6.2395    0.0000 O   0  0
   19.4935   -5.2417    0.0000 O   0  0
   19.4953   -2.2386    0.0000 O   0  0
   19.4945   -0.7378    0.0000 C   0  0
   20.7934    0.0142    0.0000 C   0  0  2  0  0  0
   20.7947    1.5142    0.0000 C   0  0  2  0  0  0
   22.0944    2.2630    0.0000 C   0  0  1  0  0  0
   23.3928    1.5119    0.0000 C   0  0  2  0  0  0
   23.3915    0.0118    0.0000 C   0  0  1  0  0  0
   22.0918   -0.7370    0.0000 O   0  0
   24.6921   -0.7371    0.0000 O   0  0
   25.9915    0.0140    0.0000 C   0  0
   25.9902    1.5140    0.0000 O   0  0
   27.2921   -0.7349    0.0000 C   0  0  1  0  0  0
   27.2904    0.7651    0.0000 C   0  0
   28.5886    1.5167    0.0000 C   0  0
   29.8885    0.7682    0.0000 C   0  0  2  0  0  0
   29.8902   -0.7318    0.0000 C   0  0
   31.1901   -1.4803    0.0000 C   0  0
   32.4883   -0.7288    0.0000 C   0  0
   32.4865    0.7712    0.0000 C   0  0  1  0  0  0
   31.1866    1.5197    0.0000 C   0  0  1  0  0  0
   31.1849    3.0197    0.0000 C   0  0
   32.4831    3.7712    0.0000 C   0  0
   33.7830    3.0227    0.0000 C   0  0  2  0  0  0
   33.7847    1.5227    0.0000 C   0  0  2  0  0  0
   35.0846    0.7742    0.0000 C   0  0
   36.3828    1.5257    0.0000 C   0  0
   36.3810    3.0257    0.0000 C   0  0  1  0  0  0
   35.0811    3.7742    0.0000 C   0  0  2  0  0  0
   36.3973    4.4937    0.0000 C   0  0
   33.7804    4.4811    0.0000 C   0  0
   33.7296    5.4798    0.0000 O   0  0
   37.6815    3.7750    0.0000 O   0  0
   38.9810    3.0242    0.0000 C   0  0  1  0  0  0
   40.2819    3.7712    0.0000 C   0  0  1  0  0  0
   41.5792    3.0182    0.0000 C   0  0  2  0  0  0
   41.5757    1.5182    0.0000 C   0  0  2  0  0  0
   40.2750    0.7712    0.0000 C   0  0
   38.9777    1.5241    0.0000 O   0  0
   42.8730    0.7652    0.0000 O   0  0
   42.8799    3.7652    0.0000 O   0  0
   40.2854    5.2711    0.0000 O   0  0
   33.7864    0.0227    0.0000 C   0  0
   30.3200    2.0187    0.0000 C   0  0
   28.5920   -1.4833    0.0000 C   0  0  2  0  0  0
   28.5938   -2.9833    0.0000 C   0  0
   27.2956   -3.7349    0.0000 C   0  0
   25.9957   -2.9864    0.0000 C   0  0
   25.9940   -1.4864    0.0000 C   0  0
   28.6128   -4.4525    0.0000 C   0  0
   25.9802   -4.4557    0.0000 C   0  0
   29.8873    1.7682    0.0000 C   0  0
   24.6924    2.2608    0.0000 O   0  0
   22.0957    3.7630    0.0000 O   0  0
   19.4963    2.2653    0.0000 O   0  0
   14.2976   -2.2396    0.0000 C   0  0
   12.9990   -2.9903    0.0000 O   0  0
   12.1336   -6.9882    0.0000 O   0  0
   11.6966   -9.7375    0.0000 O   0  0
   14.2925  -11.2413    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  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
 14 15  1  1
 13 16  1  6
 12 17  1  1
 17 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  1  0
 26 27  2  0
 28 26  1  1
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  3
 33 34  1  0
 35 34  1  1
 35 36  1  0
 36 31  1  0
 36 37  1  0
 37 38  1  0
 39 38  1  1
 39 40  1  0
 40 35  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 39  1  0
 44 45  1  1
 44 46  1  0
 46 47  1  0
 43 48  1  1
 49 48  1  1
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 49  1  0
 52 55  1  1
 51 56  1  1
 50 57  1  6
 40 58  1  1
 36 59  1  1
 32 60  1  0
 60 28  1  0
 60 61  1  6
 61 62  1  0
 62 63  1  0
 63 64  1  0
 64 28  1  0
 62 65  1  0
 62 66  1  0
 31 67  1  6
 22 68  1  1
 21 69  1  6
 20 70  1  1
 10 71  1  1
 71 72  1  0
  5 73  1  1
  4 74  1  1
  3 75  1  6
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25773

> <plate>
PLATE 003

> <well>
B6

> <supplier_cmpd_name>
Hederacoside D

> <ctcr_id>
11977

> <supplier_cmpd_id>
.

> <smiles>
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)[C@@]12CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]3[C@@]4(CC[C@@H]([C@@]3(C)CO)O[C@H]3[C@@H
]([C@H]([C@H](CO3)O)O)O)C)C)[C@@H]1CC(CC2)(C)C)C)O)O)O)CO)O)O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Hederacoside D","Cauloside D",760961-03-3,760961033,"Kizuta Saponin K10",CHEMBL538919,CHEBI:69375,12672-45-6,12672456,BDBM50322750,MFCD22572710,s9011,AKOS037514688,ACN-035199,ACN035199,CCG-270630,CC
G270630,Y0102,Q27137714,T3790}

> <pdid>
PD065068

> <targets>
{TNF-¦Á}

> <classes>
{Apoptosis}

> <pubchem_cids>
{21630094}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 30 33  0  0  0  0            999 V2000
   14.7199   -4.3382    0.0000 Cl  0  0
   13.9320   -3.0617    0.0000 C   0  0
   14.6435   -1.7412    0.0000 C   0  0
   13.8556   -0.4648    0.0000 C   0  0
   12.3562   -0.5089    0.0000 C   0  0
   11.5680    0.7673    0.0000 Cl  0  0
   11.6479   -1.8255    0.0000 C   0  0
   12.4326   -3.1059    0.0000 C   0  0
   10.1554   -1.9824    0.0000 C   0  0
    9.1517   -0.8676    0.0000 O   0  0
    7.8003   -1.4887    0.0000 C   0  0
    7.9382   -2.9695    0.0000 C   0  0
    9.4054   -3.2814    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   -2.9940    0.0000 C   0  0
    5.2056   -4.4940    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
   -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  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
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  9  2  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  3  0
 15 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 21  1  0
 30 25  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25774

> <plate>
PLATE 003

> <well>
B7

> <supplier_cmpd_name>
AGK2

> <ctcr_id>
8345

> <supplier_cmpd_id>
.

> <smiles>
Clc1ccc(Cl)c(c1)c2oc(cc2)\C=C(C#N)\C(=O)Nc3cccc4ncccc34

> <pd_targets>
{SIRT1,SIRT2,SIRT3,MTOR}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Kinase,"Histone deacetylase","Protein Kinase","HDAC class III","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)","3.5.1.- Histone deacetylases (HDACs)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","RNA Polymerase II Transcription",Mitotic,"Generic Transcription Pathway","M Phase","FOXO-mediated transcription","Mitotic Metaphase and Anaphase","Tran
scriptional Regulation by TP53","Regulation of FOXO transcriptional activity by acetylation","Mitotic Anaphase","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Regula
tion of TP53 Activity","Nuclear Envelope (NE) Reassembly","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AGK2,AGK-2,304896-28-4,304896284,"AGK 2",UNII-DDF0L8606A,UNIIDDF0L8606A,"2-Cyano-3-(5-(2,5-dichlorophenyl)-2-furanyl)-N-5-quinolinyl-2-propenamide","2Cyano3(5(2,5dichlorophenyl)2furanyl)N5quinolinyl2
propenamide",CHEMBL224864,DDF0L8606A,MFCD01909444,"2-Propenamide, 2-cyano-3-(5-(2,5-dichlorophenyl)-2-furanyl)-N-5-quinolinyl-","2Propenamide, 2cyano3(5(2,5dichlorophenyl)2furanyl)N5quinolinyl","Sirtu
in 2 I",T6371,3233}

> <pdid>
PD003459

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2130404}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 34 38  0  0  0  0            999 V2000
    2.5569  -12.0048    0.0000 C   0  0
    2.5644  -10.5048    0.0000 N   0  0
    3.8672   -9.7614    0.0000 C   0  0
    3.8748   -8.2614    0.0000 C   0  0
    2.5795   -7.5047    0.0000 N   0  0
    1.2767   -8.2483    0.0000 C   0  0
    1.2692   -9.7483    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
   -2.4133    1.7530    0.0000 C   0  0
   -3.8805    1.4410    0.0000 C   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -0.3115    2.9665    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
   -5.1969   -1.5046    0.0000 C   0  0
   -6.4994   -0.7589    0.0000 C   0  0
   -7.7969   -1.5132    0.0000 C   0  0
   -9.0936   -2.2671    0.0000 N   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
   -0.0133   -5.9950    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  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
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 15  1  0
 16 21  1  0
 21 22  2  0
 22 13  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  3  0
 25 29  2  0
 29 30  1  0
 30 31  2  0
 31 23  1  0
 11 32  1  0
 32 33  2  0
 33  8  1  0
 33 34  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25775

> <plate>
PLATE 003

> <well>
B8

> <supplier_cmpd_name>
SGI-7079

> <ctcr_id>
11978

> <supplier_cmpd_id>
.

