Broad_2021
  SciTegic11012413022D

 32 34  0  0  0  0            999 V2000
   -2.8348  -14.2572    0.0000 C   0  0
   -1.8332  -13.1406    0.0000 C   0  0
   -2.2988  -11.7138    0.0000 C   0  0
   -1.2966  -10.5966    0.0000 C   0  0
   -1.7622   -9.1698    0.0000 C   0  0
   -0.7600   -8.0526    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 N   0  0
   -2.6947   -6.3191    0.0000 C   0  0
   -3.6957   -7.4374    0.0000 C   0  0
   -5.1648   -7.1307    0.0000 C   0  0
   -6.1657   -8.2490    0.0000 C   0  0
   -7.6349   -7.9423    0.0000 C   0  0
   -8.6352   -9.0600    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
    1.2443   -5.8182    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
    2.5536   -4.4230    0.0000 C   0  0
    1.9048   -5.7699    0.0000 C   0  0
    2.7505   -7.0088    0.0000 C   0  0
    4.2462   -6.8959    0.0000 C   0  0
    5.0918   -8.1349    0.0000 F   0  0
    4.8963   -5.5441    0.0000 C   0  0
    4.0507   -4.3052    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
  7 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 17  1  0
 25 20  1  0
 18 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 26  1  0
M  END
> <name>
Broad_2021

> <id>
33533

> <plate>
Plate_1

> <well>
A03

> <supplier_cmpd_name>
FGIN-1-27

> <ctcr_id>
8320

> <supplier_cmpd_id>
FGIN-1-27

> <smiles>
CCCCCCN(CCCCCC)C(=O)Cc1c([nH]c2ccccc12)c3ccc(F)cc3

> <pd_targets>
{TSHR,MAPT,ALDH1A1,BLM,TSPO,KMT2A,MEN1,HSD17B10,AMPC,HPGD,CHRM1,NPSR1,CYP2C19,THPO,KDM4E,PMP22,CYP2C9,CYP1A2,CYP3A4,HIF1A,MTOR}

> <pathway_gtopdb>
{"Membrane receptor","Other cytosolic protein",Enzyme,"Epigenetic regulator","Unclassified protein","Transcription factor","Family A G protein-coupled receptor",Oxidoreductase,Reader,Hydrolase,Proteas
e,"Cytochrome P450",Eraser,Kinase,"Peptide receptor (family A GPCR)",Bromodomain,"Small molecule receptor (family A GPCR)","Cysteine protease","Cytochrome P450 family 2","Lysine demethylase","Cytochro
me P450 family 1","Cytochrome P450 family 3","Protein Kinase","Glycohormone receptor","Monoamine receptor","Short peptide receptor (family A GPCR)","Cysteine protease CA clan","Cytochrome P450 family 
2C","Jumonji domain-containing","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Atypical protein kinase group","Acetylcholine receptor","Neuropeptide receptor","Cysteine protease C1A family",
"Cytochrome P450 2C19","Cytochrome P450 2C9","Cytochrome P450 1A1","Cytochrome P450 3A4","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,"Other protein targets",Enzymes,"G protein-coupled receptors","Mitochondrial-associated proteins","Eicosanoid turnover","Cytochrome P450","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)
","Glycoprotein hormone receptors","Prostaglandin synthases","Acetylcholine receptors (muscarinic)","Neuropeptide S receptor","CYP2 family: drug metabolising subset","1.14.11.- Histone demethylases","
CYP1 family","CYP3 family",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System",Metabolism,"DNA Repair","Signal Transduction",Hemostasis,"Developmental Biology","Cellular responses to external stimuli","Gene expression (Transcription)","Infectious disea
se","Transmission across Chemical Synapses","Biological oxidations","DNA Double-Strand Break Repair","Metabolism of lipids","Metabolism of amino acids and derivatives","Signaling by GPCR","Platelet ac
tivation","signaling and aggregation","Nervous system development","Cellular responses to stress","RNA Polymerase II Transcription","Leishmania infection","Neurotransmitter receptors and postsynaptic 
signal transmission","Phase I - Functionalization of compounds","Homology Directed Repair","Metabolism of steroids","Branched-chain amino acid catabolism","Biosynthesis of specialized proresolving med
iators (SPMs)","GPCR ligand binding","Platelet Aggregation (Plug Formation)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Cellular response to hypoxia","Generic Transcription Path
way","Leishmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)",
"Metabolism of steroid hormones","Biosynthesis of DHA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hyp
oxia-inducible Factor Alpha","Transcriptional Regulation by TP53","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","HDR through Homologous Re
combination (HRR)","Pregnenolone biosynthesis","Biosynthesis of D-series resolvins","Amine ligand-binding receptors",Xenobiotics,"Biosynthesis of maresins","Regulation of TP53 Activity","ADORA2B media
ted anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","Muscarinic acetylcholine receptors","CYP2E1 reactions","Aromatic ami
nes can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","Regulation of TP53 Expression and Degradation","Presynaptic phase of homologous DNA pairing and strand exchan
ge","Regulation of TP53 Degradation"}

> <broad_targets>
{TSPO}

> <broad_moa>
{"inositol monophosphatase inhibitor"}

> <synonyms>
{GIN12,FGIN-1-27,FGIN127,142720-24-9,142720249,"N,N-Dihexyl-2-(4-fluorophenyl)indole-3-acetamide","N,NDihexyl2(4fluorophenyl)indole3acetamide","Fgin 1-27","Fgin 127","2-(2-(4-fluorophenyl)-1H-indol-3-
yl)-N,N-dihexylacetamide","2(2(4fluorophenyl)1Hindol3yl)N,Ndihexylacetamide","1H-Indole-3-acetamide, 2-(4-fluorophenyl)-N,N-dihexyl-","1HIndole3acetamide, 2(4fluorophenyl)N,Ndihexyl",CHEMBL63154,"Fgin
 1 27",SR-01000075838,SR01000075838,N,0658}

> <pdid>
PD002740

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{132496}

$$$$
Broad_2021
  SciTegic11012413022D

 37 41  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 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
   -9.0866    3.7711    0.0000 N   0  0
   -9.0793    5.2719    0.0000 C   0  0
   -7.7764    6.0151    0.0000 O   0  0
  -10.3749    6.0295    0.0000 C   0  0
  -11.7592    6.1035    0.0000 C   0  0
  -11.0161    4.8004    0.0000 C   0  0
  -10.3671    7.5307    0.0000 C   0  0
   -9.0640    8.2735    0.0000 O   0  0
  -11.6625    8.2886    0.0000 N   0  0
  -11.6547    9.7894    0.0000 C   0  0
  -12.9483   10.5489    0.0000 C   0  0
  -12.9374   12.0489    0.0000 C   0  0
  -11.6330   12.7894    0.0000 C   0  0
  -11.6222   14.2894    0.0000 F   0  0
  -10.3394   12.0301    0.0000 C   0  0
  -10.3502   10.5301    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  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  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 18  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
 27 29  1  0
 29 30  2  0
 30 24  1  0
 14 31  1  0
 31 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>
Broad_2021

> <id>
33534

> <plate>
Plate_1

> <well>
B03

> <supplier_cmpd_name>
Cabozantinib

> <ctcr_id>
3519

> <supplier_cmpd_id>
Cabozantinib

> <smiles>
COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3)c2cc1OC

> <pd_targets>
{MST1R,MET,KDR,RET,KIT,FLT3,TEK,EGFR,FLT1,AXL,SRC,FGFR1,AURKA,FLT4,KIF5B,CCDC6}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","Tyrosine protein kinase Met family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Ret family",
"Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Tie family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Src family","Tyrosine pr
otein kinase FGFR family","Other protein kinase AUR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Other protein kinases","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Aurora kinase (Aur) family
","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XIV RTKs: RET","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 rec
eptor family","Type XII RTKs: TIE family of angiopoietin receptors","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Src fa
mily","Type V RTKs: FGF (fibroblast growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology",Disease,"Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","Nervous system development","Diseases of signal transduction by growt
h factor receptors and second messengers","MAPK family signaling cascades","Signaling by GPCR","RNA Polymerase II Transcription","Signaling by MST1","Axon guidance","Signaling by VEGF","Signaling by K
IT in disease","Signaling by Insulin receptor","MAPK1/MAPK3 signaling","GPCR downstream signalling","Signaling by NTRKs","Signaling by FGFR in disease","Generic Transcription Pathway","Semaphorin inte
ractions","VEGFA-VEGFR2 Pathway","RET signaling","Drug resistance of KIT mutants","Insulin receptor signalling cascade","RAF/MAP kinase cascade","G alpha (q) signalling events","VEGF ligand-receptor i
nteractions","Signaling by NTRK1 (TRKA)","Signaling by FGFR1 in disease","Transcriptional Regulation by TP53","Sema4D in semaphorin signaling","VEGFR2 mediated cell proliferation","Dasatinib-resistant
 KIT mutants","IRS-mediated signalling","Gastrin-CREB signalling pathway via PKC and MAPK","VEGF binds to VEGFR leading to receptor dimerization","Signalling to ERKs","FGFR1 mutant receptor activation
","Regulation of TP53 Activity","Sema4D mediated inhibition of cell attachment and migration","PI3K Cascade","EGFR Transactivation by Gastrin","Signalling to RAS","Signaling by activated point mutants
 of FGFR1","Regulation of TP53 Activity through Phosphorylation","p38MAPK events"}

> <broad_targets>
{KDR,MET,RET}

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

> <synonyms>
{SB20062,Cabozantinib,849217-68-1,849217681,Cometriq,XL184,XL-184,BMS-907351,BMS907351,"XL 184","BMS 907351","Cabozantinib (XL184, BMS-907351)","Cabozantinib (XL184, BMS907351)",UNII-1C39JW444G,UNII1C
39JW444G,CHEBI:72317,"XL-184 free base","XL184 free base",1C39JW444G,MFCD20926324,"Cabometyx (TN)","Cometriq (TN)",Cabo,T2586,T5164,761068,S1119,"Cabozantinib hydrochloride (849217-68-1(free base))",c
abozantinib}

> <pdid>
PD003215

> <targets>
{VEGFR,c-Kit,Tie-2,Axl,FLT3,c-Met,Apoptosis,c-Met/HGFR,TAM Receptor}

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

> <pubchem_cids>
{25102847}

$$$$
Broad_2021
  SciTegic11012413022D

 22 25  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.3253    1.1905    0.0000 N   0  0
   -6.1992   -0.0286    0.0000 C   0  0
   -5.3098   -1.2365    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -4.0409   -2.2431    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.8043    2.6128    0.0000 C   0  0
   -4.8986    3.8026    0.0000 C   0  0
   -5.4788    5.1858    0.0000 C   0  0
   -6.9669    5.3750    0.0000 C   0  0
   -7.8747    4.1809    0.0000 C   0  0
   -7.2945    2.7977    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  7  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15  5  1  0
 15 16  2  0
 16  2  1  0
  8 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  END
> <name>
Broad_2021

> <id>
33535

> <plate>
Plate_1

> <well>
C03

> <supplier_cmpd_name>
(+/-)-Blebbistatin

> <ctcr_id>
6559

> <supplier_cmpd_id>
(+/-)-Blebbistatin

> <smiles>
Cc1ccc2N=C3N(CCC3(O)C(=O)c2c1)c4ccccc4

> <pd_targets>
{KMT2A,MEN1,CYP3A4,CYP2C9,CYP2D6,CYP2C19,MAPT,RORC,CYP1A2}

> <pathway_gtopdb>
{"Epigenetic regulator",Reader,Bromodomain,Enzyme,"Other cytosolic protein","Transcription factor","Cytochrome P450","Nuclear receptor","Cytochrome P450 family 3","Cytochrome P450 family 2","Nuclear h
ormone receptor subfamily 1","Cytochrome P450 family 1","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Nuclear hormone receptor subfamily 1 group F","Cytochrome P
450 family 1A","Cytochrome P450 3A4","Cytochrome P450 2C9","Cytochrome P450 2D6","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 1A1"}

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

> <pathway_reactome>
{Metabolism,"Neuronal System","Gene expression (Transcription)","Metabolism of lipids","Biological oxidations","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Biosynthesis o
f specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Biosynthesis 
of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Biosynthesis of maresins",Xenobiotics,
"Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Activation of AMPK downstream of NMDARs","Aromatic a
mines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
{}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{)BLEBBISTATI,KBio3_000388,KBio3000388,KBio3-000388,"KBio3 000388",Bio1_000341,Bio1000341,Bio1-000341,"Bio1 000341",Blebbistatin,(+/-)-Blebbistatin,(+/)Blebbistatin,674289-55-5,674289555,CHEBI:75379,"
3a-hydroxy-6-methyl-1-phenyl-2,3-dihydropyrrolo(2,3-b)quinolin-4-one","3ahydroxy6methyl1phenyl2,3dihydropyrrolo(2,3b)quinolin4one",CHEMBL1328324,1-Phenyl-1,1Phenyl1,2,3,4-tetrahydro-4-hydroxypyrrolo(2
.3-b)-7-methylquinolin-4-,4tetrahydro4hydroxypyrrolo(2.3b)7methylquinolin4,T6038,1760,S7099,(-)-Blebbistatin}

> <pdid>
PD003595

> <targets>
{ATPase,Myosin}

> <classes>
{Transmembrane Transporters,Cytoskeleton}

> <pubchem_cids>
{3476986}

$$$$
Broad_2021
  SciTegic11012413022D

 37 41  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
   -2.7248    1.2135    0.0000 C   0  0
   -3.1882    2.6401    0.0000 O   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -5.1047   -0.0031    0.0000 C   0  0
   -5.8532   -1.3040    0.0000 C   0  0
   -7.3532   -1.3071    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1884   -2.6409    0.0000 C   0  0
   -4.6234   -3.0602    0.0000 C   0  0
   -4.9781   -4.5176    0.0000 C   0  0
   -3.8933   -5.5536    0.0000 C   0  0
   -2.4537   -5.1320    0.0000 C   0  0
   -2.0990   -3.6745    0.0000 N   0  0
   -1.3683   -6.1685    0.0000 C   0  0
    0.0711   -5.7465    0.0000 C   0  0
   -0.2829   -7.2039    0.0000 C   0  0
   -1.7220   -7.6262    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
  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  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 19 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  1  0
 30 32  1  0
 30 33  1  0
 23 34  1  0
 34 16  1  0
 34 35  2  0
 35 13  1  0
 11 36  1  0
 36 37  2  0
 37  8  1  0
M  END
> <name>
Broad_2021