> <smiles>
CN1CCN(CC1)c1ccc(Nc2nc3c(c(C)c[nH]3)c(n2)c2cc(CC#N)ccc2)cc1F

> <pd_targets>
{AXL}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by VEGF","VEGFA-VEGFR2 Pathway"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{GI707,SGI-7079,SGI7079,1239875-86-5,1239875865,CHEMBL3809908,SCHEMBL3032802,BCP21014,EX-A1513,EXA1513,"SGI 7079; SGI707",BDBM50172076,s7847,ZINC143157631,ACN-052936,ACN052936,CCG-269290,CCG269290,CS-
5607,CS5607,AC-31429,AC31429,HY-12964,HY12964,LS-15137,LS15137,DS-002524,DS002524,T6982}

> <pdid>
PD071555

> <targets>
{VEGFR,Met,RET,FLT3,Yes,AXL,Mer,"TAM Receptor"}

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

> <pubchem_cids>
{46870258}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 26 29  0  0  0  0            999 V2000
    3.8988   -3.7512    0.0000 C   0  0
    2.5997   -3.0012    0.0000 C   0  0
    1.3009   -3.7516    0.0000 C   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8982   -2.2498    0.0000 O   0  0
    3.8976   -0.7500    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -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
   -2.6012   -3.0008    0.0000 N   0  0
   -3.9020   -3.7494    0.0000 C   0  0
   -3.9072   -5.2494    0.0000 C   0  0
   -5.2089   -5.9949    0.0000 C   0  0
   -5.5254   -7.4603    0.0000 N   0  0
   -7.0177   -7.6120    0.0000 C   0  0
   -7.6231   -6.2396    0.0000 S   0  0
   -6.5053   -5.2405    0.0000 C   0  0
   -6.5001   -3.7405    0.0000 C   0  0
   -5.1985   -2.9950    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  2  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 10  1  0
 13 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
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25776

> <plate>
PLATE 003

> <well>
B9

> <supplier_cmpd_name>
GSK872

> <ctcr_id>
11979

> <supplier_cmpd_id>
.

> <smiles>
CC(C)S(=O)(=O)c1ccc2c(c1)c(ccn2)Nc1cc2ncsc2cc1

> <pd_targets>
{RIPK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TKL: Tyrosine kinase-like","Receptor interacting protein kinase (RIPK) family"}

> <pathway_reactome>
{"Immune System","Innate Immune System","Toll-like Receptor Cascades","Toll Like Receptor 4 (TLR4) Cascade","MyD88-independent TLR4 cascade","TRIF(TICAM1)-mediated TLR4 signaling","IKK complex recruit
ment mediated by RIP1"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{GSK872,1346546-69-7,1346546697,GSK'872,GSK-872,"N-(6-propan-2-ylsulfonylquinolin-4-yl)-1,3-benzothiazol-5-amine","N(6propan2ylsulfonylquinolin4yl)1,3benzothiazol5amine",N-5-benzothiazolyl-6-((1-methy
lethyl)sulfonyl)-4-Quinolinamine,N5benzothiazolyl6((1methylethyl)sulfonyl)4Quinolinamine,N-(6-(isopropylsulfonyl)quinolin-4-yl)benzo(d)thiazol-5-amine,N(6(isopropylsulfonyl)quinolin4yl)benzo(d)thiazol
5amine,GSK2399872A,T4074}

> <pdid>
PD063693

> <targets>
{"Serine/threonin kinase",RIP3K}

> <classes>
{Apoptosis}

> <pubchem_cids>
{54674134}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 38 41  0  0  0  0            999 V2000
    2.5951   -3.0031    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 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -5.2112    5.9836    0.0000 N   0  0
   -6.5072    5.2269    0.0000 C   0  0
   -6.4994    3.7269    0.0000 O   0  0
   -7.8111    5.9701    0.0000 N   0  0
   -9.1072    5.2134    0.0000 C   0  0
  -10.4114    5.9543    0.0000 C   0  0
  -11.7053    5.1953    0.0000 C   0  0
  -11.6949    3.6953    0.0000 C   0  0
  -12.9910    2.9386    0.0000 C   0  0
  -14.2948    3.6819    0.0000 N   0  0
  -15.5913    2.9274    0.0000 C   0  0
  -16.8930    3.6729    0.0000 C   0  0
  -16.8982    5.1729    0.0000 N   0  0
  -18.1990    5.9215    0.0000 C   0  0
  -18.2020    7.4215    0.0000 C   0  0
  -15.6017    5.9274    0.0000 C   0  0
  -14.3001    5.1819    0.0000 C   0  0
  -10.3907    2.9543    0.0000 C   0  0
  -10.3803    1.4536    0.0000 C   0  0
  -11.6736    0.6938    0.0000 F   0  0
   -9.0759    0.7130    0.0000 F   0  0
  -10.3692   -0.0464    0.0000 F   0  0
   -9.0969    3.7133    0.0000 C   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 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  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  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  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
 27 20  1  0
 18 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
 28 33  2  0
 33 15  1  0
 10 34  1  0
 34 35  2  0
 35  7  1  0
  5 36  2  0
 36 37  1  0
 37 38  2  0
 38  3  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25777

> <plate>
PLATE 003

> <well>
B10

> <supplier_cmpd_name>
AST 487

> <ctcr_id>
11980

> <supplier_cmpd_id>
.

> <smiles>
CNc1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(CC)CC4)c(C(F)(F)F)c3)cc2)ncn1

> <pd_targets>
{RPS6KA6,STK25,CLK3,BMX,CSK,CSNK1G3,TNIK,TYK2,MAPK9,LIMK1,MAP2K3,MELK,RPS6KA2,MKNK1,ABL1,STK36,PRKCQ,MAPK15,PRKD2,RET,FES,HTR2A,PRKX,CDK4,NEK4,DAPK3,EPHA8,EPHB1,HCK,MAP4K4,LATS1,NEK5,CDK16,PTK2B,RIPK2
,ROS1,SIK1,SRMS,SYK,KIT,MAP2K5,FLT3,AXL,MAP4K5,MKNK2,CDK11A,MYLK2,CLK2,NEK9,PDGFRA,RPS6KA5,SLK,NTRK2,TEK,BRAF,EGFR,JAK1,FGR,LCK,DYRK2,MAP3K6,TAOK3,LATS2,STK38L,CSNK1G1,HIPK2,CDK14,MAP3K20,P2RY14,CSNK1
G2,NTRK3,GSK3A,TYRO3,MAPK14,MAPK11,MAPK12,SRC,TGFBR2,CDK18,CLK1,EPHA3,EPHA4,EIF2AK2,FGFR1,IRAK1,EPHA2,EPHA5,STK4,MAP3K2,GAK,FGFR2,MAPK8,MYO3B,PRKACB,PRKD3,TESK1,STK35,INSR,PRKAA1,DDR2,STK10,ROCK2,MAP3
K1,RIOK2,RIPK4,MAP2K7,LRRK2,ALK,CDK19,MAP4K1,STK3,EPHA6,MAPK10,STK33,FYN,LTK,MAP3K7,CSF1R,FLT1,FLT4,FRK,MAP4K3,RIPK1,FGFR3,ACVR2B,ERN1,PRKACA,CAMK4,CAMKK1,CAMK1,CDK2,CDK3,CSNK1D,MAP3K13,PAK3,ULK2,BLK,
CAMK1D,CAMKK2,CDK8,CIT,CLK4,MYO3A,CDKL2,CDK5,CDK7,NTRK1,KDR,FGFR4,RAF1,ANKK1,ULK1,CDKL5,JAK2,INSRR,CILK1,CSNK1E,NLK,EPHA1,TIE1,MINK1,MAPK13,CDK17,TTK,EPHA7,TNK1,YES1,CDK15,JAK3,TNNI3K,LYN,AURKC,DDR1,M
ERTK,MET,MUSK,MST1R,MATK,CDKL1,ROCK1,MAP3K12,MAP2K4,CDK11B,NEK6,CDK9,STK24,PLK3,MAP4K2,SGK3,TAOK1,PRKD1,EPHB2,FER,RPS6KA4,ITK,HIPK4,STK39,PDGFRB,ABL2,TAOK2,CDK13,HIPK3,MAK,CHEK2,CHUK,IKBKB,MAP3K19,MAP
3K11,DSTYK,HIPK1,ULK3,CDPK1,LIMK2,AURKB,NEK1,RPS6KB1,CDKL3,AURKA,BCR}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Kinase,"Family A G protein-coupled receptor",Transferase,"Protein Kinase","Small molecule receptor (family A GPCR)","AGC protein kinase group","STE protein kinase group","C
MGC protein kinase group","TK protein kinase group","CK1 protein kinase group","TKL protein kinase group","CAMK protein kinase group","Other protein kinase group","Monoamine receptor","Nucleotide-like
 receptor (family A GPCR)","Atypical protein kinase group","AGC protein kinase RSK family","STE protein kinase STE20 family","CMGC protein kinase CLK family","Tyrosine protein kinase Tec family","Tyro
sine protein kinase Csk family","CK1 protein kinase CK1 family","Tyrosine protein kinase JakA family","CMGC protein kinase MAPK family","TKL protein kinase LISK family","STE protein kinase STE7 family
","CAMK protein kinase CAMK1 family","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase Abl family","Other protein kinase ULK family","AGC protein kinase PKC family","CAMK protein kinase PK
D family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Fer family","Serotonin receptor","AGC protein kinase PKA family","Other protein kinase NEK family","CAMK protein kinase DAPK fam
ily","Tyrosine protein kinase Eph family","Tyrosine protein kinase Src family","AGC protein kinase NDR family","CMGC protein kinase CDK family","Tyrosine protein kinase Fak family","TKL protein kinase
 RIPK family","Tyrosine protein kinase Sev family","Tyrosine protein kinase Syk family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Axl family","CAMK protein kinase MLCK family","T
yrosine protein kinase Trk family","Tyrosine protein kinase Tie family","TKL protein kinase RAF family","Tyrosine protein kinase EGFR family","CMGC protein kinase DYRK family","STE protein kinase STE1
1 family","TKL protein kinase MLK family","Purine receptor","CMGC protein kinase GSK family","TKL protein kinase STKR family","Other protein kinase PEK family","Tyrosine protein kinase FGFR family","T
KL protein kinase IRAK family","Other protein kinase NAK family","Other protein kinase NKF4 family","Tyrosine protein kinase InsR family","Tyrosine protein kinase DDR family","AGC protein kinase DMPK 
family","Atypical protein kinase RIO family","TKL protein kinase LRRK family","CAMK protein kinase unique family","Tyrosine protein kinase Alk family","Tyrosine protein kinase VEGFR family","Other pro
tein kinase CAMKK family","CMGC protein kinase CDKL family","CMGC protein kinase RCK family","Other protein kinase TTK family","Tyrosine protein kinase Ack family","Other protein kinase AUR family","T
yrosine protein kinase Met family","Tyrosine protein kinase Musk family","Other protein kinase PLK family","AGC protein kinase SGK family","CAMK protein kinase RAD53 family","Other protein kinase IKK 
family","Atypical protein kinase BCR family","AGC protein kinase RSK subfamily","STE protein kinase YSK subfamily","CK1 protein kinase CK1-g","STE protein kinase MSN subfamily","CMGC protein kinase JN
K subfamily","TKL protein kinase LIMK subfamily","CAMK protein kinase MELK subfamily","CAMK protein kinase MNK subfamily","AGC protein kinase PKC delta subfamily","CMGC protein kinase TAIRE subfamily"
,"CAMK protein kinase QIK subfamily","Tyrosine protein kinase Srm","STE protein kinase KHS subfamily","CMGC protein kinase PITSLRE subfamily","AGC protein kinase MSK subfamily","STE protein kinase SLK
 subfamily","CMGC protein kinase Dyrk2 subfamily","STE protein kinase ASK","STE protein kinase TAO subfamily","CMGC protein kinase HIPK subfamily","CMGC protein kinase PFTAIRE","TKL protein kinase MLK
 subfamily","CMGC protein kinase p38 subfamily","TKL protein kinase STKR Type 2 subfamily","CMGC protein kinase PCTAIRE","Other protein kinase PKR","STE protein kinase MST subfamily","STE protein kina
se MEKK2","STE protein kinase NinaC subfamily","TKL protein kinase TESK subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase ROCK subfamily","Atypical protein kinase RIO2 subfamily","TK
L protein kinase STKR Type 1 subfamily","CMGC protein kinase CDK8 subfamily","Tyrosine protein kinase SrcA","TKL protein kinase TAK1 subfamily","Other protein kinase Meta subfamily","CMGC protein kina
se CDC2 subfamily","TKL protein kinase LZK subfamily","STE protein kinase PAKA subfamily","AGC protein kinase CRIK subfamily","CMGC protein kinase CDK5 subfamily","CMGC protein kinase CDK7 subfamily",
"CMGC protein kinase MAK","CMGC protein kinase nmo subfamily","TKL protein kinase HH498 subfamily","CMGC protein kinase CDK9 subfamily","STE protein kinase FRAY subfamily","AGC protein kinase p70 subf
amily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","G protein-coupled receptors","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinas
es","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","CK1: Casein kinase 1","CAMK: Calcium/calmodulin-dependent protein kinases","5-Hydroxytryptamine receptors","P2Y receptors",Atypi
cal,"RSK family","STE20 family","CLK family","TK: Tyrosine kinase","Casein kinase 1 (CK1) family","Mitogen-activated protein kinases (MAP kinases)","TKL: Tyrosine kinase-like","STE7 family","CAMK-like
 (CAMKL) family","MAPK-Activated Protein Kinase (MAPKAPK) family","Other protein kinases","Protein kinase C (PKC) family","Protein kinase D (PKD) family","Protein kinase A (PKA) family","Cyclin-depend
ent kinase (CDK) family","Death-associated kinase (DAPK) family","NDR family","Myosin Light Chain Kinase (MLCK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","
STE11 family","Glycogen synthase kinase (GSK) family","DMPK family","RIO family","CAMK-unique family","CAMK1 family","Cyclin-dependent kinase-like (CDKL) family","RCK family","SGK family","RSK subfami
ly","YSK subfamily","Non-receptor tyrosine kinases (nRTKs)","MSN subfamily","JNK subfamily","LIM domain kinase (LISK) family","MELK subfamily","MKN subfamily","Unc-51-like kinase (ULK) family","Delta 
subfamily","Erk7 subfamily","Receptor tyrosine kinases (RTKs)","CDK4 subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","TAIRE subfamily","Receptor interacting protein kinase (RI
PK) family","QIK subfamily","KHS subfamily","PITSLRE subfamily","MSK subfamily","SLK subfamily","RAF family","Dyrk2 subfamily","TAO subfamily","HIPK subfamily","Mixed Lineage Kinase (MLK) family","GSK
 subfamily","p38 subfamily","Receptor serine/threonine kinase (RSTK) family","PEK family","Interleukin-1 receptor-associated kinase (IRAK) family","MST subfamily","Numb-associated kinase (NAK) family"
,"NinaC subfamily","NKF4 family","AMPK subfamily","Rho kinase","RIO2 subfamily","Leucine-rich repeat kinase (LRRK) family","CDK8 subfamily","IRE family","CAMKK family","CDK1 subfamily","PAKA subfamily
","Other DMPK family kinases","CDK5 subfamily","CDK7 subfamily","nmo subfamily","TTK family","Aurora kinase (Aur) family","CDK9 subfamily","Polo-like kinase (PLK) family","FRAY subfamily","CRK7 subfam
ily","CHK1 subfamily","IKK family","STE20 subfamily","Other-unique family","p70 subfamily","Tec family","Csk family","Janus kinase (JakA) family","LIMK subfamily","Abl family","Type XIV RTKs: RET","Fe
r family","Type XIII RTKs: Ephrin receptor family","Src family","Fak family","Type XVII RTKs: ROS receptors","Syk family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XI RTKs: TAM (TYR
O3-","AXL- and MER-TK) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type XII RTKs: TIE family of angiopoietin receptors","Type I RTKs: ErbB (epidermal growth factor) receptor fa
mily","MLK subfamily","Type II receptor serine/threonine kinases","Other PEK family kinases","Type V RTKs: FGF (fibroblast growth factor) receptor family","TESK subfamily","Type II RTKs: Insulin recep
tor family","Type XVI RTKs: DDR (collagen receptor) family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","TAK1 subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) r
eceptor family","Meta subfamily","LZK subfamily","Ack family","HH498 subfamily","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type IX RTKs: MuSK"}