> <id>
33536

> <plate>
Plate_1

> <well>
D03

> <supplier_cmpd_name>
Adavosertib

> <ctcr_id>
4322

> <supplier_cmpd_id>
Adavosertib

> <smiles>
CN1CCN(CC1)c2ccc(Nc3ncc4C(=O)N(CC=C)N(c5cccc(n5)C(C)(C)O)c4n3)cc2

> <pd_targets>
{MAP4K4,CDK5,WNK3,CLK4,TYRO3,JAK3,WEE2,JAK2,PLK1,PKMYT1,WEE1,TBK1,PRKCQ,IKBKE,ABL1,LCK,CSNK1A1,NEK2,TNK2,PRKD3,LRRK2,SYK,TAOK1,PTK2,PAK4,FYN,MAP4K5}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","STE protein kinase group","CMGC protein kinase group","Other protein kinase group","TK protein kinase group","AGC protein kinase group","CK1 protein kinase group","CAM
K protein kinase group","TKL protein kinase group","STE protein kinase STE20 family","CMGC protein kinase CDK family","Other protein kinase Wnk family","CMGC protein kinase CLK family","Tyrosine prote
in kinase Axl family","Tyrosine protein kinase JakA family","Other protein kinase WEE family","Other protein kinase PLK family","Other protein kinase IKK family","AGC protein kinase PKC family","Tyros
ine protein kinase Abl family","Tyrosine protein kinase Src family","CK1 protein kinase CK1 family","Other protein kinase NEK family","Tyrosine protein kinase Ack family","CAMK protein kinase PKD fami
ly","TKL protein kinase LRRK family","Tyrosine protein kinase Syk family","Tyrosine protein kinase Fak family","STE protein kinase MSN subfamily","CMGC protein kinase CDK5 subfamily","Other protein ki
nase WEE1","AGC protein kinase PKC delta subfamily","STE protein kinase TAO subfamily","STE protein kinase PAKB subfamily","Tyrosine protein kinase SrcA","STE protein kinase KHS subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases",
"AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase 1","CAMK: Calcium/calmodulin-dependent protein kinases","STE20 family","Cyclin-dependent kinase (CDK) family","Other protein kinases","CLK 
family","TK: Tyrosine kinase","Protein kinase C (PKC) family","Casein kinase 1 (CK1) family","Protein kinase D (PKD) family","TKL: Tyrosine kinase-like","MSN subfamily","CDK5 subfamily","Wnk family","
Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","WEE family","Polo-like kinase (PLK) family","IKK family","Delta subfamily","NIMA (never in mitosis gene a)- related kinase (N
EK) family","Leucine-rich repeat kinase (LRRK) family","TAO subfamily","PAKB subfamily","KHS subfamily","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Janus kinase (JakA) family","Abl
 family","Src family","Ack family","Syk family","Fak family"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Gene expression (Transcription)","Transport of small molecules","Immune System","Cell Cycle","Signal Transduction",Disease,Metabolism,"Developmental Biology"
,"Cellular responses to stress","RNA Polymerase II Transcription","Ion channel transport","Cytokine Signaling in Immune system",Mitotic,"Cell Cycle Checkpoints","Innate Immune System","Signaling by GP
CR","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","Signaling by Non-Receptor Tyrosine Kinases","Nervous system developm
ent","Cellular Senescence","Generic Transcription Pathway","Stimuli-sensing channels","Signaling by Interleukins","Mitotic G1 phase and G1/S transition","Mitotic G2-G2/M phases","G2/M Checkpoints","To
ll-like Receptor Cascades","GPCR downstream signalling","Leishmania infection","HIV Infection","Signaling by WNT in cancer","Regulation of mitotic cell cycle","Sphingolipid metabolism","Signaling by P
TK6","M Phase","Axon guidance","Oxidative Stress Induced Senescence","Transcriptional Regulation by TP53","Interleukin-2 family signaling","G1 Phase","G2/M Transition","G2/M DNA damage checkpoint","To
ll Like Receptor 4 (TLR4) Cascade","G alpha (i) signalling events","Parasite infection","Host Interactions of HIV factors","Signaling by AMER1 mutants","APC/C-mediated degradation of cell cycle protei
ns","Sphingolipid de novo biosynthesis","PTK6 promotes HIF1A stabilization","Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","Signaling by ROBO receptors","Regulation of TP53
 Activity","Interleukin-15 signaling","Cyclin D associated events in G1","Centrosome maturation","Cyclin A/B1/B2 associated events during G2/M transition","Chk1/Chk2(Cds1) mediated inactivation of Cyc
lin B:Cdk1 complex","MyD88-independent TLR4 cascade","Visual phototransduction","Leishmania phagocytosis","The role of Nef in HIV-1 replication and disease pathogenesis","Truncations of AMER1 destabil
ize the destruction complex","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Anti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","Act
ivation of RAC1","Regulation of TP53 Activity through Phosphorylation","Loss of proteins required for interphase microtubule organization from the centrosome","TRIF(TICAM1)-mediated TLR4 signaling","T
he phototransduction cascade","FCGR3A-mediated phagocytosis","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","APC/C:Cdc20 mediated degradation of mitot
ic proteins","FCGR3A-mediated IL10 synthesis","Separation of Sister Chromatids","Nef and signal transduction","Loss of Nlp from mitotic centrosomes","Activation of IRF3/IRF7 mediated by TBK1/IKK epsil
on",Inactivation,"recovery and regulation of the phototransduction cascade","Nef Mediated CD4 Down-regulation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell c
ycle checkpoint","APC-Cdc20 mediated degradation of Nek2A"}

> <broad_targets>
{WEE1}

> <broad_moa>
{"WEE1 kinase inhibitor"}

> <synonyms>
{MK-1775,MK1775,955365-80-7,955365807,Adavosertib,"MK 1775",AZD1775,"AZD 1775",AZD-1775,UNII-K2T6HJX3I3,UNIIK2T6HJX3I3,K2T6HJX3I3,8X7,"Adavosertib (USAN)",Kinome_2656,Kinome2656,Kinome-2656,"Kinome 26
56",cc-686,cc686,MLS006011025,GTPL7702,QCR-46,QCR46,SCHEMBL1504444,CHEMBL1976040,CHEBI:91414,DTXSID30241868,EX-A331,EXA331,C27H32N8,T2077,1494,S1525}

> <pdid>
PD003224

> <targets>
{Wee1}

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

> <pubchem_cids>
{24856436}

$$$$
Broad_2021
  SciTegic11012413022D

 30 35  0  0  0  0            999 V2000
    7.7931   -3.0140    0.0000 O   0  0
    6.4915   -3.7597    0.0000 C   0  0
    6.4870   -5.2597    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 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
   -4.9130   -0.2410    0.0000 C   0  0
   -4.3050    1.1346    0.0000 C   0  0
   -5.4954    2.1126    0.0000 C   0  0
   -5.7903    3.6605    0.0000 C   0  0
   -4.4778    4.3624    0.0000 C   0  0
   -3.3416    3.4052    0.0000 C   0  0
   -3.0066    1.8482    0.0000 C   0  0
   -3.9597    2.1327    0.0000 C   0  0
   -6.2627    2.3632    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  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 13  1  0
 19 20  2  0
 20 10  1  0
 15 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 23  1  0
 27 29  1  0
 29 21  1  0
 25 30  1  0
 30 21  1  0
M  END
> <name>
Broad_2021

> <id>
33537

> <plate>
Plate_1

> <well>
E03

> <supplier_cmpd_name>
CD 1530

> <ctcr_id>
8344

> <supplier_cmpd_id>
CD 1530

> <smiles>
OC(=O)c1ccc(cc1)c2ccc3cc(c(O)cc3c2)[C]45CC6[CH2][CH](C[CH]([CH2]6)C4)C5

> <pd_targets>
{KMT2A,MEN1,THRB,RORC,RECQL,FFP}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor",Enzyme,Reader,"Nuclear receptor",Transferase,Bromodomain,"Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group A","Nuclear h
ormone 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>
{Receptors,"Nuclear hormone receptors","1A. Thyroid hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)","Post-translational protein modification","RNA Polymerase II Transcription",SUMOylation,"Generic Transcription Pathway","SUMO E3 ligases SUM
Oylate target proteins","Transcriptional regulation by RUNX3","SUMOylation of intracellular receptors","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{RARG}

> <broad_moa>
{"retinoid receptor agonist"}

> <synonyms>
{"4-(6-(1-adamantyl)-7-hydroxy-2-naphthalenyl)benzoic acid","4(6(1adamantyl)7hydroxy2naphthalenyl)benzoic acid","4 (6 (1 adamantyl) 7 hydroxy 2 naphthalenyl)benzoic acid",CHEMBL1434137,CHEBI:95006,HMS
3269B05,HMS3413H03,HMS3677H03,ZINC13831230,2554,"CD 1530"}

> <pdid>
PD003486

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{24868309}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33538

> <plate>
Plate_1

> <well>
F03

> <supplier_cmpd_name>
Necrostatin-1

> <ctcr_id>
2539

> <supplier_cmpd_id>
Necrostatin-1

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 26 29  0  0  0  0            999 V2000
    7.5955    2.7333    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    4.2568    0.5878    0.0000 C   0  0
    5.7171    0.9385    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    4.8082   -4.6653    0.0000 C   0  0
    6.2996   -4.8254    0.0000 C   0  0
    3.9242   -5.8772    0.0000 C   0  0
    5.4155   -6.0369    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  8  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 16  1  0
 21 22  2  0
 22 13  1  0
 10 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
M  END
> <name>
Broad_2021

> <id>
33539

> <plate>
Plate_1

> <well>
G03

> <supplier_cmpd_name>
SB 525334

> <ctcr_id>
5800

> <supplier_cmpd_id>
SB 525334

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

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

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

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

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

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD003675

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

> <classes>
{TGF-beta/Smad}

> <pubchem_cids>
{9967941}

$$$$
Broad_2021
  SciTegic11012413022D

 23 22  0  0  0  0            999 V2000
    7.6943   -2.2615    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6982    0.7323    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1887   -6.0105    0.0000 O   0  0
    5.1937   -3.0093    0.0000 N   0  0
    2.5684   -4.5221    0.0000 C   0  0
    2.5677   -6.0221    0.0000 O   0  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
  2 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 18 22  1  0
 22 23  1  0
M  END
> <name>
Broad_2021

> <id>
33540

> <plate>
Plate_1

> <well>
H03

> <supplier_cmpd_name>
Fingolimod (hydrochloride)

> <ctcr_id>
11198

> <supplier_cmpd_id>
Fingolimod (hydrochloride)

> <smiles>
Cl.c1(ccc(cc1)CCCCCCCC)CCC(CO)(N)CO

> <pd_targets>
{S1PR3,TRPM7,S1PR5,S1PR1,S1PR4,SGPL1,S1PR2,KCNJ5,HDAC1}

> <pathway_gtopdb>
{"Membrane receptor","Ion channel",Enzyme,"Epigenetic regulator","Family A G protein-coupled receptor","Voltage-gated ion channel",Lyase,Eraser,"Small molecule receptor (family A GPCR)","Transient rec
eptor potential channel","Potassium channels","Histone deacetylase","Lipid-like ligand receptor (family A GPCR)","Inwardly rectifying potassium channel","HDAC class I","EDG receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Sphingosine 1-phosphate turnover","Voltage-gated ion channels","Chromatin modifying enzymes","Lysophospholipid (
S1P) receptors",Atypical,"Sphingosine 1-phosphate lyase","Potassium channels","3.5.1.- Histone deacetylases (HDACs)","Alpha kinase family","Inwardly rectifying potassium channels","ChaK subfamily"}

> <pathway_reactome>
{"Signal Transduction","Transport of small molecules",Metabolism,"Neuronal System",Disease,"Signaling by GPCR","Ion channel transport","Metabolism of lipids","Transmission across Chemical Synapses","D
isorders of Developmental Biology","GPCR ligand binding","Stimuli-sensing channels","Sphingolipid metabolism","Neurotransmitter receptors and postsynaptic signal transmission","Disorders of Nervous Sy
stem Development","Class A/1 (Rhodopsin-like receptors)","TRP channels","Sphingolipid de novo biosynthesis","GABA receptor activation","Pervasive developmental disorders","Lysosphingolipid and LPA rec
eptors","GABA B receptor activation","Loss of function of MECP2 in Rett syndrome","Activation of GABAB receptors","Loss of MECP2 binding ability to 5mC-DNA","Inhibition  of voltage gated Ca2+ channels
 via Gbeta/gamma subunits"}

> <broad_targets>
{S1PR1,S1PR5}

> <broad_moa>
{immunosuppressant,"sphingosine 1-phosphate receptor agonist"}

> <synonyms>
{"Fingolimod hydrochloride",162359-56-0,162359560,FTY720,"Fingolimod HCl",Gilenya,Gilenia,"Fty 720",Fty-720,Fty720,"Fingolimod (hydrochloride)","Fingolimod (FTY720) HCl","2-Amino-2-(4-octylphenethyl)p
ropane-1,3-diol hydrochloride","2Amino2(4octylphenethyl)propane1,3diol hydrochloride",2-Amino-2-(2-(,2Amino2(2(,T2539}

> <pdid>
PD003633

> <targets>
{S1P}

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

> <pubchem_cids>
{107969}

$$$$
Broad_2021
  SciTegic11012413022D

 38 40  0  0  1  0            999 V2000
   -0.9802  -19.9712    0.0000 C   0  0
   -1.4414  -18.5439    0.0000 C   0  0
   -2.9088  -18.2285    0.0000 C   0  0
   -3.9126  -19.3431    0.0000 C   0  0
   -5.3798  -19.0310    0.0000 C   0  0
   -5.8431  -17.6043    0.0000 C   0  0
   -4.8392  -16.4898    0.0000 C   0  0
   -3.3720  -16.8018    0.0000 C   0  0
   -2.3698  -15.6846    0.0000 N   0  0
   -2.8354  -14.2578    0.0000 C   0  0
   -4.3031  -13.9482    0.0000 O   0  0
   -1.8332  -13.1406    0.0000 C   0  0
   -2.2988  -11.7138    0.0000 S   0  0
   -1.2966  -10.5966    0.0000 C   0  0
    0.1711  -10.9062    0.0000 O   0  0
   -1.7622   -9.1698    0.0000 N   0  0
   -0.7600   -8.0526    0.0000 N   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -2.6933   -6.3162    0.0000 O   0  0
   -0.2234   -5.5086    0.0000 C   0  0  2  0  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
    1.2445   -5.8214    0.0000 N   0  0
    1.7084   -7.2487    0.0000 C   0  0
    0.7045   -8.3632    0.0000 O   0  0
    3.1763   -7.5614    0.0000 O   0  0
    3.6403   -8.9887    0.0000 C   0  0
    5.1073   -9.3013    0.0000 C   0  0
    2.6364  -10.1033    0.0000 C   0  0
    4.1033  -10.4155    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  6
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 22  1  0
 30 25  1  0
 20 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 35 38  1  0
M  END
> <name>
Broad_2021

> <id>
33541

> <plate>
Plate_1

> <well>
I03

> <supplier_cmpd_name>
SID 26681509

> <ctcr_id>
8335

> <supplier_cmpd_id>
SID 26681509

> <smiles>
CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C

> <pd_targets>
{CTSL}

> <pathway_gtopdb>
{Enzyme,Protease,"Cysteine protease","Cysteine protease CA clan","Cysteine protease C1A family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","CA: Cysteine (C) Peptidases","C1: Papain"}