> <pathway_reactome>
{"Neuronal System",Metabolism,Disease,"Cellular responses to external stimuli","Immune System","Developmental Biology","Signal Transduction","Cell Cycle","Programmed Cell Death","Circadian Clock","Gen
e expression (Transcription)","Vesicle-mediated transport","Cell-Cell communication","Extracellular matrix organization","Metabolism of RNA","Metabolism of proteins",Autophagy,Hemostasis,"Transport of
 small molecules","Transmission across Chemical Synapses","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second messengers","Cellular responses to stress","Cyto
kine Signaling in Immune system","Innate Immune System","Nervous system development","Signaling by Receptor Tyrosine Kinases","Infectious disease","Signaling by GPCR",Mitotic,Apoptosis,"Signaling by H
ippo","Signaling by Non-Receptor Tyrosine Kinases","MAPK family signaling cascades","RNA Polymerase II Transcription","Membrane Trafficking","Intracellular signaling by second messengers","Cell juncti
on organization","Non-integrin membrane-ECM interactions","rRNA processing","Signaling by NODAL","Unfolded Protein Response (UPR)","Disorders of Developmental Biology","Signaling by Rho GTPases",Macro
autophagy,"Signaling by WNT","Cell surface interactions at the vascular wall","ECM proteoglycans","Ion channel transport","Adaptive Immune System","Signaling by Hedgehog","MTOR signalling","Neurotrans
mitter receptors and postsynaptic signal transmission","Phospholipid metabolism","Oncogenic MAPK signaling","Cellular Senescence","Interferon Signaling","Toll-like Receptor Cascades","Axon guidance","
Signaling by FGFR","Leishmania infection","GPCR downstream signalling","Sphingolipid metabolism","GPCR ligand binding","Mitotic G1 phase and G1/S transition","Caspase activation via extrinsic apoptoti
c signalling pathway","HIV Infection","Signaling by Interleukins","Signaling by PTK6","Signaling by KIT in disease","Signaling by NTRKs","Signaling by Insulin receptor","Signaling by VEGF","Mitotic G2
-G2/M phases","M Phase","Signaling by PDGFR in disease","MAPK1/MAPK3 signaling","Generic Transcription Pathway","SARS-CoV Infections","Signaling by TGF-beta Receptor Complex in Cancer","Influenza Infe
ction","Signaling by FGFR in disease","trans-Golgi Network Vesicle Budding","DAG and IP3 signaling","Cell-extracellular matrix interactions","PIP3 activates AKT signaling","Neutrophil degranulation","
rRNA processing in the nucleus and cytosol","Regulation of lipid metabolism by PPARalpha","Regulation of signaling by NODAL","IRE1alpha activates chaperones","Disorders of Nervous System Development",
"Signaling by NOTCH1 in Cancer","RHO GTPase Effectors","Selective autophagy","Beta-catenin independent WNT signaling","Signaling by MST1","Signaling by ERBB2","Apoptotic execution phase","Stimuli-sens
ing channels","Signaling by SCF-KIT","TCR signaling","Hedgehog 'on' state","mTORC1-mediated signalling","Activation of NMDA receptors and postsynaptic events","PI Metabolism","Signaling by RAS mutants
","Oxidative Stress Induced Senescence","Interferon alpha/beta signaling","Toll Like Receptor 5 (TLR5) Cascade","Semaphorin interactions","Signaling by FGFR4","Parasite infection","G alpha (i) signall
ing events","Sphingolipid de novo biosynthesis","RET signaling","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","G1 Phase","Caspase activation via Dependence Receptors
 in the absence of ligand","EPH-Ephrin signaling","Host Interactions of HIV factors","Interleukin-2 family signaling","PTK6 Down-Regulation","Drug resistance of KIT mutants","Signaling by NTRK1 (TRKA)
","Insulin receptor signalling cascade","VEGFA-VEGFR2 Pathway","G2/M Transition","Mitotic Prophase","Drug resistance of PDGFR mutants","RAF/MAP kinase cascade","G alpha (q) signalling events","Antivir
al mechanism by IFN-stimulated genes","Transcriptional Regulation by TP53","Signaling by NTRK3 (TRKC)","SARS-CoV-1 Infection","Loss of Function of SMAD2/3 in Cancer","NS1 Mediated Effects on Host Path
ways","Signaling by FGFR1 in disease","Golgi Associated Vesicle Biogenesis","Signaling by FGFR2 in disease","CaM pathway","Regulation of cytoskeletal remodeling and cell spreading by IPP complex compo
nents","Negative regulation of the PI3K/AKT network","Toll Like Receptor 2 (TLR2) Cascade","Major pathway of rRNA processing in the nucleolus and cytosol","PTK6 promotes HIF1A stabilization","PPARA ac
tivates gene expression","Toll Like Receptor 4 (TLR4) Cascade","Transcriptional Regulation by VENTX","VEGF ligand-receptor interactions","PTEN Regulation","Signaling by FGFR3 in disease","Pervasive de
velopmental disorders","Transcriptional regulation by RUNX1","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","RHO GTPases activate CIT","HIV Life Cycle",Mitophagy,"Ca2+ pathway","Downregulation
 of ERBB2 signaling","Apoptotic cleavage of cellular proteins","Mitotic Metaphase and Anaphase","L1CAM interactions","Generation of second messenger molecules","Signaling by ROBO receptors","Post NMDA
 receptor activation events","Synthesis of PIPs at the plasma membrane","Signaling downstream of RAS mutants","Regulation of IFNA signaling","MyD88 cascade initiated on plasma membrane","Sema4D in sem
aphorin signaling","Negative regulation of FGFR4 signaling","Leishmania phagocytosis","Visual phototransduction","CRMPs in Sema3A signaling","Amine ligand-binding receptors","Anti-inflammatory respons
e favouring Leishmania parasite infection","Cyclin D associated events in G1","EPHA-mediated growth cone collapse","EPHB-mediated forward signaling","The role of Nef in HIV-1 replication and disease p
athogenesis","Interleukin-2 signaling","Dasatinib-resistant KIT mutants","Signalling to ERK5","IRS-mediated signalling","Centrosome maturation","Nuclear Envelope Breakdown","Imatinib-resistant PDGFR m
utants","Activation of TRKA receptors","Signalling to ERKs","Gastrin-CREB signalling pathway via PKC and MAPK","ISG15 antiviral mechanism","Regulation of TP53 Activity","Nucleotide-like (purinergic) r
eceptors","Activated NTRK3 signals through PI3K","SARS-CoV-1 Genome Replication and Transcription","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Inhibition of PKR","FGFR1 mutant receptor activati
on","FGFR2 mutant receptor activation","Calmodulin induced events",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Toll Like Receptor TLR6:TLR2 Cascade","MyD88-independent TLR4 cascade","VEGF binds 
to VEGFR leading to receptor dimerization","Regulation of PTEN stability and activity","Signaling by FGFR3 point mutants in cancer","Loss of function of MECP2 in Rett syndrome","Ephrin signaling","RUN
X1 regulates transcription of genes involved in BCR signaling","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Late Phase of HIV Life Cycle","VEGFR2 mediated cell proliferation","Downstream
 signaling of activated FGFR4","Negative regulation of MAPK pathway","Receptor Mediated Mitophagy","Interleukin-15 signaling","Mitotic Anaphase","Recycling pathway of L1","Role of ABL in ROBO-SLIT sig
naling","TP53 Regulates Transcription of DNA Repair Genes","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","MAP kinase activation","Sema4D induced cell migration and
 growth-cone collapse","Spry regulation of FGF signaling","FCGR3A-mediated phagocytosis","The phototransduction cascade","Serotonin receptors","ADORA2B mediated anti-inflammatory cytokines production"
,"Nef and signal transduction","FCGR3A-mediated IL10 synthesis","PI3K Cascade","Recruitment of mitotic centrosome proteins and complexes","Activation of NIMA Kinases NEK9",NEK6,NEK7,"NGF-independant T
RKA activation","Prolonged ERK activation events","EGFR Transactivation by Gastrin","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Regulation of TP53
 Activity through Phosphorylation","P2Y receptors","Replication of the SARS-CoV-1 genome","Signalling to RAS","Signaling by activated point mutants of FGFR1","Activated point mutants of FGFR2","PKA-me
diated phosphorylation of CREB","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","TRIF(TICAM1)-mediated TLR4 signaling","FGFR3 mutant receptor activation","Loss of proteins required for interph
ase microtubule organization from the centrosome","Loss of phosphorylation of MECP2 at T308","Activation of RAC1 downstream of NMDARs","Regulation of TP53 Expression and Degradation","Activation of AM
PK downstream of NMDARs","Transcription of the HIV genome","FRS-mediated FGFR4 signaling","Negative feedback regulation of MAPK pathway","Sema4D mediated inhibition of cell attachment and migration","
Separation of Sister Chromatids","RSK activation","MAPK targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation",Inactivation,"recovery and regulation of the phot
otransduction cascade","ARMS-mediated activation","Nef Mediated CD4 Down-regulation","p38MAPK events","PKA activation","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human 
TAK1","TRAF6-mediated induction of TAK1 complex within TLR4 complex","IKK complex recruitment mediated by RIP1","Signaling by activated point mutants of FGFR3","Loss of Nlp from mitotic centrosomes","
Regulation of TP53 Degradation","HIV Transcription Elongation","Activation of the AP-1 family of transcription factors","CREB phosphorylation","Tat-mediated elongation of the HIV-1 transcript","Format
ion of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"AST 487",630124-46-8,630124468,AST-487,AST487,NVP-AST487,NVPAST487,UNII-W34UO2M4T6,UNIIW34UO2M4T6,W34UO2M4T6,C26H30F3N7O2,"NVP-AST 487","NVPAST 487",NVP-AST-487,Kinome_3855,Kinome3855,Kinome-3855,"K
inome 3855",cc-640,cc640,AST-48,AST48,CHEMBL574738,GTPL5661,SCHEMBL1684259,BDBM31085,AST-487/AST487,AST487/AST487,DTXSID70212239,SYN1210,cid_11409972,cid11409972,cid-11409972,"cid 11409972",BCP2158,T4
053}

> <pdid>
PD012708

> <targets>
{c-Kit,RET,FLT4,KDR,Bcr-Abl,FLT3,VEGFR}

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

> <pubchem_cids>
{11409972}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 25 27  0  0  0  0            999 V2000
    0.4281   -3.2466    0.0000 C   0  0
    1.2925   -3.7494    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 Cl  0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -2.5000    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  9  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18  6  1  0
 18 19  2  0
  3 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_L9000_Apoptosis Compound Library

> <id>
25778

> <plate>
PLATE 003

> <well>
B11

> <supplier_cmpd_name>
Laquinimod

> <ctcr_id>
5404

> <supplier_cmpd_id>
.

> <smiles>
CCN(C(=O)C1=C(O)c2c(Cl)cccc2N(C)C1=O)c3ccccc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{CXCL2}

> <broad_moa>
{immunosuppressant}

> <synonyms>
{Laquinimod,248281-84-7,248281847,ABR-215062,ABR215062,"ABR 215062","CIVENTICHEM CV-4057","CIVENTICHEM CV4057",UNII-908SY76S4G,UNII908SY76S4G,248282-07-7,248282077,"Laquinimod (ABR-215062)","Laquinimo
d (ABR215062)",908SY76S4G,C19H17ClN2O3,MFCD08689859,"Laquinimod (INN)",SMR004701305,Lanquinimod,CIVENTICHEM,cc-96,cc96,ABR-2,ABR2,T6561,S2787}

> <pdid>
PD010572

> <targets>
{Others,Apoptosis,NF-ºB}

> <classes>
{Others,Apoptosis,NF-ºB}

> <pubchem_cids>
{54677946}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 40 41  0  0  1  0            999 V2000
    6.4897   -5.2632    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0  2  0  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
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5988    1.5004    0.0000 C   0  0
    3.8983    0.7513    0.0000 C   0  0
    2.5983    3.0004    0.0000 C   0  0
    3.8975    2.2511    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    4.3204   -8.0102    0.0000 O   0  0
    6.4855   -8.2648    0.0000 N   0  0
    6.4833   -9.7656    0.0000 C   0  0  1  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 O   0  0
    3.8868   -8.7566    0.0000 O   0  0
    7.7815  -10.5187    0.0000 C   0  0
    9.0819   -9.7710    0.0000 O   0  0
    7.7794  -12.0195    0.0000 C   0  0
    9.0776  -12.7726    0.0000 O   0  0
    9.0755  -14.2734    0.0000 C   0  0
   10.3719  -15.0280    0.0000 C   0  0
   11.6735  -14.2826    0.0000 F   0  0
   10.3667  -16.5280    0.0000 C   0  0
   11.6631  -17.2825    0.0000 F   0  0
    9.0651  -17.2735    0.0000 C   0  0
    7.7687  -16.5190    0.0000 C   0  0
    6.4670  -17.2645    0.0000 F   0  0
    7.7738  -15.0190    0.0000 C   0  0
    6.4774  -14.2646    0.0000 F   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 10 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
  2 19  1  0
 19 20  2  0
 19 21  1  0
 22 21  1  6
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 22 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  2  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 39 31  1  0
 39 40  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25779

> <plate>
PLATE 003

> <well>
C2

> <supplier_cmpd_name>
Emricasan

> <ctcr_id>
11832

> <supplier_cmpd_id>
.

> <smiles>
C[C@H](NC(=O)C(=O)Nc1c(cccc1)C(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1c(F)c(F)cc(F)c1F

> <pd_targets>
{CASP8,CASP3,CASP1,CASP10,CASP12,CASP14,CASP2,CASP4,CASP5,CASP6,CASP7,CASP9}

> <pathway_gtopdb>
{Enzyme,Protease,"Cysteine protease","Cysteine protease CD clan","Cysteine protease C14 family","Cysteine protease C14A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","CD: Cysteine (C) Peptidases","C14: Caspase"}

> <pathway_reactome>
{"Immune System","Programmed Cell Death","Innate Immune System",Apoptosis,"Toll-like Receptor Cascades","Intrinsic Pathway for Apoptosis","Toll Like Receptor 4 (TLR4) Cascade","Apoptotic factor-mediat
ed response","MyD88-independent TLR4 cascade","Cytochrome c-mediated apoptotic response","TRIF(TICAM1)-mediated TLR4 signaling","Activation of caspases through apoptosome-mediated cleavage","TRIF-medi
ated programmed cell death"}

> <broad_targets>
{CASP1,CASP3,CASP7}

> <broad_moa>
{"caspase inhibitor"}

> <synonyms>
{Emricasan,254750-02-2,254750022,IDN-6556,IDN6556,PF-03491390,PF03491390,UNII-P0GMS9N47Q,UNIIP0GMS9N47Q,"PF 03491390",P0GMS9N47Q,VAY785,C26H27F4N3O7,VAY-785,"IDN 6556","Emricasan (USAN:INN)","Emricasa
n (USAN/INN)",CHEMBL197672,GTPL6508,SCHEMBL3288801,DTXSID10180160,AMY36447,BCP07463,EX-A16,EXA16,T6826}

> <pdid>
PD051788

> <targets>
{Caspase,Influenza Virus}

> <classes>
{Apoptosis,Proteases/Proteasome,Anti-infection}

> <pubchem_cids>
{12000240}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 49 53  0  0  1  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 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
   -2.5997   -3.0004    0.0000 C   0  0
   -3.8976   -0.7500    0.0000 C   0  0
   -3.8982   -2.2498    0.0000 C   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.9492    0.8772    0.0000 N   0  0
    4.9546    1.9904    0.0000 C   0  0  1  0  0  0
    5.5315    2.8072    0.0000 C   0  0
    5.5373    0.6215    0.0000 C   0  0
    4.6358   -0.5774    0.0000 C   0  0
    5.2234   -1.9575    0.0000 C   0  0
    6.7124   -2.1388    0.0000 C   0  0
    7.2999   -3.5189    0.0000 Cl  0  0
    7.6138   -0.9399    0.0000 C   0  0
    7.0263    0.4403    0.0000 C   0  0
    4.2067    3.2906    0.0000 C   0  0  2  0  0  0
    3.3088    4.4922    0.0000 C   0  0
    2.7389    2.9810    0.0000 N   0  0
    1.6174    3.9744    0.0000 C   0  0
    1.9177    5.4440    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
   -4.0725    2.0651    0.0000 C   0  0
   -4.3684    0.5937    0.0000 C   0  0
   -5.7903    0.1134    0.0000 C   0  0
   -6.0862   -1.3580    0.0000 S   0  0
   -7.5072   -1.8381    0.0000 O   0  0
   -4.9601   -2.3490    0.0000 O   0  0
   -6.3812   -2.8287    0.0000 C   0  0
   -1.5264    1.5525    0.0000 C   0  0
   -0.1043    2.0296    0.0000 C   0  0
    5.6886    3.4218    0.0000 C   0  0
    6.3211    4.7819    0.0000 C   0  0
    7.8152    4.9142    0.0000 C   0  0
    8.6769    3.6863    0.0000 C   0  0
   10.1710    3.8186    0.0000 Cl  0  0
    8.0443    2.3262    0.0000 C   0  0
    6.5502    2.1939    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
  8 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
  5 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  1  1
 16 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
 16 25  1  0
 25 26  1  1
 25 27  1  0
 27 14  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 37 39  2  0
 37 40  1  0
 33 41  1  0
 41 42  1  0
 42 30  1  0
 25 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
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25780

> <plate>
PLATE 003

> <well>
C3

> <supplier_cmpd_name>
RG-7112

> <ctcr_id>
11981

> <supplier_cmpd_id>
.

> <smiles>
CCOc1c(ccc(c1)C(C)(C)C)C1=N[C@@](C)(c2ccc(Cl)cc2)[C@](C)(N1C(=O)N1CCN(CCCS(=O)(=O)C)CC1)c1ccc(Cl)cc1

> <pd_targets>
{MDM2}

> <pathway_gtopdb>
{Enzyme,Ligase}

> <pathway_chembl>
{Enzymes,"E3 ubiquitin ligase components"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Expression a
nd Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{MDM2}

> <broad_moa>
{"MDM inhibitor"}

> <synonyms>
{G711,RG7112,939981-39-2,939981392,RG-7112,RO5045337,RO-5045337,UNII-Q8MI0X869M,UNIIQ8MI0X869M,Q8MI0X869M,CHEMBL2386346,"RG 7112","Ro 5045337",GTPL9599,SCHEMBL12704861,DTXSID60240182,BCP07937,EX-A1686
,EXA1686,BDBM50434287,NSC809100,s7030,ZINC96270381,CCG-270414,CCG270414,CS-0330,CS0330,DB14793,NSC-8091,NSC8091,T6965}

> <pdid>
PD012856

> <targets>
{Mdm2}

> <classes>
{Apoptosis}

> <pubchem_cids>
{57406853}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 35 39  0  0  0  0            999 V2000
    6.5007   -5.2464    0.0000 C   0  0
    5.2032   -5.9990    0.0000 C   0  0
    3.9026   -5.2517    0.0000 C   0  0
    3.8995   -3.7516    0.0000 C   0  0
    5.1971   -2.9990    0.0000 C   0  0
    6.4977   -3.7464    0.0000 C   0  0
    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
    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 C   0  0
    0.6936    4.0776    0.0000 N   0  0
    2.1603    3.7634    0.0000 O   0  0
   -2.6838    4.3363    0.0000 C   0  0
   -4.1756    4.1795    0.0000 C   0  0
   -4.7857    2.8092    0.0000 C   0  0
   -3.9040    1.5956    0.0000 C   0  0
   -5.0577    5.3937    0.0000 S   0  0
   -6.5495    5.2364    0.0000 O   0  0
   -5.9400    6.6068    0.0000 O   0  0
   -4.4482    6.7651    0.0000 N   0  0
   -5.3303    7.9793    0.0000 C   0  0
   -4.7231    9.3509    0.0000 C   0  0
   -5.6072   10.5627    0.0000 C   0  0
   -7.0987   10.4028    0.0000 C   0  0
   -7.7060    9.0313    0.0000 C   0  0
   -6.8219    7.8196    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
  8 10  2  0
  8 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
 14 17  1  0
 17 18  2  3
 18 19  1  0
 19 13  1  0
 19 20  2  3
 20 21  1  0
 18 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  3
 25 17  1  0
 23 26  1  0
 26 27  2  0
 26 28  2  0
 26 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 30  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25781

> <plate>
PLATE 003

> <well>
C4

> <supplier_cmpd_name>
FIN56

> <ctcr_id>
11982

> <supplier_cmpd_id>
.