> <pathway_reactome>
{Disease,"Infectious disease","SARS-CoV Infections","SARS-CoV-1 Infection","Attachment and Entry"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"SID 26681509",CHEMBL259450,958772-66-2,958772662,CHEBI:167893,BDBM50374666,ZINC29050413,AKOS024457720,SID26681509,HY-103353,HY103353,CS-0027706,CS0027706,PC-0626568,PC0626568,3625,"SID 2668150"}

> <pdid>
PD003550

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{16725315}

$$$$
Broad_2021
  SciTegic11012413022D

 23 25  0  0  0  0            999 V2000
    7.7732   -3.9365    0.0000 C   0  0
    6.3476   -4.4031    0.0000 N   0  0
    6.0394   -5.8711    0.0000 C   0  0
    5.2295   -3.4020    0.0000 C   0  0
    5.5377   -1.9340    0.0000 O   0  0
    3.8056   -3.8679    0.0000 N   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 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  6  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
M  END
> <name>
Broad_2021

> <id>
33542

> <plate>
Plate_1

> <well>
J03

> <supplier_cmpd_name>
LY2183240

> <ctcr_id>
8343

> <supplier_cmpd_id>
LY2183240

> <smiles>
CN(C)C(=O)n1nnnc1Cc2ccc(cc2)c3ccccc3

> <pd_targets>
{FAAH,NCEH1,MGLL,ABHD6,ALDH1A1,TRPA1}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Hydrolase,Oxidoreductase,"Voltage-gated ion channel","Transient receptor potential channel"}

> <pathway_chembl>
{Enzymes,"Ion channels","Endocannabinoid turnover","Peptidases and proteinases","Voltage-gated ion channels","<i>N</i>-Acylethanolamine turnover","SC: Serine (S) Peptidases","2-Acylglycerol ester turn
over","Transient Receptor Potential channels","S33: Prolyl aminopeptidase"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules",Hemostasis,"Metabolism of lipids","Plasma lipoprotein assembly",remodeling,"and clearance","Platelet activation","signaling and aggregation","Biological oxid
ations","Ion channel transport","Fatty acid metabolism","Plasma lipoprotein clearance","Phospholipid metabolism","Effects of PIP2 hydrolysis","Phase I - Functionalization of compounds","Stimuli-sensin
g channels","Arachidonic acid metabolism","LDL clearance","Glycerophospholipid biosynthesis","Arachidonate production from DAG","Ethanol oxidation","TRP channels","Acyl chain remodeling of DAG and TAG
"}

> <broad_targets>
{FAAH}

> <broad_moa>
{"FAAH inhibitor","FAAH reuptake inhibitor"}

> <synonyms>
{LY2183240,874902-19-9,874902199,LY-2183240,"LY 2183240",UNII-2WBU91OKM7,UNII2WBU91OKM7,2WBU91OKM7,CHEMBL509860,"5-Biphenyl-4-ylmethyl-tetrazole-1-carboxylic acid dimethylamide","5Biphenyl4ylmethyltet
razole1carboxylic acid dimethylamide","5-((1,1'-Biphenyl)-4-ylmethyl)-N,N-dimethyl-1H-tetrazole-1-carboxamide","5((1,1'Biphenyl)4ylmethyl)N,Ndimethyl1Htetrazole1carboxamide",N,N-dimethyl-5-((4-,Ndimet
hyl5((4,2452}

> <pdid>
PD003673

> <targets>
{Autophagy,FAAH}

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

> <pubchem_cids>
{11507802}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33543

> <plate>
Plate_1

> <well>
K03

> <supplier_cmpd_name>
YK 4-279

> <ctcr_id>
8348

> <supplier_cmpd_id>
YK 4-279

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 22 24  0  0  0  0            999 V2000
    2.5876   -5.9994    0.0000 C   0  0
    3.8889   -5.2533    0.0000 O   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
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    2.5981    1.5000    0.0000 S   0  0
    3.8991   -0.7525    0.0000 C   0  0
    3.9015    0.7475    0.0000 Cl  0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    6.4924   -3.7566    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15  6  1  0
 15 16  2  0
  7 17  1  0
  5 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
M  END
> <name>
Broad_2021

> <id>
33544

> <plate>
Plate_1

> <well>
L03

> <supplier_cmpd_name>
Mdivi-1

> <ctcr_id>
4272

> <supplier_cmpd_id>
Mdivi-1

> <smiles>
COc1cc(N2C(=Nc3ccccc3C2=O)S)c(Cl)cc1Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Mdivi-1,Mdivi1,338967-87-6,338967876,"Mdivi 1","3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanyl-4(3H)-quinazolinone","3(2,4dichloro5methoxyphenyl)2sulfanyl4(3H)quinazolinone","3-(2,4-Dichloro-5-methoxyph
enyl)-2,3-dihydro-2-thioxo-4(1H)-quinazolinone","3(2,4Dichloro5methoxyphenyl)2,3dihydro2thioxo4(1H)quinazolinone","3-(2,4-dichloro-5-methoxyphenyl)-2-sulfanylidene-1H-quinazolin-4-one","3(2,4dichloro5
methoxyphenyl)2sulfanylidene1Hquinazolin4one",C15H10,3982,S7162}

> <pdid>

> <targets>
{Dynamin}

> <classes>
{"Cytoskeletal Signaling"}

> <pubchem_cids>
{3825829}

$$$$
Broad_2021
  SciTegic11012413022D

 19 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
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1882   -2.6402    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.0972    0.1560    0.0000 N   0  0
   -5.7073    1.5264    0.0000 C   0  0
   -7.1999    1.6832    0.0000 C   0  0
   -8.6917    1.8400    0.0000 N   0  0
   -4.8257    2.7399    0.0000 C   0  0
   -3.3339    2.5831    0.0000 N   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -5.4361    4.1109    0.0000 C   0  0
   -6.0462    5.4813    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  3  0
 12 15  2  0
 15 16  1  0
 16 17  2  0
 17  5  1  0
 17 10  1  0
 15 18  1  0
 18 19  3  0
M  END
> <name>
Broad_2021

> <id>
33545

> <plate>
Plate_1

> <well>
M03

> <supplier_cmpd_name>
HBX 41108

> <ctcr_id>
8323

> <supplier_cmpd_id>
HBX 41108

> <smiles>
Clc1ccc2c(c1)C(=O)c3nc(C#N)c(nc23)C#N

> <pd_targets>
{USP7,USP8}

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

> <pathway_chembl>
{}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Generic Transcription Pathway","Signaling by ERBB2","Transcriptiona
l Regulation by TP53","Downregulation of ERBB2 signaling","Regulation of TP53 Activity","Downregulation of ERBB2:ERBB3 signaling","Regulation of TP53 Expression and Degradation","Regulation of TP53 De
gradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"7-Chloro-9-oxo-9H-indeno(1,2-b)pyrazine-2,3-dicarbonitrile","7Chloro9oxo9Hindeno(1,2b)pyrazine2,3dicarbonitrile","HBX 41108",HBX-41108,HBX41108,924296-39-9,924296399,"7-Chloro-9-oxo-9H-indeno(1,2-b)
-pyrazine-2,3-dicarbonitrile",CHEMBL2398212,"9H-Indeno(1,2-b)pyrazine-2,3-dicarbonitrile, 7-chloro-9-oxo-","9HIndeno(1,2b)pyrazine2,3dicarbonitrile, 7chloro9oxo",C13H3ClN4,4285}

> <pdid>
PD003439

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{16065773}

$$$$
Broad_2021
  SciTegic11012413022D

 27 29  0  0  0  0            999 V2000
    7.0503  -11.0244    0.0000 C   0  0
    5.5827  -10.7143    0.0000 C   0  0
    5.1163   -9.2878    0.0000 C   0  0
    3.6479   -8.9775    0.0000 S   0  0
    2.6459  -10.0938    0.0000 O   0  0
    4.1134  -10.4035    0.0000 O   0  0
    3.1815   -7.5510    0.0000 N   0  0
    1.7131   -7.2408    0.0000 C   0  0
    0.7130   -8.3588    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -2.6917   -6.3197    0.0000 F   0  0
   -0.2234   -5.5086    0.0000 C   0  0
    1.2449   -5.8157    0.0000 C   0  0
    2.2449   -4.6977    0.0000 F   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  2  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
 14 15  1  0
 13 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 18  1  0
 27 21  1  0
M  END
> <name>
Broad_2021

> <id>
33546

> <plate>
Plate_1

> <well>
N03

> <supplier_cmpd_name>
PLX-4720

> <ctcr_id>
2026

> <supplier_cmpd_id>
PLX-4720

> <smiles>
CCC[S](=O)(=O)Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(Cl)cc23

> <pd_targets>
{FRK,ABL1,HIPK3,SLK,TNIK,FGFR1,SRMS,STK16,MINK1,DDR1,FLT1,KDR,LIMK1,AURKC,FES,BRAF,FYN,RAF1,KIT,EIF2AK4,NEK2,DDR2,MYLK4,ACVR2B,CAMK1,LCK,LIMK2,ABL2,PLK4,LYN,TGFBR2,CLK2,PTK6,AURKA,PTK2,OXSR1,MAP2K5,CS
F1R,PI4KB,CDK19,STK36,FGFR2,BMPR1B,PDGFRB,MAP2K4,FLT3,EPHB6,DCLK1,RIPK1,SIK1,HIPK4,MAP2K1,TNK2,CSNK1G2,PDGFRA,CLK1,FGR,SRC,YES1,SIK2,DYRK2,CSK,CDPK1,MAP3K20,HIPK1,RIOK2,HIPK2,SGK3,CDK8,AURKB,MAP2K2,TE
SK1,DCLK3,BLK,RIPK2,NEK11,PIR,PAK1,MAP4K5,MAP4K4,HCK}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,Transferase,Oxidoreductase,"Protein Kinase","TK protein kinase group","CMGC protein kinase group","STE protein kinase group","Other protein kinase group","TKL pro
tein kinase group","CAMK protein kinase group","CK1 protein kinase group","Atypical protein kinase group","AGC protein kinase group","Tyrosine protein kinase Src family","Tyrosine protein kinase Abl f
amily","CMGC protein kinase DYRK family","STE protein kinase STE20 family","Tyrosine protein kinase FGFR family","Other protein kinase NAK family","Tyrosine protein kinase DDR family","Tyrosine protei
n kinase VEGFR family","TKL protein kinase LISK family","Other protein kinase AUR family","Tyrosine protein kinase Fer family","TKL protein kinase RAF family","Tyrosine protein kinase PDGFR family","O
ther protein kinase PEK family","Other protein kinase NEK family","CAMK protein kinase MLCK family","TKL protein kinase STKR family","CAMK protein kinase CAMK1 family","Other protein kinase PLK family
","CMGC protein kinase CLK family","Tyrosine protein kinase Fak family","STE protein kinase STE7 family","CMGC protein kinase CDK family","Other protein kinase ULK family","CAMK protein kinase DCAMK1 
family","TKL protein kinase RIPK family","Tyrosine protein kinase Ack family","CK1 protein kinase CK1 family","Tyrosine protein kinase Csk family","TKL protein kinase MLK family","Atypical protein kin
ase RIO family","AGC protein kinase SGK family","CMGC protein kinase HIPK subfamily","STE protein kinase SLK subfamily","STE protein kinase MSN subfamily","Tyrosine protein kinase Srm","TKL protein ki
nase LIMK subfamily","Tyrosine protein kinase SrcA","Other protein kinase GCN2 subfamily","TKL protein kinase STKR Type 2 subfamily","STE protein kinase FRAY subfamily","CMGC protein kinase CDK8 subfa
mily","TKL protein kinase STKR Type 1 subfamily","CAMK protein kinase QIK subfamily","CMGC protein kinase Dyrk2 subfamily","TKL protein kinase MLK subfamily","Atypical protein kinase RIO2 subfamily","
TKL protein kinase TESK subfamily","Other protein kinase Nek11","STE protein kinase PAKA subfamily","STE protein kinase KHS subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",
"CAMK: Calcium/calmodulin-dependent protein kinases","Lipid modifying kinases","CK1: Casein kinase 1",Atypical,"AGC: Containing PKA",PKG,"PKC families","TK: Tyrosine kinase","Dual-specificity tyrosine
-(Y)-phosphorylation regulated kinase (DYRK) family","STE20 family","Other protein kinases","TKL: Tyrosine kinase-like","Myosin Light Chain Kinase (MLCK) family","CAMK1 family","CLK family","STE7 fami
ly","1-phosphatidylinositol 4-kinase family","Cyclin-dependent kinase (CDK) family","DCAMKL family","CAMK-like (CAMKL) family","Casein kinase 1 (CK1) family","RIO family","SGK family","Non-receptor ty
rosine kinases (nRTKs)","HIPK subfamily","SLK subfamily","MSN subfamily","Receptor tyrosine kinases (RTKs)","NAK family","LIM domain kinase (LISK) family","Aurora kinase (Aur) family","RAF family","PE
K family","NIMA (never in mitosis gene a)- related kinase (NEK) family","Receptor serine/threonine kinase (RSTK) family","Polo-like kinase (PLK) family","FRAY subfamily","CDK8 subfamily","Unc-51-like 
kinase (ULK) family","Receptor interacting protein kinase (RIPK) family","QIK subfamily","Dyrk2 subfamily","Mixed Lineage Kinase (MLK) family","RIO2 subfamily","PAKA subfamily","KHS subfamily","Src fa
mily","Abl family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type XVI RTKs: DDR (collagen receptor) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor famil
y","LIMK subfamily","Fer family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","GCN2 subfamily","Type II receptor serine/threonine kinases","Fak family","Type I receptor serine/threonine kina
ses","Type XIII RTKs: Ephrin receptor family","Ack family","Csk family","MLK subfamily","TESK subfamily"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Cellular responses to external stimuli","Extracellular matrix organization","Developmental Biology","Cell Cycle","Neuronal System","Gene expression (Transcription)",Met
abolism,"Immune System","Circadian Clock","Metabolism of RNA","Transport of small molecules","Cell-Cell communication","Digestion and absorption","Intracellular signaling by second messengers","Infect
ious disease","Cellular responses to stress","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Non-Receptor Tyrosine Kinases","Non-integrin membrane-ECM 
interactions","Signaling by Receptor Tyrosine Kinases","Nervous system development","MAPK family signaling cascades",Mitotic,"Signaling by NODAL","Transmission across Chemical Synapses","RNA Polymeras
e II Transcription","Metabolism of lipids","Signaling by TGFB family members","Innate Immune System","rRNA processing","Ion channel transport","Cell junction organization",Digestion,"PIP3 activates AK
T signaling","Leishmania infection","Cellular Senescence","Signaling by FGFR in disease","Signaling by PTK6","Signaling by VEGF","Axon guidance","Signaling by NTRKs","HIV Infection","MAPK1/MAPK3 signa
ling","Signaling by KIT in disease","Response of EIF2AK4 (GCN2) to amino acid deficiency","Regulation of mitotic cell cycle","Regulation of signaling by NODAL","Neurotransmitter receptors and postsyna
ptic signal transmission","Mitotic G2-G2/M phases","Signaling by TGF-beta Receptor Complex in Cancer","Mitotic G1 phase and G1/S transition","Generic Transcription Pathway","Phospholipid metabolism","
Regulation of lipid metabolism by PPARalpha","Signaling by BMP","Toll-like Receptor Cascades","Signaling by Insulin receptor","Sphingolipid metabolism","Signaling by PDGFR in disease","Oncogenic MAPK 
signaling","rRNA processing in the nucleus and cytosol","Stimuli-sensing channels","Signaling by NOTCH1 in Cancer","M Phase","Cell-extracellular matrix interactions","PTEN Regulation","Parasite infect
ion","Oxidative Stress Induced Senescence","Signaling by FGFR1 in disease","PTK6 Down-Regulation","VEGF ligand-receptor interactions","VEGFA-VEGFR2 Pathway","Semaphorin interactions","Signaling by NTR
K1 (TRKA)","Host Interactions of HIV factors","RAF/MAP kinase cascade","Drug resistance of KIT mutants","APC/C-mediated degradation of cell cycle proteins","Activation of NMDA receptors and postsynapt
ic events","Signaling by ROBO receptors","G2/M Transition","Leishmania parasite growth and survival","Loss of Function of SMAD2/3 in Cancer","G1 Phase","Transcriptional Regulation by TP53","Transcript
ional Regulation by VENTX","PI Metabolism","PPARA activates gene expression","Signaling by FGFR2 in disease","Negative regulation of the PI3K/AKT network","Toll Like Receptor 5 (TLR5) Cascade","Insuli
n receptor signalling cascade","EPH-Ephrin signaling","Toll Like Receptor 4 (TLR4) Cascade","Sphingolipid de novo biosynthesis","Drug resistance of PDGFR mutants","Signaling by RAS mutants","Major pat
hway of rRNA processing in the nucleolus and cytosol","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Mitotic Metaphase and Anaphase","Regulation of cytoskeletal remodeling and cell spreading 
by IPP complex components","Transcriptional regulation by RUNX1","Regulation of PTEN stability and activity","Leishmania phagocytosis","FGFR1 mutant receptor activation","VEGF binds to VEGFR leading t
o receptor dimerization","VEGFR2 mediated cell proliferation","Sema4D in semaphorin signaling","CRMPs in Sema3A signaling","Signalling to ERKs","The role of Nef in HIV-1 replication and disease pathog
enesis","Negative regulation of MAPK pathway","Dasatinib-resistant KIT mutants","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Post NMDA receptor activation events","R
ole of ABL in ROBO-SLIT signaling","Centrosome maturation","Anti-inflammatory response favouring Leishmania parasite infection","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Cyclin D associated e
vents in G1","Regulation of TP53 Activity","Signalling to ERK5","Synthesis of PIPs at the Golgi membrane","FGFR2 mutant receptor activation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","MyD88 cas
cade initiated on plasma membrane","IRS-mediated signalling","EPHB-mediated forward signaling","MyD88-independent TLR4 cascade","Imatinib-resistant PDGFR mutants","Signaling downstream of RAS mutants"
,"Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Mitotic Anaphase","RUNX1 regulates transcription of genes involved in BCR signaling","FCGR3A-mediated phagocytosis","Signaling by activated 
point mutants of FGFR1","Sema4D induced cell migration and growth-cone collapse","Prolonged ERK activation events","Nef and signal transduction","Negative feedback regulation of MAPK pathway","APC/C:C
dc20 mediated degradation of mitotic proteins","Activation of RAC1 downstream of NMDARs","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Loss of prote
ins required for interphase microtubule organization from the centrosome","FCGR3A-mediated IL10 synthesis","Regulation of TP53 Activity through Phosphorylation","Activated point mutants of FGFR2","MAP
 kinase activation","PI3K Cascade","TRIF(TICAM1)-mediated TLR4 signaling","Signalling to RAS","Separation of Sister Chromatids","ARMS-mediated activation","APC:Cdc20 mediated degradation of cell cycle
 proteins prior to satisfation of the cell cycle checkpoint","Nef Mediated CD4 Down-regulation","Loss of Nlp from mitotic centrosomes","JNK (c-Jun kinases) phosphorylation and  activation mediated by 
activated human TAK1","IKK complex recruitment mediated by RIP1","Frs2-mediated activation","p38MAPK events","activated TAK1 mediates p38 MAPK activation","APC-Cdc20 mediated degradation of Nek2A"}

> <broad_targets>
{BRAF,KDR}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{PLX-4720,PLX4720,918505-84-7,918505847,"PLX 4720",UNII-EQY31RO8HA,UNIIEQY31RO8HA,EQY31RO8HA,CHEBI:90295,C17H14ClF2N3O3S,"a,a-dimethoxytoluene","a,adimethoxytoluene",PubChem19346,3c4c,MLS006010065,SCH
EMBL133733,GTPL5703,CHEMBL1230020,BDBM25617,AMY2871,DTXSID10238711,EX-A186,EXA186,SYN1069,HMS3244C03,H,T2473,S1152}

> <pdid>
PD003519

> <targets>
{B-Raf,"B-RafV600E kinase Inhibitor"}

> <classes>
{}

> <pubchem_cids>
{24180719}

$$$$
Broad_2021
  SciTegic11012413022D

 24 26  0  0  0  0            999 V2000
    6.4964    0.7591    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8933    0.7554    0.0000 N   0  0
    2.5912    1.5016    0.0000 C   0  0
    1.2898    2.2475    0.0000 N   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
    7.8003   -1.4887    0.0000 C   0  0
    9.0994   -0.7387    0.0000 C   0  0
   10.3984   -1.4887    0.0000 C   0  0
   10.3985   -2.9887    0.0000 C   0  0
    9.0995   -3.7387    0.0000 C   0  0
    7.8004   -2.9887    0.0000 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  3  0
  4  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18  9  1  0
 18 13  1  0
  2 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  END
> <name>
Broad_2021

> <id>
33547

> <plate>
Plate_1

> <well>
O03

> <supplier_cmpd_name>
A 804598

> <ctcr_id>
8330

> <supplier_cmpd_id>
A 804598

> <smiles>
CC(N\C(=N\C#N)\Nc1cccc2ncccc12)c3ccccc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AK685610,4473,"A 804598"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{75115208}

$$$$
Broad_2021
  SciTegic11012413022D

 37 41  0  0  0  0            999 V2000
    3.2256   -4.6869    0.0000 C   0  0
    2.7071   -3.2793    0.0000 O   0  0
    3.6667   -2.1252    0.0000 C   0  0
    5.1442   -2.3838    0.0000 C   0  0
    6.1069   -1.2335    0.0000 C   0  0
    5.5920    0.1754    0.0000 C   0  0
    4.1145    0.4339    0.0000 C   0  0
    3.6002    1.8430    0.0000 F   0  0
    3.1484   -0.7186    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 N   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.4523    2.0983    0.0000 C   0  0
   -3.8856    1.6561    0.0000 N   0  0
   -4.2194    0.1937    0.0000 C   0  0
   -5.6526   -0.2516    0.0000 N   0  0
   -5.9845   -1.7153    0.0000 C   0  0
   -7.4163   -2.1625    0.0000 C   0  0
   -7.7450   -3.6260    0.0000 C   0  0
   -6.6419   -4.6424    0.0000 C   0  0
   -6.9738   -6.1061    0.0000 C   0  0
   -5.8725   -7.1245    0.0000 O   0  0
   -8.4063   -6.5512    0.0000 O   0  0
   -5.2101   -4.1953    0.0000 C   0  0
   -4.1043   -5.2101    0.0000 O   0  0
   -2.6731   -4.7610    0.0000 C   0  0
   -4.8814   -2.7318    0.0000 C   0  0
   -3.1198   -0.8265    0.0000 N   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -5.4558    0.0000 Cl  0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9  3  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 21 25  1  0
 25 26  1  0
 26 27  1  0
 25 28  2  0
 28 18  1  0
 16 29  1  0
 29 30  2  0
 30 13  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  2  0
 37 10  1  0
 37 31  1  0
M  END
> <name>
Broad_2021

> <id>
33548

> <plate>
Plate_1

> <well>
P03

> <supplier_cmpd_name>
Alisertib

> <ctcr_id>
2437

> <supplier_cmpd_id>
Alisertib

> <smiles>
COc1cccc(F)c1C2=NCc3cnc(Nc4ccc(C(O)=O)c(OC)c4)nc3c5ccc(Cl)cc25

> <pd_targets>
{LRRK2,AURKA,NTRK1,PTK2,ERBB4,LCK,RPS6KA3,GRK5,FGFR1,AURKB,EPHA2,FLT1,PDPK1,NTRK2,FGFR3,ABL1,RET,SRC,KDR,FRK,GABRA1,ROS1,PLK4,LTK,LIMK1,PIM3,CSNK2A1,SRPK1,BLK,SLK,NTRK3,TNK2,BTK,INCENP,EGFR,ERBB2,CDK8
,PRKACA,FER,CLK4,BRSK1}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Ligand-gated ion channel","Protein Kinase","GABA-A receptor","TKL protein kinase group","Other protein kinase group","TK protein kinase group","AGC protein kinase group",
"CAMK protein kinase group","CMGC protein kinase group","STE protein kinase group","TKL protein kinase LRRK family","Other protein kinase AUR family","Tyrosine protein kinase Trk family","Tyrosine pro
tein kinase Fak family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","AGC protein kinase RSK family","AGC protein kinase GRK family","Tyrosine protein kinase FGFR family"
,"Tyrosine protein kinase Eph family","Tyrosine protein kinase VEGFR family","AGC protein kinase PDK1 subfamily","Tyrosine protein kinase Abl family","Tyrosine protein kinase Ret family","Tyrosine pro
tein kinase Sev family","Other protein kinase PLK family","Tyrosine protein kinase Alk family","TKL protein kinase LISK family","CAMK protein kinase PIM family","Other protein kinase CK2 family","CMGC
 protein kinase SRPK family","STE protein kinase STE20 family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Tec family","CMGC protein kinase CDK family","AGC protein kinase PKA family
","Tyrosine protein kinase Fer family","CMGC protein kinase CLK family","CAMK protein kinase CAMK1 family","AGC protein kinase RSK subfamily","AGC protein kinase GRK subfamily","TKL protein kinase LIM
K subfamily","STE protein kinase SLK subfamily","CMGC protein kinase CDK8 subfamily","CAMK protein kinase BRSK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Catalytic receptors","Kinases (EC 2.7.x.x)","Ligand-gated ion channels","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","GABA<sub>A</sub> receptors","CAM
K: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","TKL: Tyrosine kinase-like","Other
 protein kinases","TK: Tyrosine kinase","RSK family","G protein-coupled receptor kinases (GRKs)","PDK1 family","PIM family","SRPK family","STE20 family","Cyclin-dependent kinase (CDK) family","Protein
 kinase A (PKA) family","CLK family","CAMK-like (CAMKL) family","Leucine-rich repeat kinase (LRRK) family","Aurora kinase (Aur) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinase
s (nRTKs)","RSK subfamily","GRK4 subfamily","Polo-like kinase (PLK) family","LIM domain kinase (LISK) family","Casein kinase 2 (CK2) family","SLK subfamily","CDK8 subfamily","BRSK subfamily","Type VII
 RTKs: Neurotrophin receptor/Trk family","Fak family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type XII
I RTKs: Ephrin receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Abl family","Type XIV RTKs: RET","Type XVII RTKs: ROS receptors","Type XIX RTKs: Leukocyte ty
rosine kinase (LTK) receptor family","LIMK subfamily","Ack family","Tec family","Fer family"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Disease,"Neuronal System","Immune System","Cell Cycle","Developmental Biology","Signaling by Non-Receptor Tyrosine Kinases","RNA Polymerase II 
Transcription","Signaling by Receptor Tyrosine Kinases","Infectious disease","Transmission across Chemical Synapses","Innate Immune System","Signaling by GPCR","Diseases of signal transduction by grow
th factor receptors and second messengers",Mitotic,"Nervous system development","Intracellular signaling by second messengers","Signaling by PTK6","Generic Transcription Pathway","Signaling by NTRKs",
"Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","HIV Infection","Toll-like Receptor Cascades","GPCR downstream signalling","Signaling by FGFR in disease","M Ph
ase","Axon guidance","Signaling by VEGF","PIP3 activates AKT signaling","Mitotic G2-G2/M phases","Signaling by NOTCH1 in Cancer","Signaling by SCF-KIT","PTK6 promotes HIF1A stabilization","Transcripti
onal Regulation by TP53","Signaling by NTRK1 (TRKA)","Parasite infection","Activation of NMDA receptors and postsynaptic events","Host Interactions of HIV factors","Toll Like Receptor 5 (TLR5) Cascade
","G alpha (q) signalling events","Signaling by FGFR1 in disease","Mitotic Metaphase and Anaphase","EPH-Ephrin signaling","VEGF ligand-receptor interactions","Signaling by FGFR3 in disease","RET signa
ling","VEGFA-VEGFR2 Pathway","PTEN Regulation","GABA receptor activation","G2/M Transition","Semaphorin interactions","Transcriptional regulation by RUNX1","Signaling by NTRK3 (TRKC)","Signaling by NO
TCH1 HD+PEST Domain Mutants in Cancer","Regulation of TP53 Activity","Signalling to ERKs","Leishmania phagocytosis","Post NMDA receptor activation events","The role of Nef in HIV-1 replication and dis
ease pathogenesis","MyD88 cascade initiated on plasma membrane","FGFR1 mutant receptor activation","Mitotic Anaphase","EPHA-mediated growth cone collapse","VEGF binds to VEGFR leading to receptor dime
rization","Activation of TRKA receptors","Signaling by FGFR3 point mutants in cancer","VEGFR2 mediated cell proliferation","Regulation of PTEN stability and activity","Centrosome maturation","Sema4D i
n semaphorin signaling","RUNX1 regulates transcription of genes involved in BCR signaling","Activated NTRK3 signals through PI3K","Gastrin-CREB signalling pathway via PKC and MAPK","Constitutive Signa
ling by NOTCH1 HD+PEST Domain Mutants","Regulation of TP53 Activity through Phosphorylation","Prolonged ERK activation events","FCGR3A-mediated phagocytosis","Long-term potentiation","Nef-mediates dow
n modulation of cell surface receptors by recruiting them to clathrin adapters","MAP kinase activation","Signaling by activated point mutants of FGFR1","Separation of Sister Chromatids","Regulation of
 TP53 Expression and Degradation","NGF-independant TRKA activation","FGFR3 mutant receptor activation","Signalling to RAS","Loss of proteins required for interphase microtubule organization from the c
entrosome","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by Gastrin","ARMS-mediated activation","Nef Mediated CD4 Down-regulation","MAPK targets/ Nuclear events mediat
ed by MAP kinases","Regulation of TP53 Degradation","Signaling by activated point mutants of FGFR3","p38MAPK events","Loss of Nlp from mitotic centrosomes","CREB phosphorylation"}