> <smiles>
C1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)S(=O)(=O)NC5CCCCC5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{FIN56,1083162-61-1,1083162611,"N2,N7-dicyclohexyl-9-(hydroxyimino)-9H-fluorene-2,7-disulfonamide","N2,N7dicyclohexyl9(hydroxyimino)9Hfluorene2,7disulfonamide","FIN 56",FIN-56,"FIN56;FIN 56",SCHEMBL21
460308,BCP29145,s8254,AKOS034831611,CCG-269836,CCG269836,CS-7632,CS7632,AK689253,BS-14396,BS14396,HY-103087,HY103087,2-N,2N,7-N-Dicyclohexyl-9-hydroxyiminoflu,7NDicyclohexyl9hydroxyiminoflu,T4066}

> <pdid>
PD063582

> <targets>
{Ferroptosis}

> <classes>
{"Cell Cycle/Checkpoint"}

> <pubchem_cids>
{118986699}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 23 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
    0.0000   -3.0000    0.0000 Cl  0  0
   -2.4133    1.7530    0.0000 C   0  0
   -3.8813    1.4408    0.0000 C   0  0
   -4.5721    0.1291    0.0000 C   0  0
   -3.9177   -1.2205    0.0000 O   0  0
   -6.0471    0.4021    0.0000 N   0  0
   -6.2433    1.8892    0.0000 C   0  0
   -7.5617    2.6046    0.0000 S   0  0
   -4.8896    2.5353    0.0000 S   0  0
   -7.1358   -0.6273    0.0000 C   0  0
   -8.5743   -0.1993    0.0000 C   0  0
   -9.6648   -1.2304    0.0000 C   0  0
  -11.1025   -0.8027    0.0000 O   0  0
   -9.3168   -2.6895    0.0000 O   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.5532    4.4223    0.0000 O   0  0
   -0.3115    2.9665    0.0000 N   0  0
  1  2  2  3
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  1  1  0
  6  7  1  0
  4  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15  9  1  0
 12 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
  8 21  1  0
 21 22  2  0
 21 23  1  0
 23  3  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25782

> <plate>
PLATE 003

> <well>
C5

> <supplier_cmpd_name>
FX1

> <ctcr_id>
11983

> <supplier_cmpd_id>
.

> <smiles>
C1=CC2=C(C=C1Cl)/C(=C/3\C(=O)N(C(=S)S3)CCC(=O)O)/C(=O)N2

> <pd_targets>
{BCL6}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{"Other protein targets","Transcription factors","BTB (POZ) domain containing TFs"}

> <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 several additional cell death genes whose specific roles in p53-dependent apoptosis remain uncertain"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1426138-42-2,1426138422,FX1,"FX 1",CHEMBL4061302,SCHEMBL16321941,SCHEMBL16323186,CHEBI:133537,BCP20471,EX-A2025,EXA2025,s8591,CCG-268276,CCG268276,CS-7688,CS7688,MCULE-9785021905,MCULE9785021905,BS-1
5565,BS15565,HY-102027,HY102027,AK00783069,T4089}

> <pdid>
PD063732

> <targets>
{BCL-6}

> <classes>
{Apoptosis}

> <pubchem_cids>
{135886621}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 19 21  0  0  0  0            999 V2000
    5.0987    2.6005    0.0000 C   0  0
    5.8442    3.9021    0.0000 C   0  0
    7.3442    3.9074    0.0000 C   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 C   0  0
    5.1047    0.0031    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 C   0  0
    3.1882   -2.6401    0.0000 O   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
   -1.2990    0.7500    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
    8.0897    5.2090    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  8  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 11  1  0
 15 18  1  0
  3 19  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25783

> <plate>
PLATE 003

> <well>
C6

> <supplier_cmpd_name>
Hispidol

> <ctcr_id>
11984

> <supplier_cmpd_id>
.

> <smiles>
c1cc(ccc1/C=C\1/C(=O)c2c(O1)cc(cc2)O)O

> <pd_targets>
{MAOA,MAOB,ADORA1,TYR}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Oxidoreductase,"Family A G protein-coupled receptor","Small molecule receptor (family A GPCR)","Nucleotide-like receptor (family A GPCR)","Adenosine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,"Catecholamine turnover","G protein-coupled receptors","1.-.-.- Oxidoreductases","Adenosine receptors"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Biological oxidations","Signaling by GPCR","Metabolism of amino acids and derivatives","Phase I - Functionalization of compounds","GPCR ligand binding","Melanin bios
ynthesis","Amine Oxidase reactions","Class A/1 (Rhodopsin-like receptors)","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Nucleotide-like (purinergic) receptors","Adenosin
e P1 receptors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Hispidol,5786-54-9,5786549,UNII-CS1235I0WT,UNIICS1235I0WT,"(Z)-4',6-Dihydroxyaurone","(Z)4',6Dihydroxyaurone",CHEBI:5731,CHEMBL426110,CS1235I0WT,NSC356828,(2Z)-6-hydroxy-2-((4-hydroxyphenyl)methylide
ne)-1-benzofuran-3-one,(2Z)6hydroxy2((4hydroxyphenyl)methylidene)1benzofuran3one,"3(2H)-Benzofuranone, 6-hydroxy-2-((4-hydroxyphenyl)methylene)-, (2Z)-","3(2H)Benzofuranone, 6hydroxy2((4hydroxyphenyl)
methylene), (2Z)",T4319}

> <pdid>
PD087518

> <targets>
{TNF-¦Á,TNF Receptor}

> <classes>
{Apoptosis}

> <pubchem_cids>
{5281254}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 26 29  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
   -2.5972   -1.5031    0.0000 N   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 S   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 N   0  0
   -2.5843   -7.5034    0.0000 C   0  0
   -2.5895   -6.0034    0.0000 C   0  0
   -3.8756   -9.7587    0.0000 C   0  0
   -5.1708  -10.5153    0.0000 C   0  0
   -5.1632  -12.0153    0.0000 C   0  0
   -3.8604  -12.7587    0.0000 C   0  0
   -2.5652  -12.0022    0.0000 C   0  0
   -2.5728  -10.5022    0.0000 N   0  0
    0.0000   -1.5000    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 C   0  0
    0.0000    3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
 13 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  3
 21 16  1  0
  5 22  1  0
 22  1  1  0
  4 23  1  0
 23 24  2  3
 24 25  1  0
 25 26  2  3
 26  3  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25784

> <plate>
PLATE 003

> <well>
C7

> <supplier_cmpd_name>
COTI-2

> <ctcr_id>
11985

> <supplier_cmpd_id>
.

> <smiles>
C1CC2=C(C(=NNC(=S)N3CCN(CC3)C4=CC=CC=N4)C1)N=CC=C2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"anticancer agent"}

> <synonyms>
{OTI,COTI-2,COTI2,1039455-84-9,1039455849,"COTI2; COTI 2",SCHEMBL19859846,BCP28961,AK00799419,T4325}

> <pdid>
PD044386

> <targets>
{p53 mutants,Apoptosis,MDM-2/p53}

> <classes>
{Apoptosis}

> <pubchem_cids>
{74334923}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 26 27  0  0  0  0            999 V2000
    7.0600   -6.1102    0.0000 C   0  0
    6.5938   -4.6845    0.0000 C   0  0
    7.5957   -3.5682    0.0000 C   0  0
    5.1253   -4.3743    0.0000 N   0  0
    4.6589   -2.9478    0.0000 C   0  0
    3.1905   -2.6376    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
   -2.6003    1.4977    0.0000 C   0  0
   -3.8983    0.7459    0.0000 O   0  0
   -2.6030    2.9977    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   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
    3.3338    2.5831    0.0000 C   0  0
    5.4332    4.1123    0.0000 C   0  0
    4.5498    5.3245    0.0000 O   0  0
    6.9248    4.2717    0.0000 C   0  0
   10.0962   -0.3929    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  3
 13  8  1  0
 11 14  1  0
 14 15  2  0
 14 16  1  0
  9 17  1  0
 17 18  2  3
 18  7  1  0
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  2  3
 22 17  1  0
 21 23  1  0
 23 24  2  0
 23 25  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25785

> <plate>
PLATE 003

> <well>
C8

> <supplier_cmpd_name>
CBL0137 hydrochloride

> <ctcr_id>
11986

> <supplier_cmpd_id>
.

> <smiles>
CC(C)NCCN1C2=C(C=C(C=C2)C(=O)C)C3=C1C=CC(=C3)C(=O)C.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"histone chaperone inhibitor"}

> <synonyms>
{CBL0137(CBL-0137),CBL0137(CBL0137),"CBL0137 hydrochloride",1197397-89-9,1197397899,"cblc137 hydrochloride",UNII-FOY14S7DFX,UNIIFOY14S7DFX,FOY14S7DFX,HMS3749A19,BCP29139,HY-18935A,HY18935A,s8483,CCG-2
68335,CCG268335,BS-14612,BS14612,AK00783042,CS-0033711,CS0033711,Q27278110,T4361}

> <pdid>
PD017006

> <targets>
{FACT,p53,NF-¦ÊB,MDM-2/p53,NF-ºB}

> <classes>
{Apoptosis,NF-¦ªb,NF-ºB}

> <pubchem_cids>
{44519123}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 15 15  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.1996    1.4928    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25786

> <plate>
PLATE 003

> <well>
C9

> <supplier_cmpd_name>
Ibuprofen

> <ctcr_id>
304

> <supplier_cmpd_id>
.