> <broad_targets>
{AURKA}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{Alisertib,1028486-01-2,1028486012,MLN8237,MLN-8237,"MLN8237 (Alisertib)","MLN 8237",UNII-T66ES73M18,UNIIT66ES73M18,CHEMBL483158,T66ES73M18,"Alisertib (USAN:INN)","Alisertib (MLN8237)","Alisertib (USA
N)","MLN8237,Alisertib",Kinome_3770,Kinome3770,Kinome-3770,"Kinome 3770",PubChem22398,"Alisertib; MLN8237",M,T2241,S1133,alisertib}

> <pdid>
PD003337

> <targets>
{Aurora,"Aurora Kinase",Apoptosis,Autophagy}

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

> <pubchem_cids>
{24771867}

$$$$
Broad_2021
  SciTegic11012413022D

 42 48  0  0  0  0            999 V2000
   10.3802    3.0257    0.0000 C   0  0
   10.3875    1.5257    0.0000 C   0  0
    9.0919    0.7681    0.0000 N   0  0
    9.0971   -0.7319    0.0000 C   0  0
    7.8007   -1.4864    0.0000 C   0  0
    6.4990   -0.7409    0.0000 N   0  0
    6.4939    0.7591    0.0000 C   0  0
    7.7903    1.5136    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 S   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4134   -4.4924    0.0000 C   0  0
   -1.5318   -5.7059    0.0000 C   0  0
   -0.0400   -5.5491    0.0000 C   0  0
    0.5701   -4.1788    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -3.9038    5.2484    0.0000 C   0  0
   -5.2041    5.9963    0.0000 O   0  0
   -2.6060    6.0004    0.0000 C   0  0
   -1.3058    5.2525    0.0000 C   0  0
   -1.3034    3.7525    0.0000 O   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -0.0073    6.0049    0.0000 N   0  0
   -0.0072    7.5050    0.0000 C   0  0
    1.2919    8.2550    0.0000 C   0  0
    2.5909    7.5050    0.0000 O   0  0
    2.5909    6.0050    0.0000 C   0  0
    1.2919    5.2550    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 24 25  1  0
 25 13  1  0
 25 17  2  0
 16 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  2  3
 34 35  1  0
 35 36  1  0
 36 26  1  0
 36 30  2  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
M  END
> <name>
Broad_2021

> <id>
33549

> <plate>
Plate_1

> <well>
A04

> <supplier_cmpd_name>
KU 0060648

> <ctcr_id>
8325

> <supplier_cmpd_id>
KU 0060648

> <smiles>
CCN1CCN(CC1)CC(=O)Nc2ccc(c3sc4ccccc4c23)c5cccc6C(=O)C=C(Oc56)N7CCOCC7

> <pd_targets>
{PIK3CA,PRKDC,PIK3CG,MTOR,PIK3CB,PIK3CD}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK f
amily kinases","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Immune System",Metabolism,"Gene expression (Transcription)","Signal Transduction","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","M
etabolism of lipids","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","Signaling by FGFR in disease","Cytosolic sensors of pathogen-asso
ciated DNA","Phospholipid metabolism","Generic Transcription Pathway","Signaling by Insulin receptor","Signaling by Interleukins","Signaling by FGFR1 in disease","STING mediated induction of host immu
ne responses","PI Metabolism","Transcriptional Regulation by TP53","Insulin receptor signalling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","FGFR1 mutant receptor activation","IRF3-med
iated induction of type I IFN","Synthesis of PIPs at the plasma membrane","Regulation of TP53 Activity","IRS-mediated signalling","Interleukin receptor SHC signaling","Signaling by cytosolic FGFR1 fus
ion mutants","Regulation of TP53 Expression and Degradation","PI3K Cascade","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{U006064,KU-0060648,KU0060648,881375-00-4,881375004,"KU 0060648",CHEMBL1086377,ku0060648,GTPL8011,SCHEMBL4111679,C33H34N4O4S,CHEBI:94302,BCP09056,2502AH,BDBM50319926,s8045,AKOS024458372,ZINC100766433,
CP-0072,CP0072,NCGC00250387-02,NCGC0025038702,NCGC00250387-07,NCGC0025038707,HY-13431,HY13431,CS-0006884,CS0006884,4840}

> <pdid>
PD003545

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{11964036}

$$$$
Broad_2021
  SciTegic11012413022D

 42 43  0  0  1  0            999 V2000
    2.8240    4.8530    0.0000 C   0  0
    4.1217    4.1006    0.0000 O   0  0
    4.1200    2.6000    0.0000 C   0  0  1  0  0  0
    2.8100    1.8400    0.0000 C   0  0
    1.5100    2.6000    0.0000 C   0  0  2  0  0  0
    1.5125    4.1000    0.0000 C   0  0
    0.2000    1.8400    0.0000 C   0  0
   -1.0900    2.6000    0.0000 C   0  0
   -1.0900    4.1100    0.0000 C   0  0
    0.2067    4.8655    0.0000 N   0  0
    0.2017    6.3663    0.0000 C   0  0
    1.4984    7.1219    0.0000 C   0  0
    1.4934    8.6219    0.0000 C   0  0
   -2.4000    4.8600    0.0000 C   0  0
   -2.4025    6.3600    0.0000 O   0  0
   -3.7000    4.1100    0.0000 C   0  0
   -3.7000    2.6000    0.0000 C   0  0
   -5.0100    1.8400    0.0000 N   0  0
   -5.0100    0.3400    0.0000 C   0  0
   -6.3055   -0.4161    0.0000 O   0  0
   -3.7000   -0.4000    0.0000 C   0  0
   -3.2700   -2.0600    0.0000 C   0  0
   -5.2487   -2.9872    0.0000 C   0  0
    0.2000   -2.6700    0.0000 C   0  0
    1.5100   -1.9100    0.0000 C   0  0  2  0  0  0
    1.5117   -0.4094    0.0000 O   0  0
    0.2140    0.3430    0.0000 C   0  0
    2.8100   -2.6700    0.0000 C   0  0  1  0  0  0
    2.8021   -4.1706    0.0000 O   0  0
    1.4989   -4.9150    0.0000 C   0  0
    1.4909   -6.4149    0.0000 O   0  0
    0.2036   -4.1585    0.0000 N   0  0
    4.1200   -1.9100    0.0000 C   0  0
    4.1200   -0.4000    0.0000 C   0  0
    5.4200    0.3400    0.0000 C   0  0  2  0  0  0
    6.7167   -0.4140    0.0000 C   0  0
    5.4200    1.8400    0.0000 C   0  0  1  0  0  0
    6.7211    2.5865    0.0000 O   0  0
    5.4198   -2.6586    0.0000 C   0  0
   -2.9070    0.2092    0.0000 C   0  0
   -2.4000    1.8400    0.0000 C   0  0
   -2.4017    0.8400    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
  9 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  3
 17 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  6
 26 27  1  0
 25 28  1  0
 28 29  1  6
 29 30  1  0
 30 31  2  0
 30 32  1  0
 28 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  1
 35 37  1  0
 37  3  1  0
 37 38  1  6
 33 39  1  0
 21 40  1  0
 17 41  1  0
 41  8  1  0
 41 42  2  0
M  END
> <name>
Broad_2021

> <id>
33550

> <plate>
Plate_1

> <well>
B04

> <supplier_cmpd_name>
Tanespimycin

> <ctcr_id>
7841

> <supplier_cmpd_id>
Tanespimycin

> <smiles>
CO[C@H]1C[C@H](C)CC2=C(NCC=C)C(=O)C=C(NC(=O)\C(=C/C=C\[C@H](OC)[C@@H](OC(=O)N)\C(=C\[C@H](C)[C@H]1O)\C)\C)C2=O

> <pd_targets>
{HSP90AA1,HSP90AB1,TRAP1,LMNA,MAPT,HSP82,HSC82,HSP90B1,ABL1,BCR,ERBB2,MET}

> <pathway_gtopdb>
{"Other cytosolic protein","Unclassified protein","Other nuclear protein","Other membrane protein",Enzyme,Kinase,"Protein Kinase","Atypical protein kinase group","TK protein kinase group","Atypical pr
otein kinase BCR family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Met family"}

> <pathway_chembl>
{"Other protein targets",Receptors,"Heat shock proteins","Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) 
receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Neuronal System","Immune System","Developmental Biology",Mitotic,"The citric acid (TCA) cycle and respiratory electron transport","Transmission across Chemical Synapses","Cyt
okine Signaling in Immune system","Nervous system development","Mitotic G2-G2/M phases","Respiratory electron transport","ATP synthesis by chemiosmotic coupling","and heat production by uncoupling pro
teins.","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by Interleukins","Axon guidance","G2/M Transition","Mitotic Metaphase and Anaphase","Activation of NMDA r
eceptors and postsynaptic events","Interleukin-4 and Interleukin-13 signaling","Semaphorin interactions","Centrosome maturation","The role of GTSE1 in G2/M progression after G2 checkpoint","Mitotic An
aphase","Post NMDA receptor activation events","Sema4D in semaphorin signaling","Loss of proteins required for interphase microtubule organization from the centrosome","Nuclear Envelope (NE) Reassembl
y","Activation of AMPK downstream of NMDARs","Sema4D induced cell migration and growth-cone collapse","Sema4D mediated inhibition of cell attachment and migration","Loss of Nlp from mitotic centrosome
s","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{HSP90AA1}

> <broad_moa>
{"HSP inhibitor"}

> <synonyms>
{SCHEMBL16226292,ZINC100208476,SW219302-1,SW2193021,T6290,S1141,Tanespimycin,"17-AAG (Tanespimycin)"}

> <pdid>
PD003314

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{46907555}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33551

> <plate>
Plate_1

> <well>
C04

> <supplier_cmpd_name>
Erastin

> <ctcr_id>
1289

> <supplier_cmpd_id>
Erastin

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 28 30  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 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
    0.0031    3.0008    0.0000 C   0  0
    1.3032    3.7490    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1047    0.0031    0.0000 C   0  0
   -5.8533    1.3039    0.0000 C   0  0
   -7.3541    1.3070    0.0000 C   0  0
   -8.1041    2.6061    0.0000 C   0  0
   -9.6041    2.6061    0.0000 C   0  0
  -10.3542    1.3071    0.0000 C   0  0
  -11.8550    1.3102    0.0000 O   0  0
  -12.6031    2.6104    0.0000 C   0  0
   -9.6042    0.0080    0.0000 C   0  0
  -10.3520   -1.2932    0.0000 O   0  0
   -9.6002   -2.5912    0.0000 C   0  0
   -8.1042    0.0080    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1882   -2.6402    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    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  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23 14  1  0
 11 24  1  0
 24 25  1  0
 24 26  1  0
 26  9  2  0
 26 27  1  0
 27  3  1  0
 27 28  2  0
M  END
> <name>
Broad_2021

> <id>
33552

> <plate>
Plate_1

> <well>
D04

> <supplier_cmpd_name>
Istradefylline

> <ctcr_id>
5773

> <supplier_cmpd_id>
Istradefylline

> <smiles>
CCN1C(=O)N(CC)c2nc(C=Cc3ccc(OC)c(OC)c3)n(C)c2C1=O

> <pd_targets>
{MAOB,ADORA1,ADORA2A,ADORA2B,CYP2C9,ADORA3}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Oxidoreductase,"Family A G protein-coupled receptor","Cytochrome P450","Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","Nucleotide-like receptor (famil
y A GPCR)","Cytochrome P450 family 2C","Adenosine receptor","Cytochrome P450 2C9"}

> <pathway_chembl>
{Enzymes,Receptors,"Catecholamine turnover","G protein-coupled receptors","Cytochrome P450","Adenosine receptors","CYP2 family: drug metabolising subset"}

> <pathway_reactome>
{Metabolism,"Signal Transduction",Disease,"Biological oxidations","Signaling by GPCR","Infectious disease","Phase I - Functionalization of compounds","GPCR ligand binding","Leishmania infection","Amin
e Oxidase reactions","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","Cytochrome P450 - arranged by substrate type","Biogenic amines are oxidatively deaminated to alde
hydes by MAOA and MAOB","Nucleotide-like (purinergic) receptors","Anti-inflammatory response favouring Leishmania parasite infection",Xenobiotics,"Adenosine P1 receptors","ADORA2B mediated anti-inflam
matory cytokines production","CYP2E1 reactions"}

> <broad_targets>
{ADORA1,ADORA2A,ADORA2B,ADORA3}

> <broad_moa>
{"adenosine receptor antagonist"}

> <synonyms>
{NCGC00253737-01,NCGC0025373701,CHEMBL3188058,HMS3656B10,FT-0686956,FT0686956,FT-0774885,FT0774885,"1,3-diethyl-8-(3,4-dimethoxystyryl)-7-methylxanthine","1,3diethyl8(3,4dimethoxystyryl)7methylxanthin
e","8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-diethyl-7-methylpurine-2,6-dione","8(2(3,4dimethoxyphenyl)ethenyl)1,3diethyl7methylpurine2,6dione",T6552,S2790,Istradefylline}

> <pdid>
PD003634

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{198792}

$$$$
Broad_2021
  SciTegic11012413022D

 37 41  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5551   -4.4192    0.0000 N   0  0
    4.0559   -4.4171    0.0000 C   0  0
    4.8105   -5.7135    0.0000 C   0  0
    6.3105   -5.7082    0.0000 C   0  0
    7.0560   -4.4066    0.0000 C   0  0
    6.3014   -3.1102    0.0000 C   0  0
    4.8015   -3.1154    0.0000 C   0  0
    8.5568   -4.4014    0.0000 C   0  0
    9.3121   -5.6973    0.0000 F   0  0
    9.3018   -3.0995    0.0000 F   0  0
   10.0568   -4.3954    0.0000 F   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 N   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -5.1992    2.9855    0.0000 C   0  0
   -6.5537    3.5997    0.0000 N   0  0
   -7.5517    2.4800    0.0000 C   0  0
   -6.7952    1.1847    0.0000 C   0  0
   -5.3296    1.5040    0.0000 N   0  0
   -9.0426    2.6290    0.0000 C   0  0
   -9.6604    3.9959    0.0000 F   0  0
   -9.9177    1.4108    0.0000 F   0  0
  -10.5352    2.7776    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
  3 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 26  2  0
 28 31  1  0
 31 32  1  0
 31 33  1  0
 31 34  1  0
 18 35  2  0
 35 36  1  0
 36 37  2  0
 37  2  1  0
 37 16  1  0
M  END
> <name>
Broad_2021