> <smiles>
CC(C)Cc1ccc(cc1)C(C)C(O)=O

> <pd_targets>
{PTGS1,CYP2C9,BLM,CXCR1,CXCR2,NFO,PTGS2,TSHR,PMP22,LMNA,AKR1C3,AKR1C2,BCL2,THBD,PLAT,FABP2,PPARG,CFTR,SLC5A8,NFKB1,ALB,ALOX5,DHRS9,PTGDS,FABP1,SLC22A20,SLC22A6,ASIC1,PPARA,GP1BA,S100A7,CXCL8}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein","Other nuclear protein","Ion channel","Auxiliary transport protein","Transcription factor",Oxidoreductase,"Cytochrome P450","Family A G protein-coupl
ed receptor",Hydrolase,"Other ion channel",Protease,"Fatty acid binding protein family","Nuclear receptor","Cytochrome P450 family 2","Peptide receptor (family A GPCR)","Miscellaneous ion channel","Se
rine protease","Nuclear hormone receptor subfamily 1","Chloride channel","Cytochrome P450 family 2C","Chemokine receptor","Glycohormone receptor","Bcl-2 family","Serine protease PA clan","Nuclear horm
one receptor subfamily 1 group C","Cystic fibrosis transmembrane conductance regulator","Cytochrome P450 2C9","CXC chemokine receptor","Serine protease S1A subfamily","Nuclear hormone receptor subfami
ly 1 group C member 3","Other cytosolic protein","Secreted protein",Transporter,Isomerase,"Electrochemical transporter","Ligand-gated ion channel","SLC superfamily of solute carriers","Acid-sensing io
n channel","SLC22 family of organic cation and anion transporters","Nuclear hormone receptor subfamily 1 group C member 1"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Ion channels","Eicosanoid turnover","Cytochrome P450","G protein-coupled receptors","B-cell lymphoma 2 (Bcl-2) protein family","Peptidases and proteinases",
"Fatty acid-binding proteins","Nuclear hormone receptors","Other ion channels",Cyclooxygenase,"CYP2 family: drug metabolising subset","Glycoprotein hormone receptors","Prostaglandin synthases","PA: Se
rine (S) Peptidases","1C. Peroxisome proliferator-activated receptors","Chloride channels","S1: Chymotrypsin",CFTR,Transporters,"SLC superfamily of solute carriers","Ligand-gated ion channels","SLC5 f
amily of sodium-dependent glucose transporters",Lipoxygenases,"SLC22 family of organic cation and anion transporters","Acid-sensing (proton-gated) ion channels (ASICs)","Sodium iodide symporter","sodi
um-dependent multivitamin transporter and sodium-coupled monocarboxylate transporters","Orphan or poorly characterized SLC22 family members","Organic anion transporters (OATs)"}

> <pathway_reactome>
{Metabolism,"DNA Repair",Disease,"Developmental Biology","Cell Cycle","Immune System",Hemostasis,"Signal Transduction","Gene expression (Transcription)",Autophagy,"Metabolism of lipids","Biological ox
idations","DNA Double-Strand Break Repair","Infectious disease","Nervous system development",Mitotic,"Innate Immune System","Formation of Fibrin Clot (Clotting Cascade)","Signaling by Receptor Tyrosin
e Kinases","RNA Polymerase II Transcription",Macroautophagy,"Fatty acid metabolism","Phase I - Functionalization of compounds","Homology Directed Repair","Biosynthesis of specialized proresolving medi
ators (SPMs)","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Metabolism of steroids","Nucleotide-binding domain","leucine rich repeat containing rec
eptor (NLR) signaling pathways","Common Pathway of Fibrin Clot Formation","Signaling by PDGF","Triglyceride metabolism","Generic Transcription Pathway","Selective autophagy","Arachidonic acid metaboli
sm","Cytochrome P450 - arranged by substrate type","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Biosynthesis of DPA-derived SPMs","Leishmania parasite growth and surv
ival","Mitotic Metaphase and Anaphase","Bile acid and bile salt metabolism",Inflammasomes,"Triglyceride catabolism","Transcriptional Regulation by MECP2",Aggrephagy,"Synthesis of Prostaglandins (PG) a
nd Thromboxanes (TX)",Xenobiotics,"HDR through Homologous Recombination (HRR)","Biosynthesis of DPAn-3 SPMs","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Sy
nthesis of bile acids and bile salts","The NLRP1 inflammasome","MECP2 regulates transcription factors","CYP2E1 reactions","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammato
ry cytokines production","Nuclear Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 24-hydroxycholesterol","Presynaptic phase of homologous DNA pairing and strand exchange","Initia
tion of Nuclear Envelope (NE) Reformation","Transport of small molecules","Metabolism of vitamins and cofactors","Cytokine Signaling in Immune system","Signaling by GPCR","SLC-mediated transmembrane t
ransport","Ion channel transport","Diseases of hemostasis","Metabolism of water-soluble vitamins and cofactors","Signaling by Interleukins","GPCR downstream signalling","Regulation of lipid metabolism
 by PPARalpha","Transport of bile salts and organic acids","metal ions and amine compounds","Stimuli-sensing channels","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","A
ntimicrobial peptides","GPCR ligand binding","Nicotinate metabolism","Interleukin-1 family signaling","G alpha (i) signalling events","PPARA activates gene expression","Organic cation/anion/zwitterion
 transport","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Defective factor IX causes hemophilia B","Metal sequestration by antimicrobial proteins","Class A/1 (Rhodopsin-like receptors)","
Nicotinamide salvaging","Interleukin-1 signaling","Recycling of bile acids and salts","Visual phototransduction","Organic anion transport","Activation of gene expression by SREBF (SREBP)","Defective F
9 activation","Peptide ligand-binding receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived 13-series resolvins","The canonical retinoid cycle in rods (twilight visio
n)","Chemokine receptors bind chemokines"}

> <broad_targets>
{ASIC1,PTGS1,PTGS2,SLC5A8}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{ibuprofen,Nobgen,PediaProfen,Rufen,Nobfelon,Brufort,Inabrin,Pantrop,Rebugen,Suspren,Tabalon,(RS)-Ibuprofen,(RS)Ibuprofen,Anco,Urem,Ibu-slo,Ibuslo,Brufanic,Ibuprohm,Napacetin,Ibufen,Ibren,"4-Isobutylh
ydratropic acid","4Isobutylhydratropic acid","p-Isobutylhydratropic acid","pIsobutylhydratropic acid",Proartinal,Dibufen,T1394,T0448,SAM002264619,1500347,Ibuprofen,Dexibuprofen,CPD000058184,IBUPROFEN}

> <pdid>
PD001306

> <targets>
{}

> <classes>
{antiinflammatory}

> <pubchem_cids>
{3672}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 45 49  0  0  1  0            999 V2000
   -3.6112    1.9619    0.0000 C   0  0
   -4.9103    1.2119    0.0000 C   0  0
   -6.2091    1.9623    0.0000 O   0  0
   -4.9097   -0.2889    0.0000 O   0  0
   -3.6100   -1.0400    0.0000 C   0  0  1  0  0  0
   -2.3300   -0.3100    0.0000 C   0  0
   -1.0600   -1.0400    0.0000 C   0  0  1  0  0  0
   -1.0600    0.4600    0.0000 O   0  0
    0.2100   -0.3100    0.0000 C   0  0  1  0  0  0
    0.2020    1.1912    0.0000 O   0  0
   -1.1014    1.9354    0.0000 C   0  0
   -2.3966    1.1788    0.0000 O   0  0
   -1.1094    3.4362    0.0000 C   0  0
   -2.4110    4.1820    0.0000 C   0  0
   -2.4160    5.6819    0.0000 C   0  0
   -1.1195    6.4363    0.0000 C   0  0
    0.1820    5.6907    0.0000 C   0  0
    0.1871    4.1907    0.0000 C   0  0
    1.4900   -1.0400    0.0000 C   0  0  2  0  0  0
    2.7600   -0.3100    0.0000 C   0  0  2  0  0  0
    3.4900    0.9500    0.0000 C   0  0
    4.7600    0.2300    0.0000 O   0  0
    4.0400   -1.0400    0.0000 C   0  0  2  0  0  0
    4.0400   -2.4900    0.0000 C   0  0
    2.7600   -3.2200    0.0000 C   0  0  2  0  0  0
    2.7575   -4.7200    0.0000 O   0  0
    1.4900   -2.4900    0.0000 C   0  0  2  0  0  0
    1.4875   -3.9900    0.0000 C   0  0
    0.2100   -3.2200    0.0000 C   0  0  1  0  0  0
    0.2075   -4.7200    0.0000 O   0  0
   -1.0600   -2.4900    0.0000 C   0  0  2  0  0  0
   -1.0569   -0.9888    0.0000 O   0  0
    0.4215   -0.7303    0.0000 C   0  0
    1.3837   -1.8810    0.0000 C   0  0
    0.9374    0.6782    0.0000 O   0  0
   -2.3300   -3.2200    0.0000 C   0  0
   -3.6100   -2.4900    0.0000 C   0  0
   -4.9070   -3.2434    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
    2.5124   -1.7910    0.0000 O   0  0
    1.1044   -2.3107    0.0000 C   0  0
   -0.0487   -1.3514    0.0000 C   0  0
    0.8498   -3.7890    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  1
  7  9  1  0
  9 10  1  1
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 19  9  1  6
 19 20  1  0
 20 21  1  0
 21 22  1  0
 23 22  1  6
 23 20  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  6
 25 27  1  0
 27 19  1  0
 27 28  1  6
 27 29  1  0
 29 30  1  1
 29 31  1  0
 31 32  1  1
 32 33  1  0
 33 34  1  0
 33 35  2  0
 31 36  1  0
 36 37  2  3
 37  5  1  0
 37 38  1  0
 36 39  1  0
 39  7  1  0
 39 40  1  0
 39 41  1  0
 20 42  1  1
 42 43  1  0
 43 44  1  0
 43 45  2  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25787

> <plate>
PLATE 003

> <well>
C10

> <supplier_cmpd_name>
9-dihydro-13-acetylbaccatin III

> <ctcr_id>
11987

> <supplier_cmpd_id>
.

> <smiles>
CC(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)[C@@H](O)[C@H](OC(C)=O)C(=C1C)C2(C)C)OC(C)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{4220365,"9-Dihydro-13-acetylbaccatin III","9Dihydro13acetylbaccatin III",142203-65-4,142203654,"13-Acetyl-9-dihydrobaccatin III","13Acetyl9dihydrobaccatin III",Ddabvi,"7,9-Dideacetylbaccatin VI","7,9
Dideacetylbaccatin VI","7,9-Dideacetyl baccatin VI","7,9Dideacetyl baccatin VI",CHEMBL75533,SCHEMBL12650493,DTXSID60931386,13-Acetyl-9-dihydrobaccatin-III,13Acetyl9dihydrobaccatinIII,13-O-Acetyl-9-dih
ydroba,13OAcetyl9dihydroba,T5132,"9-dihydro-13-acetylbaccatin III"}

> <pdid>
PD012176

> <targets>
{"Apoptosis inducer"}

> <classes>
{Apoptosis}

> <pubchem_cids>
{3083352}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 35 37  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 S   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.5993    0.0004    0.0000 O   0  0
    1.3000   -0.7500    0.0000 O   0  0
   11.5904    0.3824    0.0000 O   0  0
   12.8907    1.1301    0.0000 C   0  0
   12.8928    2.6309    0.0000 N   0  0
   11.5946    3.3840    0.0000 C   0  0
   11.5946    4.8840    0.0000 C   0  0
   10.2956    5.6340    0.0000 C   0  0
    8.9965    4.8840    0.0000 C   0  0
    8.9965    3.3840    0.0000 C   0  0
   10.2956    2.6340    0.0000 C   0  0
    7.6963    5.6345    0.0000 C   0  0
    8.9090    6.4540    0.0000 C   0  0
    8.4439    7.8801    0.0000 C   0  0
    6.9439    7.8784    0.0000 C   0  0
    6.4819    6.4513    0.0000 C   0  0
    6.3982    4.8813    0.0000 C   0  0
    5.1007    4.1286    0.0000 N   0  0
   14.1889    0.3770    0.0000 C   0  0
   15.4881    1.1270    0.0000 C   0  0
   16.7871    0.3769    0.0000 C   0  0
   16.7870   -1.1231    0.0000 C   0  0
   15.4880   -1.8730    0.0000 N   0  0
   14.1890   -1.1230    0.0000 C   0  0
   12.8908   -1.8761    0.0000 N   0  0
   12.8929   -3.3769    0.0000 C   0  0
   11.5947   -4.1300    0.0000 C   0  0
   11.5947   -5.6301    0.0000 C   0  0
   10.2957   -6.3801    0.0000 C   0  0
    8.9966   -5.6301    0.0000 N   0  0
    8.9965   -4.1301    0.0000 C   0  0
   10.2956   -3.3801    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 15  1  0
 15 20  1  0
 20 21  3  0
  7 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25788

> <plate>
PLATE 003

> <well>
C11

> <supplier_cmpd_name>
Apatinib mesylate

> <ctcr_id>
4550

> <supplier_cmpd_id>
.

> <smiles>
CS(=O)(=O)O.O=C(Nc1ccc(cc1)C2(CCCC2)C#N)c3cccnc3NCc4ccncc4

> <pd_targets>
{KDR,KIT,RET,CSK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Cs
k family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type IV RTKs: VEGF (vascular endothelial growth fa
ctor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Csk family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Developmental Biology","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Nervous system devel
opment","Signaling by VEGF","Signaling by KIT in disease","Axon guidance","Oncogenic MAPK signaling","VEGFA-VEGFR2 Pathway","Drug resistance of KIT mutants","RET signaling","Signaling by RAS mutants",
"VEGFR2 mediated cell proliferation","Dasatinib-resistant KIT mutants","Signaling downstream of RAS mutants"}

> <broad_targets>
{CSK,KDR,KIT,RET}

> <broad_moa>
{"RET tyrosine kinase inhibitor"}

> <synonyms>
{Apatinib,"Apatinib Mesylate",1218779-75-9,1218779759,"1218779 75 9","Rivoceranib mesylate",YN968D1,YN-968D1,"YN 968D1",UNII-TK02X14ASJ,UNIITK02X14ASJ,"UNII TK02X14ASJ",TK02X14ASJ,Apatinib?mesylate,"A
litan (TN)","Apatinib (YN968D1)","Apatinib - YN968D1","Apatinib  YN968D1","Apatinib   YN968D1","Rivoceranib mesylate (USAN)",cc-605,cc605,"cc 605",MLS006011286,CHEMB,T5153,T2582,S2221,"Apatinib mesyla
te"}

> <pdid>
PD057121

> <targets>
{VEGFR,c-RET}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{45139106}

$$$$
TargetMol_L9000_Apoptosis Compound Library
  SciTegic11012413012D

 29 28  0  0  0  0            999 V2000
   19.8221   -2.6314    0.0000 H   0  3
   17.3221   -2.6314    0.0000 H   0  3
   14.8221   -2.6314    0.0000 Cl  0  5
   12.3221   -2.6314    0.0000 Cl  0  5
    4.4165   -3.9867    0.0000 O   0  0
    4.8823   -2.5608    0.0000 C   0  0
    6.3509   -2.2515    0.0000 C   0  0
    7.3538   -3.3681    0.0000 N   0  0
    8.8221   -3.0611    0.0000 C   0  0
    9.8221   -4.1791    0.0000 C   0  0
    9.3539   -5.6042    0.0000 N   0  0
    7.8857   -5.9112    0.0000 C   0  0
    6.8856   -4.7932    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
   -2.5981    1.5000    0.0000 Br  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -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
   -0.8417   -6.7626    0.0000 Br  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
  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
  6 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
 19 21  1  0
 21 22  2  0
 22 16  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  2  0
 27 28  1  0
 28 29  2  0
 29 15  1  0
 29 23  1  0
M  CHG  4   1   1   2   1   3  -1   4  -1
M  END
> <name>
TargetMol_L9000_Apoptosis Compound Library

> <id>
25789

> <plate>
PLATE 003

> <well>
D2

> <supplier_cmpd_name>
BAI1

> <ctcr_id>
8353

> <supplier_cmpd_id>
.

> <smiles>
[H+].[H+].[Cl-].[Cl-].OC(CN1CCNCC1)Cn2c3ccc(Br)cc3c4cc(Br)ccc24

> <pd_targets>
{MAPT,TP53,FFP,MAPK1,RORC,ALOX15,CYP3A4,LEF,POL}

> <pathway_gtopdb>
{"Other cytosolic protein","Transcription factor",Enzyme,Transferase,Kinase,"Nuclear receptor",Oxidoreductase,"Cytochrome P450",Protease,"Protein Kinase","Nuclear hormone receptor subfamily 1","Cytoch
rome P450 family 3","Metallo protease","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Metallo protease MAE clan","CMGC protein kinase MAPK fami
ly","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Metallo protease M34 family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Eicosanoid turnover","Cytochrome P450","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphans",Lipoxy
genases,"CYP3 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Neuronal System","Cell Cycle","Immune System","Gene expression (Transcription)",Metabolism,Disease,"Transmission across Chemical Synapses","Cell Cycle Checkpoints","Innate Immune System","RNA Polyme
rase II Transcription","Metabolism of lipids","Infectious disease","Neurotransmitter receptors and postsynaptic signal transmission","G1/S DNA Damage Checkpoints","Toll-like Receptor Cascades","Generi
c Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Uptake and actions of bacterial toxins","Activation of NMDA receptors and postsynaptic events","p53-Dependent G1/S
 DNA damage checkpoint","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","Biosynthesis of DHA-derived SPMs","Uptake and function of anthra
x toxins","Post NMDA receptor activation events","p53-Dependent G1 DNA Damage Response","MyD88 cascade initiated on plasma membrane","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis 
of DPAn-3 SPMs","Biosynthesis of maresins","Activation of AMPK downstream of NMDARs","Stabilization of p53","MAP kinase activation","Biosynthesis of DPAn-3-derived protectins and resolvins","Biosynthe
sis of maresin-like SPMs","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{BAX}

> <broad_moa>
{"cytochrome C release inhibitor"}

> <synonyms>
{"Bax Channel Blocker",335165-68-9,335165689,BAI1,329349-20-4,329349204,"1-(3,6-dibromocarbazol-9-yl)-3-piperazin-1-ylpropan-2-ol;dihydrochloride","1(3,6dibromocarbazol9yl)3piperazin1ylpropan2ol;dihyd
rochloride","Bax channel blocker(BAI-1)","Bax channel blocker(BAI1)","BAI1;BAI-1;BAI 1","BAI1;BAI1;BAI 1",CHEMBL1402326,SCHEMBL21085183,DTXSID90369557,BCP30816,AKOS0,T5210,2160,"Bax channel blocker"}

> <pdid>
PD003699

> <targets>
{Apoptosis,Bcl-2 Family}

> <classes>
{Apoptosis}

> <pubchem_cids>
{2729026}

$$$$