> <id>
33553

> <plate>
Plate_1

> <well>
E04

> <supplier_cmpd_name>
RAF 265

> <ctcr_id>
5714

> <supplier_cmpd_id>
RAF 265

> <smiles>
Cn1c(Nc2ccc(cc2)C(F)(F)F)nc3cc(Oc4ccnc(c4)c5[nH]c(cn5)C(F)(F)F)ccc13

> <pd_targets>
{STK25,TYK2,SLK,KDR,DDR1,EPHA2,EPHA4,EPHA8,TIE1,HCK,NEK5,TNIK,KIT,MET,EPHA6,EIF2AK4,DDR2,PDGFRB,BLK,BRAF,MAP3K11,MAP3K7,ABL1,ABL2,TNK1,FLT1,FRK,CIT,FGFR1,LCK,LYN,TNNI3K,MAP3K20,RIPK1,MAP2K5,FLT3,MAP4K
4,MAP4K5,CDK19,CSF1R,FLT4,TEK,HIPK4,FER,YES1,EIF2AK2,RET,EPHA1,EPHB6,PTK6,PRKAA1,STK10,RAF1,TAOK2,SYK,PDGFRA,TAOK1,FYN,SRC,MAP4K2,RIPK2,MAP4K3,EPHA7,STK36,PAK3,MAP3K19,TAOK3}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","STE protein kinase group","TK protein kinase group","Other protein kinase group","TKL protein kinase group","AGC protein kinase group","CMGC pro
tein kinase group","CAMK protein kinase group","STE protein kinase STE20 family","Tyrosine protein kinase JakA family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase DDR family","Tyro
sine protein kinase Eph family","Tyrosine protein kinase Tie family","Tyrosine protein kinase Src family","Other protein kinase NEK family","Tyrosine protein kinase PDGFR family","Tyrosine protein kin
ase Met family","Other protein kinase PEK family","TKL protein kinase RAF family","TKL protein kinase MLK family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Ack family","AGC protein
 kinase DMPK family","Tyrosine protein kinase FGFR family","TKL protein kinase RIPK family","STE protein kinase STE7 family","CMGC protein kinase CDK family","CMGC protein kinase DYRK family","Tyrosin
e protein kinase Fer family","Tyrosine protein kinase Ret family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Syk family","Other protein kinase ULK family","STE protein kinase STE11 fa
mily","STE protein kinase YSK subfamily","STE protein kinase SLK subfamily","STE protein kinase MSN subfamily","Other protein kinase GCN2 subfamily","TKL protein kinase MLK subfamily","TKL protein kin
ase TAK1 subfamily","AGC protein kinase CRIK subfamily","TKL protein kinase HH498 subfamily","STE protein kinase KHS subfamily","CMGC protein kinase CDK8 subfamily","CMGC protein kinase HIPK subfamily
","Other protein kinase PKR","CAMK protein kinase AMPK subfamily","STE protein kinase TAO subfamily","Tyrosine protein kinase SrcA","STE protein kinase PAKA subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: 
Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","STE20 family","TK: Tyrosine kinase","Other protein kinases","TKL: Tyrosine kinase-like","DMPK family","ST
E7 family","Cyclin-dependent kinase (CDK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CAMK-like (CAMKL) family","YSK subfamily","Non-receptor tyrosine kinas
es (nRTKs)","SLK subfamily","Receptor tyrosine kinases (RTKs)","NIMA (never in mitosis gene a)- related kinase (NEK) family","MSN subfamily","PEK family","RAF family","Mixed Lineage Kinase (MLK) famil
y","Other DMPK family kinases","Receptor interacting protein kinase (RIPK) family","KHS subfamily","CDK8 subfamily","HIPK subfamily","AMPK subfamily","TAO subfamily","Unc-51-like kinase (ULK) family",
"PAKA subfamily","STE20 subfamily","Janus kinase (JakA) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XVI RTKs: DDR (collagen receptor) family","Type XIII RTK
s: Ephrin receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Src family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type X RTKs: HGF (hepatocyte growth factor) recept
or family","GCN2 subfamily","MLK subfamily","TAK1 subfamily","Abl family","Ack family","Type V RTKs: FGF (fibroblast growth factor) receptor family","HH498 subfamily","Fer family","Other PEK family ki
nases","Type XIV RTKs: RET","Syk family"}

> <pathway_reactome>
{"Immune System","Signal Transduction","Extracellular matrix organization","Developmental Biology",Disease,"Cellular responses to external stimuli","Gene expression (Transcription)",Metabolism,"Cell C
ycle","Cytokine Signaling in Immune system","Signaling by Receptor Tyrosine Kinases","Non-integrin membrane-ECM interactions","Nervous system development","Infectious disease","Cellular responses to s
tress","Diseases of signal transduction by growth factor receptors and second messengers","Intracellular signaling by second messengers","RNA Polymerase II Transcription","Innate Immune System","Signa
ling by Rho GTPases","Metabolism of lipids","MAPK family signaling cascades",Mitotic,"Interferon Signaling","Signaling by VEGF","Axon guidance","HIV Infection","Cellular Senescence","Signaling by KIT 
in disease","Response of EIF2AK4 (GCN2) to amino acid deficiency","PIP3 activates AKT signaling","Generic Transcription Pathway","Signaling by NTRKs","Oncogenic MAPK signaling","Toll-like Receptor Cas
cades","Leishmania infection","RHO GTPase Effectors","Signaling by FGFR in disease","Signaling by Insulin receptor","Regulation of lipid metabolism by PPARalpha","MAPK1/MAPK3 signaling","Signaling by 
SCF-KIT","Influenza Infection","Mitotic G1 phase and G1/S transition","Neutrophil degranulation","Signaling by PDGFR in disease","M Phase","Interferon alpha/beta signaling","VEGFA-VEGFR2 Pathway","EPH
-Ephrin signaling","Host Interactions of HIV factors","Oxidative Stress Induced Senescence","Drug resistance of KIT mutants","Semaphorin interactions","Negative regulation of the PI3K/AKT network","Tr
anscriptional regulation by RUNX1","Signaling by NTRK1 (TRKA)","Signaling by RAS mutants","Toll Like Receptor 4 (TLR4) Cascade","Parasite infection","Signaling by ROBO receptors","VEGF ligand-receptor
 interactions","PTEN Regulation","RHO GTPases activate CIT","Signaling by FGFR1 in disease","Leishmania parasite growth and survival","Insulin receptor signalling cascade","PPARA activates gene expres
sion","Transcriptional Regulation by VENTX","RAF/MAP kinase cascade","NS1 Mediated Effects on Host Pathways","RET signaling","G1 Phase","Transcriptional Regulation by TP53","Drug resistance of PDGFR m
utants","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Regulation of IFNA signaling","VEGFR2 mediated cell proliferation","EPHA-mediated growth cone collapse","The role of Nef
 in HIV-1 replication and disease pathogenesis","Dasatinib-resistant KIT mutants","Sema4D in semaphorin signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","RUNX1 regulates transcription of ge
nes involved in BCR signaling","Signalling to ERKs","Signaling downstream of RAS mutants","MyD88-independent TLR4 cascade","Leishmania phagocytosis","Role of ABL in ROBO-SLIT signaling","VEGF binds to
 VEGFR leading to receptor dimerization","Regulation of PTEN stability and activity","FGFR1 mutant receptor activation","Anti-inflammatory response favouring Leishmania parasite infection","Signalling
 to ERK5","IRS-mediated signalling","Inhibition of PKR","EPHB-mediated forward signaling","Cyclin D associated events in G1","Regulation of TP53 Activity","Negative regulation of MAPK pathway","Imatin
ib-resistant PDGFR mutants","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Ephrin signaling","Nef and signal transduction","Sema4D mediated inhibition of cell attachment and migratio
n","Prolonged ERK activation events","TRIF(TICAM1)-mediated TLR4 signaling","FCGR3A-mediated phagocytosis","Signaling by activated point mutants of FGFR1","Nef-mediates down modulation of cell surface
 receptors by recruiting them to clathrin adapters","FCGR3A-mediated IL10 synthesis","PI3K Cascade","Regulation of TP53 Activity through Phosphorylation","Negative feedback regulation of MAPK pathway"
,"Separation of Sister Chromatids","Signalling to RAS","MAP kinase activation","ARMS-mediated activation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Nef Mediated CD4 Down-regulati
on","IKK complex recruitment mediated by RIP1","p38MAPK events","activated TAK1 mediates p38 MAPK activation"}

> <broad_targets>
{BRAF}

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

> <synonyms>
{RAF265,927880-90-8,927880908,CHIR-265,CHIR265,"RAF 265",RAF-265,RAF265(CHIR-265),RAF265(CHIR265),"CHIR 265","RAF265 (CHIR-265)","RAF265 (CHIR265)",UNII-8O434L3768,UNII8O434L3768,"RAF-265 (CHIR-265)",
8O434L3768,PubChem22594,NVP-RAF265,NVPRAF265,cc-117,cc117,SCHEMBL686452,CHEMBL558752,GTPL5674,BDBM31088,C24H16F6N6O,CHEBI:9145,S2161}

> <pdid>
PD003613

> <targets>
{VEGFR-PDGFR,Raf,VEGFR,Apoptosis,Autophagy}

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

> <pubchem_cids>
{11656518}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33554

> <plate>
Plate_1

> <well>
F04

> <supplier_cmpd_name>
ABT-737

> <ctcr_id>
4034

> <supplier_cmpd_id>
ABT-737

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 41 46  0  0  0  0            999 V2000
    2.5795   -7.5040    0.0000 O   0  0
    2.5847   -6.0040    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -3.8939    0.7546    0.0000 C   0  0
   -5.1904    1.5090    0.0000 C   0  0
   -6.4920    0.7635    0.0000 C   0  0
   -6.4971   -0.7365    0.0000 C   0  0
   -7.7988   -1.4820    0.0000 C   0  0
   -7.8039   -2.9820    0.0000 C   0  0
   -6.5075   -3.7364    0.0000 C   0  0
   -5.2059   -2.9909    0.0000 C   0  0
   -5.2007   -1.4909    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000    3.0000    0.0000 N   0  0
    1.2990    3.7500    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    3.8971    0.7500    0.0000 O   0  0
   -1.2982    3.7531    0.0000 C   0  0
   -2.5986    3.0053    0.0000 O   0  0
   -1.2961    5.2539    0.0000 N   0  0
   -2.5943    6.0070    0.0000 C   0  0
   -2.5922    7.5078    0.0000 C   0  0
   -3.8886    8.2624    0.0000 C   0  0
   -3.8834    9.7624    0.0000 C   0  0
   -2.5818   10.5079    0.0000 C   0  0
   -1.2854    9.7534    0.0000 C   0  0
   -1.2905    8.2534    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 13  1  0
 22 17  1  0
 11 23  1  0
 23  7  1  0
 23 24  2  0
  9 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28  8  1  0
 28 29  2  0
 25 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 34  1  0
  5 40  1  0
 40 41  2  0
 41  2  1  0
M  END
> <name>
Broad_2021

> <id>
33555

> <plate>
Plate_1

> <well>
G04

> <supplier_cmpd_name>
ICG-001

> <ctcr_id>
5414

> <supplier_cmpd_id>
ICG-001

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

> <pd_targets>
{CREBBP}

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

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

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

> <broad_targets>
{CTNNB1}

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

> <synonyms>
{CG00,NCGC00389373-02,NCGC0038937302,"PRI 724",CHEMBL2137823,SCHEMBL13744871,BDBM275766,HMS3740K21,BCP02465,AKOS026750389,"US10071086, Compound ICG-001","US10071086, Compound ICG001",FT-0670267,FT0670
267,FT-0774377,FT0774377,"PRI724; PRI 724; ICG001 isomer; ICG-001 isomer; ICG 001 isomer","PRI724; PRI 724; ICG001 isomer; ICG001 isomer; ICG 001 isomer",S2662,ICG-001}

> <pdid>
PD003345

> <targets>
{Wnt/beta-catenin}

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

> <pubchem_cids>
{20741453}

$$$$
Broad_2021
  SciTegic11012413022D

 32 35  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 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.5018    3.7420    0.0000 O   0  0
   -7.7993    2.9876    0.0000 C   0  0
   -9.1017    3.7333    0.0000 C   0  0
  -10.3992    2.9790    0.0000 N   0  0
  -11.7021    3.7223    0.0000 C   0  0
  -12.9973    2.9658    0.0000 C   0  0
  -12.9898    1.4658    0.0000 O   0  0
  -11.6870    0.7224    0.0000 C   0  0
  -10.3917    1.4789    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2578    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
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  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
 13 23  1  0
 23 24  2  0
 24 10  1  0
  2 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
M  END
> <name>
Broad_2021

> <id>
33556

> <plate>
Plate_1

> <well>
H04

> <supplier_cmpd_name>
Tirbanibulin

> <ctcr_id>
700

> <supplier_cmpd_id>
Tirbanibulin

> <smiles>
O=C(Cc1ccc(cn1)c2ccc(OCCN3CCOCC3)cc2)NCc4ccccc4

> <pd_targets>
{SRC,LYN,ABL1,BCR,TUBB5}

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

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

> <pathway_reactome>
{"Signal Transduction",Disease,"Cell Cycle","Signaling by Receptor Tyrosine Kinases","Infectious disease",Mitotic,"Signaling by NTRKs","Leishmania infection","Mitotic G2-G2/M phases","Signaling by NTR
K1 (TRKA)","Leishmania parasite growth and survival","G2/M Transition","Signalling to ERKs","Anti-inflammatory response favouring Leishmania parasite infection","Centrosome maturation","Signalling to 
RAS","FCGR3A-mediated IL10 synthesis","Loss of proteins required for interphase microtubule organization from the centrosome","p38MAPK events","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
{SRC}

> <broad_moa>
{"SRC inhibitor","tubulin polymerization inhibitor"}

> <synonyms>
{KX-2-391,KX2391,KX2-391,897016-82-9,897016829,Tirbanibulin,KX-01,KX01,UNII-4V9848RS5G,UNII4V9848RS5G,N-benzyl-2-(5-(4-(2-morpholinoethoxy)phenyl)pyridin-2-yl)acetamide,Nbenzyl2(5(4(2morpholinoethoxy)
phenyl)pyridin2yl)acetamide,KX-2391,CHEMBL571546,4V9848RS5G,KX2-391;KX-01,KX2391;KX01,2-Pyridineacetamide,2Pyridineacetamide,5-(4-(2-(4-morpholinyl)ethoxy)phenyl)-N-(phe,5(4(2(4morpholinyl)ethoxy)phen
yl)N(phe,T6345,S2700}

> <pdid>
PD003466

> <targets>
{Src}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{23635314}

$$$$
Broad_2021
  SciTegic11012413022D

 33 36  0  0  0  0            999 V2000
   -1.2250   -6.6252    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 N   0  0
    3.8805   -1.4410    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3042    3.7556    0.0000 O   0  0
   -1.3088    5.2564    0.0000 C   0  0
   -0.0126    6.0112    0.0000 C   0  0
   -6.4955    0.7438    0.0000 S   0  0
   -7.7955    1.4922    0.0000 O   0  0
   -6.4976    2.2438    0.0000 O   0  0
   -6.4940   -0.7570    0.0000 N   0  0
   -7.7924   -1.5082    0.0000 C   0  0
   -7.7909   -3.0082    0.0000 C   0  0
   -6.4912   -3.7570    0.0000 N   0  0
   -6.4897   -5.2570    0.0000 C   0  0
   -5.1929   -3.0058    0.0000 C   0  0
   -5.1943   -1.5058    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14  4  1  0
 14  8  2  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 17 24  1  0
 24 25  2  0
 24 26  2  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 33 27  1  0
M  END
> <name>
Broad_2021

> <id>
33557

> <plate>
Plate_1

> <well>
I04

> <supplier_cmpd_name>
Sildenafil

> <ctcr_id>
6305

> <supplier_cmpd_id>
Sildenafil

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

> <pd_targets>
{PDE3A,PDE3B,PDE5A,PDE6C,PDE1A,PDE1B,PDE6A,PDE6B,PDE6D,PDE6G,PDE6H,PDE1C,PDE11A,PDE9A,PDE2A,PDE4A,PDE4B,PDE4C,PDE4D,KCNH2,SLCO1B3,PDE10A,ABCB11,CYP3A4,ADRA1B,PDE7A,PDE8A,ABCC5,AMPC,ABCC4,IDO2,ADORA1,A
DORA2A,CACNA1C,SLCO2B1}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transporter,"Membrane receptor",Phosphodiesterase,"Voltage-gated ion channel","Electrochemical transporter","Primary active transporter","Cytochrome P450","Family A G protein-cou
pled receptor",Hydrolase,Oxidoreductase,"Phosphodiesterase 3","Phosphodiesterase 5","Phosphodiesterase 6","Phosphodiesterase 1","Phosphodiesterase 11","Phosphodiesterase 9","Phosphodiesterase 2","Phos
phodiesterase 4","Potassium channels","SLC superfamily of solute carriers","Phosphodiesterase 10","ATP-binding cassette","Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Phosphodi
esterase 7","Phosphodiesterase 8","Voltage-gated calcium channel","Phosphodiesterase 3A","Phosphodiesterase 5A","Phosphodiesterase 6C","Phosphodiesterase 1A","Phosphodiesterase 6A","Phosphodiesterase 
11A","Phosphodiesterase 9A","Phosphodiesterase 2A","Phosphodiesterase 4A","Voltage-gated potassium channel","Phosphodiesterase 3B","SLC21/SLCO family of organic anion transporting polypeptides","Phosp
hodiesterase 10A","ABCB subfamily","Phosphodiesterase 4D","Cytochrome P450 family 3A","Monoamine receptor","Phosphodiesterase 7A","Phosphodiesterase 8A","ABCC subfamily","Phosphodiesterase 1B","Phosph
odiesterase 4B","Nucleotide-like receptor (family A GPCR)","Cytochrome P450 3A4","Adrenergic receptor","Adenosine receptor"}

> <pathway_chembl>
{Enzymes,"Ion channels",Transporters,Receptors,"Cyclic nucleotide turnover/signalling","Voltage-gated ion channels","SLC superfamily of solute carriers","ATP-binding cassette transporter family","Cyto
chrome P450","G protein-coupled receptors","1.13.11.- Dioxygenases",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","Potassium channels","SLCO family of organic anion transporting polypeptides","A
BCB subfamily","CYP3 family",Adrenoceptors,"ABCC subfamily","Adenosine receptors","Voltage-gated calcium channels","Voltage-gated potassium channels"}

> <pathway_reactome>
{Hemostasis,"Signal Transduction","Muscle contraction",Metabolism,Disease,"Developmental Biology","Transport of small molecules","Platelet homeostasis","Signaling by GPCR","Cardiac conduction","Metabo
lism of lipids","Intracellular signaling by second messengers","Metabolism of carbohydrates","Platelet activation","signaling and aggregation","Metabolism of amino acids and derivatives","Infectious d
isease","Nervous system development","SLC-mediated transmembrane transport","Nitric oxide stimulates guanylate cyclase","GPCR downstream signalling","Phase 3 - rapid repolarisation","Metabolism of ste
roids","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand binding","DAG and IP3 signaling","Glycosaminoglycan metabolism","Response to elevated platelet cytosolic Ca2+","Tryptoph
an catabolism","Leishmania infection","Axon guidance","Transport of vitamins",nucleosides,"and related molecules","cGMP effects","G alpha (s) signalling events","G alpha (i) signalling events","Bile a
cid and bile salt metabolism","Biosynthesis of DHA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","CaM pathway","Hyaluronan metabolism","Platelet degranulation","Leishmania parasite growth and s
urvival","NCAM signaling for neurite out-growth","Transport of organic anions","Visual phototransduction","Recycling of bile acids and salts","Synthesis of bile acids and bile salts","Opioid Signallin
g","Biosynthesis of maresins","Amine ligand-binding receptors","Calmodulin induced events","Hyaluronan biosynthesis and export","Nucleotide-like (purinergic) receptors","Anti-inflammatory response fav
ouring Leishmania parasite infection","NCAM1 interactions","The phototransduction cascade","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","DARPP-32 events","Biosynthesis of mar
esin-like SPMs",Adrenoceptors,"Cam-PDE 1 activation","Adenosine P1 receptors","ADORA2B mediated anti-inflammatory cytokines production","Activation of the phototransduction cascade"}

> <broad_targets>
{PDE5A,PDE6G,PDE6H,SLCO1B1,SLCO1B3}

> <broad_moa>
{"phosphodiesterase inhibitor"}

> <synonyms>
{Prestw-1342,Prestw1342,Sildenafil,10008671,1504099,sildenafil,SILDENAFIL}

> <pdid>
PD003443

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

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

> <pubchem_cids>
{5212}

$$$$
Broad_2021
  SciTegic11012413022D

 33 36  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
   -0.3115    2.9665    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -3.8813    1.4408    0.0000 C   0  0
   -5.0460    2.3579    0.0000 S   0  0
   -6.2823    1.5084    0.0000 C   0  0
   -7.6935    2.0116    0.0000 C   0  0
   -8.8360    1.0396    0.0000 N   0  0
   -7.9646    3.4869    0.0000 O   0  0
   -5.8565    0.0701    0.0000 C   0  0
   -6.7662   -1.1203    0.0000 O   0  0
   -6.1900   -2.5061    0.0000 C   0  0
   -7.1014   -3.6986    0.0000 C   0  0
   -8.5886   -3.5028    0.0000 C   0  0
   -9.5018   -4.6927    0.0000 C   0  0
   -8.9279   -6.0786    0.0000 C   0  0
   -7.4407   -6.2745    0.0000 C   0  0
   -6.5275   -5.0845    0.0000 C   0  0
   -5.0395   -5.2806    0.0000 C   0  0
   -4.4648   -6.6661    0.0000 F   0  0
   -4.1266   -4.0904    0.0000 F   0  0
   -3.5523   -5.4758    0.0000 F   0  0
   -4.3570    0.0307    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 11 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 15 28  1  0
 28  9  2  0
  8 29  1  0
 29  5  2  0
 29 30  1  0
 30 31  2  0
 31  3  1  0
 31 32  1  0
 32 33  1  0
M  END
> <name>
Broad_2021

> <id>
33558

> <plate>
Plate_1

> <well>
J04

> <supplier_cmpd_name>
GW843682X

> <ctcr_id>
4653

> <supplier_cmpd_id>
GW843682X

> <smiles>
COc1cc2ncn(c3sc(C(N)=O)c(OCc4ccccc4C(F)(F)F)c3)c2cc1OC

> <pd_targets>
{ITK,CLK4,BRSK1,PLK3,EGFR,NEK2,JAK2,SLK,PLK2,MELK,GSK3B,PLK4,FLT1,AXL,PLK1,KDR,KIT,MAP4K5,LCK,NTRK1,PTK2,RPS6KA3,MAPKAPK5,FGFR1,PDGFRB,CSF1R,AURKA,RPS6KA5,JAK3,ERBB2,TSSK1B,TSSK2,LIMK1,PRKX,FLT4,SRC,P
TK2B,PRKG1,DYRK1A,STK3,FLT3,MAP4K4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","CMGC protein kinase group","CAMK protein kinase group","Other protein kinase group","STE protein kinase group","AGC protein kinase group","TK
L protein kinase group","Tyrosine protein kinase Tec family","CMGC protein kinase CLK family","CAMK protein kinase CAMK1 family","Other protein kinase PLK family","Tyrosine protein kinase EGFR family"
,"Other protein kinase NEK family","Tyrosine protein kinase JakA family","STE protein kinase STE20 family","CMGC protein kinase GSK family","Tyrosine protein kinase VEGFR family","Tyrosine protein kin
ase Axl family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Src family","Tyrosine protein kinase Trk family","Tyrosine protein kinase Fak family","AGC protein kinase RSK family","C
AMK protein kinase MAPKAPK family","Tyrosine protein kinase FGFR family","Other protein kinase AUR family","CAMK protein kinase TSSK family","TKL protein kinase LISK family","AGC protein kinase PKA fa
mily","AGC protein kinase PKG family","CMGC protein kinase DYRK family","CAMK protein kinase BRSK subfamily","STE protein kinase SLK subfamily","Other protein kinase PLK2","CAMK protein kinase MELK su
bfamily","STE protein kinase KHS subfamily","AGC protein kinase RSK subfamily","CAMK protein kinase MAPKAPK subfamily","AGC protein kinase MSK subfamily","TKL protein kinase LIMK subfamily","CMGC prot
ein kinase Dyrk1 subfamily","STE protein kinase MST subfamily","STE protein kinase MSN subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs o
f yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","TK: Tyrosine kinase","CLK family","CAMK-like (CAMKL) family","Other protein kinases","STE20 family","Glyc
ogen synthase kinase (GSK) family","RSK family","MAPK-Activated Protein Kinase (MAPKAPK) family","Testis specific kinase (TSSK) family","TKL: Tyrosine kinase-like","Protein kinase A (PKA) family","Pro
tein kinase G (PKG) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Non-receptor tyrosine kinases (nRTKs)","BRSK subfamily","Polo-like kinase (PLK) family","Rec
eptor tyrosine kinases (RTKs)","NIMA (never in mitosis gene a)- related kinase (NEK) family","SLK subfamily","MELK subfamily","GSK subfamily","KHS subfamily","RSK subfamily","MAPKAPK subfamily","Auror
a kinase (Aur) family","MSK subfamily","LIM domain kinase (LISK) family","Dyrk1 subfamily","MST subfamily","MSN subfamily","Tec family","Type I RTKs: ErbB (epidermal growth factor) receptor family","J
anus kinase (JakA) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT
3 receptor family","Src family","Type VII RTKs: Neurotrophin receptor/Trk family","Fak family","Type V RTKs: FGF (fibroblast growth factor) receptor family","LIMK subfamily"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)","Signal Transduction","Cell Cycle",Disease,"Developmental Biology",Hemostasis,"Cellular responses to external stimuli","Adaptive Immune System","RNA 
Polymerase II Transcription","Signaling by GPCR",Mitotic,"Infectious disease","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers
","Innate Immune System","Intracellular signaling by second messengers","Cytokine Signaling in Immune system","Nervous system development","Platelet homeostasis","Signaling by Hippo","Cellular respons
es to stress","TCR signaling","Generic Transcription Pathway","GPCR downstream signalling","Regulation of mitotic cell cycle","Mitotic G1 phase and G1/S transition","Leishmania infection","SARS-CoV In
fections","Mitotic G2-G2/M phases","Signaling by VEGF","Signaling by KIT in disease","HIV Infection","Signaling by NTRKs","Toll-like Receptor Cascades","Signaling by FGFR in disease","PIP3 activates A
KT signaling","Signaling by Interleukins","Axon guidance","Nitric oxide stimulates guanylate cyclase","Signaling by Insulin receptor","Cellular Senescence","Generation of second messenger molecules","
Transcriptional Regulation by TP53","G alpha (q) signalling events","APC/C-mediated degradation of cell cycle proteins","G1 Phase","Leishmania parasite growth and survival","SARS-CoV-1 Infection","G2/
M Transition","VEGF ligand-receptor interactions","VEGFA-VEGFR2 Pathway","Drug resistance of KIT mutants","Host Interactions of HIV factors","Signaling by NTRK1 (TRKA)","Parasite infection","Toll Like
 Receptor 5 (TLR5) Cascade","Signaling by FGFR1 in disease","Negative regulation of the PI3K/AKT network","Transcriptional Regulation by VENTX","Interleukin-2 family signaling","Semaphorin interaction
s","cGMP effects","G0 and Early G1","Insulin receptor signalling cascade","Oxidative Stress Induced Senescence","Regulation of TP53 Activity","Gastrin-CREB signalling pathway via PKC and MAPK","Activa
tion of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Cyclin D associated events in G1","Anti-inflammatory response favouring Leishmania parasite infection","SARS-CoV-1 Genome Repli
cation and Transcription","Centrosome maturation","VEGF binds to VEGFR leading to receptor dimerization","VEGFR2 mediated cell proliferation","Dasatinib-resistant KIT mutants","The role of Nef in HIV-
1 replication and disease pathogenesis","Signalling to ERKs","Leishmania phagocytosis","MyD88 cascade initiated on plasma membrane","FGFR1 mutant receptor activation",PI5P,"PP2A and IER3 Regulate PI3K
/AKT Signaling","Interleukin-15 signaling","Sema4D in semaphorin signaling","Interleukin-2 signaling","IRS-mediated signalling","Regulation of TP53 Activity through Phosphorylation","EGFR Transactivat
ion by Gastrin","APC/C:Cdc20 mediated degradation of mitotic proteins","CD163 mediating an anti-inflammatory response","Replication of the SARS-CoV-1 genome","Loss of proteins required for interphase 
microtubule organization from the centrosome","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Prolonged ERK activation events","FCGR3A-mediated phagoc
ytosis","MAP kinase activation","Signaling by activated point mutants of FGFR1","Sema4D induced cell migration and growth-cone collapse","ADORA2B mediated anti-inflammatory cytokines production","Sign
alling to RAS","PI3K Cascade","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Loss of Nlp from mitotic centrosomes","Nef Mediated CD4 Down-re
gulation","ARMS-mediated activation","MAPK targets/ Nuclear events mediated by MAP kinases","p38MAPK events","APC-Cdc20 mediated degradation of Nek2A","CREB phosphorylation"}

> <broad_targets>
{PLK1,PLK3}

> <broad_moa>
{"PLK inhibitor"}

> <synonyms>
{GW843682X,660868-91-7,660868917,"GW 843682X",GW843682,GW-843682X,C22H18F3N3O4S,Kinome_3462,Kinome3462,Kinome-3462,"Kinome 3462","thiophene deriv., 20",MLS006010260,"BMCL191018 Compound 2",CHEMBL51449
9,SCHEMBL1286884,BDBM25120,CHEBI:91334,DTXSID80431373,BCPP000216,HMS3265C07,HMS3265C08,HMS,2977}

> <pdid>
PD003624

> <targets>
{"Polo-like Kinase",PLK}

> <classes>
{}

> <pubchem_cids>
{9826308}

$$$$
Broad_2021
  SciTegic11012413022D

 34 39  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    2.5937   -6.0074    0.0000 C   0  0
    1.2413   -5.3885    0.0000 C   0  0
    0.2394   -6.5048    0.0000 N   0  0
   -1.2255   -6.8179    0.0000 C   0  0
   -2.3421   -5.8189    0.0000 C   0  0
   -3.7683   -6.2863    0.0000 N   0  0
   -4.8877   -5.2877    0.0000 C   0  0
   -6.3121   -5.7577    0.0000 C   0  0
   -6.6173   -7.2264    0.0000 N   0  0
   -5.4980   -8.2250    0.0000 C   0  0
   -4.0736   -7.7550    0.0000 C   0  0
   -1.3800   -8.3099    0.0000 C   0  0
   -0.0087   -8.9179    0.0000 S   0  0
    0.9914   -7.8027    0.0000 C   0  0
    2.4581   -7.4885    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  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
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
 13 21  2  0
 21 22  1  0
 22 23  1  0
 23 12  1  0
 23 24  2  0
 24 10  1  0
  2 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 28  1  0
 33 34  2  0
 34 25  1  0
M  END
> <name>
Broad_2021

> <id>
33559

> <plate>
Plate_1

> <well>
K04

> <supplier_cmpd_name>
SRT 1720

> <ctcr_id>
8271

> <supplier_cmpd_id>
SRT 1720

> <smiles>
O=C(Nc1ccccc1c2cn3c(CN4CCNCC4)csc3n2)c5cnc6ccccc6n5

> <pd_targets>
{SIRT2,SIRT1,SIRT3,SLC6A2,ADRA2A,CHRM2,CHRM1}

> <pathway_gtopdb>
{"Epigenetic regulator",Transporter,"Membrane receptor",Eraser,"Electrochemical transporter","Family A G protein-coupled receptor","Histone deacetylase","SLC superfamily of solute carriers","Small mol
ecule receptor (family A GPCR)","HDAC class III","SLC06 neurotransmitter transporter family","Monoamine receptor","Adrenergic receptor","Acetylcholine receptor"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Chromatin modifying enzymes","SLC superfamily of solute carriers","G protein-coupled receptors","3.5.1.- Histone deacetylases (HDACs)","SLC6 neurotransmitter transport
er family",Adrenoceptors,"Acetylcholine receptors (muscarinic)","Monoamine transporter subfamily"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Disease,"Signal Transduction",Mitotic,"RNA Polymerase II Transcription","Disorders of transmembrane transporters","Signaling by GPCR","M Phase","Generic
 Transcription Pathway","SLC transporter disorders","GPCR ligand binding","Mitotic Metaphase and Anaphase","FOXO-mediated transcription","Defective SLC6A2 causes orthostatic intolerance (OI)","Class A
/1 (Rhodopsin-like receptors)","Mitotic Anaphase","Regulation of FOXO transcriptional activity by acetylation","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Amine l
igand-binding receptors","Nuclear Envelope (NE) Reassembly",Adrenoceptors,"Muscarinic acetylcholine receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{SIRT1}

> <broad_moa>
{"SIRT activator"}

> <synonyms>
{2543455,925434-55-5,925434555,"SRT 1720",SRT-1720,SRT1720,"SRT-1720 free base","SRT1720 free base",UNII-DX3FHY76FZ,UNIIDX3FHY76FZ,DX3FHY76FZ,CHEMBL257991,"925434-55-5 (free base)","925434555 (free ba
se)","Tafluprost enone",C25H24ClN7OS,SCHEMBL963877,GTPL7703,DTXSID00636045,EX-A033,EXA033,ACT04836,AMY36693,AOB87773,BCP13176,56,10011020,"SRT 1720 dihydrochloride[925434-55-5(free base)]"}

> <pdid>
PD050847

> <targets>
{Autophagy,Sirtuin}

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

> <pubchem_cids>
{24180125}

$$$$
Broad_2021
  SciTegic11012413022D

 24 25  0  0  0  0            999 V2000
    2.4283   -5.7163    0.0000 C   0  0
    3.9195   -5.8781    0.0000 C   0  0
    4.5246   -7.2506    0.0000 O   0  0
    4.8054   -4.6666    0.0000 N   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 S   0  0
   -2.5983   -3.0004    0.0000 O   0  0
   -3.8975   -2.2510    0.0000 O   0  0
   -3.8990   -0.7508    0.0000 N   0  0
   -5.1988   -1.5013    0.0000 C   0  0
   -6.4990   -0.7517    0.0000 C   0  0
   -7.7980   -1.5017    0.0000 O   0  0
    4.2566    0.5871    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9  5  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
 15 17  1  0
 17 18  2  0
 17 19  2  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
  7 24  1  0
M  END
> <name>
Broad_2021

> <id>
33560

> <plate>
Plate_1

> <well>
L04

> <supplier_cmpd_name>
PIK-93

> <ctcr_id>
2529

> <supplier_cmpd_id>
PIK-93

> <smiles>
CC(=O)N=C1NC(=C(S1)c2ccc(Cl)c(c2)[S](=O)(=O)NCCO)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{IK9,PIK-93,PIK93,AKOS016362896,CCG-264899,CCG264899,CS-0203,CS0203,DB06836,SB19248,NCGC00346536-01,NCGC0034653601,NCGC00346536-06,NCGC0034653606,AC-32793,AC32793,AS-16222,AS16222,HY-12046,HY12046,SMR
004702780,FT-0761476,FT0761476,SW219245-1,SW2192451,X7414,W-5546,W5546,960P113,J-523090,J523090,Q27088391,593960-11-3,593960113,"PIK 93",CHEMBL1229535,N-(5-(4-CHLORO-3,N(5(4CHLORO3,S1489}

> <pdid>

> <targets>
{PI3K,VEGFR}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{6852167}

$$$$
Broad_2021
  SciTegic11012413022D

  9  9  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 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 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9  2  1  0
M  END
> <name>
Broad_2021

> <id>
33561

> <plate>
Plate_1

> <well>
M04

> <supplier_cmpd_name>
5-Fluorouracil

> <ctcr_id>
604

> <supplier_cmpd_id>
5-Fluorouracil

> <smiles>
Oc1ncc(F)c(O)n1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{5-Fluorouracil,5Fluorouracil,fluorouracil,51-21-8,51218,5-FU,5FU,Fluoroplex,Efudex,Adrucil,Carac,"5-fluoropyrimidine-2,4(1H,3H)-dione","5fluoropyrimidine2,4(1H,3H)dione",Fluracil,Fluoroblastin,Kecime
ton,Carzonal,Timazin,Arumel,Efudix,Fluril,5-Fluoracil,5Fluoracil,Fluracilum,Queroplex,Ulup,Phthoruracil,5-fluoro-,5fluoro,19893,S1209,SAM002264615,1500305,Prestw-1203,"NSC 19893",Fluorouracil,CPD00003
8082,FLUOROURACIL,5-fluorouracil}

> <pdid>

> <targets>
{}

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

> <pubchem_cids>
{3385}

$$$$
Broad_2021
  SciTegic11012413022D

 20 22  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -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
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 N   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2121    3.8625    0.0000 C   0  0
    0.7463    5.2884    0.0000 C   0  0
   -0.7537    5.2860    0.0000 N   0  0
   -1.2149    3.8587    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  2  3
  7  8  1  0
  8  9  2  3
  9 10  1  0
  9 11  1  0
 11 12  2  3
 12 13  1  0
 12 14  1  0
 14 15  2  3
 15  3  1  0
 15  8  1  0
  6 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  3
 19 20  1  0
 20 16  1  0
M  END
> <name>
Broad_2021

> <id>
33562

> <plate>
Plate_1

> <well>
N04

> <supplier_cmpd_name>
Voxtalisib

> <ctcr_id>
12033

> <supplier_cmpd_id>
Voxtalisib

> <smiles>
CCN1C(=O)C(=CC2=C(C)N=C(N)N=C12)C1=CC=NN1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{voxtalisib,934493-76-2,934493762,SAR245409,UNII-CVL1685GPH,UNIICVL1685GPH,"Voxtalisib (XL765, SAR245409)",CVL1685GPH,"2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)-7-pyrido(2,3-d)pyrimidinone","2amino
8ethyl4methyl6(1Hpyrazol5yl)7pyrido(2,3d)pyrimidinone","2-amino-8-ethyl-4-methyl-6-(1H-pyrazol-5-yl)pyrido(2,3-d)pyrimidin-7-one","2amino8ethyl4methyl6(1Hpyrazol5yl)pyrido(2,3d)pyrimidin7one",V,T7014,
Voxtalisib}

> <pdid>

> <targets>
{mTOR,PI3K,DNA-PK,PI3K¦Á,PI3K¦Â,PI3K¦Ã,PI3K¦Ä}

> <classes>
{DNA Damage/DNA Repair,PI3K/Akt/mTOR signaling,PI3K/Akt/mTOR}

> <pubchem_cids>
{16123056}

$$$$
Broad_2021
  SciTegic11012413022D

 31 34  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0875    3.7680    0.0000 F   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Cl  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.9099   -8.2497    0.0000 C   0  0
   -3.9099   -9.7497    0.0000 C   0  0
   -2.6109  -10.4997    0.0000 O   0  0
   -1.3119   -9.7497    0.0000 C   0  0
   -1.3118   -8.2497    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 11  1  0
  9 19  2  0
 19  5  1  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
M  END
> <name>
Broad_2021

> <id>
33563

> <plate>
Plate_1

> <well>
O04

> <supplier_cmpd_name>
Gefitinib

> <ctcr_id>
6466

> <supplier_cmpd_id>
Gefitinib

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

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

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

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

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

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

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

> <pdid>
PD003385

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

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

> <pubchem_cids>
{123631}

$$$$
Broad_2021
  SciTegic11012413022D

 32 34  0  0  1  0            999 V2000
    5.2029   -2.9932    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0  1  0  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 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 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
    6.4990   -0.7409    0.0000 C   0  0
    6.6368    0.7400    0.0000 N   0  0
    8.1040    1.0519    0.0000 C   0  0
    8.8541   -0.2471    0.0000 C   0  0
    7.8505   -1.3618    0.0000 S   0  0
   10.3438   -0.4067    0.0000 C   0  0
   11.2275    0.8054    0.0000 O   0  0
   10.9524   -1.7786    0.0000 N   0  0
   12.4447   -1.9384    0.0000 C   0  0
   13.0549   -3.3087    0.0000 C   0  0
   14.5467   -3.4655    0.0000 C   0  0
   15.4283   -2.2519    0.0000 C   0  0
   16.9201   -2.4087    0.0000 Cl  0  0
   14.8182   -0.8816    0.0000 C   0  0
   13.3264   -0.7249    0.0000 N   0  0
   15.1572   -4.8365    0.0000 C   0  0
   14.2763   -6.0506    0.0000 F   0  0
   16.6490   -4.9928    0.0000 F   0  0
   15.7680   -6.2065    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
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12  6  1  0
 12 13  1  0
  2 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 14  1  0
 17 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 22  1  0
 24 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
M  END
> <name>
Broad_2021

> <id>
33564

> <plate>
Plate_1

> <well>
P04

> <supplier_cmpd_name>
TAK-580

> <ctcr_id>
8263

> <supplier_cmpd_id>
TAK-580

> <smiles>
C[C@@H](NC(=O)c1ncnc(N)c1Cl)c2ncc(s2)C(=O)Nc3cc(c(Cl)cn3)C(F)(F)F

> <pd_targets>
{BRAF,ARAF,RAF1}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TKL: Tyrosine kinase-like","RAF family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by NTRKs","Signaling by NTRK1 (TRKA)","Signalling to ERKs","Prolonged ERK activation events","ARMS-mediated activation"}

> <broad_targets>
{}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{09670871,1096708-71-2,1096708712,MLN2480,BIIB-024,BIIB024,"MLN 2480",MLN-2480,Tak-580,Tak580,"BIIB 024",UNII-ZN90E4027M,UNIIZN90E4027M,TAK580,"Tak 580","AMG 2112819",ZN90E4027M,"TAK-580 (MLN2480)","T
AK580 (MLN2480)",QOP,C17H12Cl2F3N7O2S,DAY101,GTPL9977,SCHEMBL4206123,CHEMBL3348923,DTXSID70149011,EX-A94,EXA94,T6895,HY-15246,19675,"MLN 2480"}

> <pdid>
PD003661

> <targets>
{Raf}

> <classes>
{}

> <pubchem_cids>
{25161177}

$$$$
Broad_2021
  SciTegic11012413022D

 26 28  0  0  0  0            999 V2000
    1.2636   -2.2496    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.5801    0.0303    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5800   -0.0305    0.0000 C   0  0
   -1.2638    2.2496    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8963   -3.7531    0.0000 C   0  0
   -5.1966   -3.0054    0.0000 O   0  0
   -3.8941   -5.2539    0.0000 N   0  0
   -5.1923   -6.0070    0.0000 C   0  0
   -5.1924   -7.5071    0.0000 C   0  0
   -6.4914   -8.2571    0.0000 C   0  0
   -7.7905   -7.5071    0.0000 C   0  0
   -7.7905   -6.0071    0.0000 C   0  0
   -6.4915   -5.2571    0.0000 C   0  0
   -9.0917   -8.2549    0.0000 C   0  0
   -9.0943   -9.7549    0.0000 O   0  0
  -10.3897   -7.5031    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  2  1  0
 14  9  1  0
 11 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 21 24  1  0
 24 25  1  0
 24 26  2  0
M  END
> <name>
Broad_2021

> <id>
33565

> <plate>
Plate_1

> <well>
A05

> <supplier_cmpd_name>
AM 580

> <ctcr_id>
8296

> <supplier_cmpd_id>
AM 580

> <smiles>
CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc3ccc(cc3)C(O)=O

> <pd_targets>
{CYP2C19,CYP26A1,TSHR,RARG,RARA,RARB,CYP2C9,MAPK1,KMT2A,MEN1,CYP3A4,CYP1A2,ALDH1A1}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Transcription factor","Epigenetic regulator","Cytochrome P450","Family A G protein-coupled receptor","Nuclear receptor",Kinase,Reader,Oxidoreductase,"Cytochrome P450 famil
y 2","Cytochrome P450 family 26","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Protein Kinase",Bromodomain,"Cytochrome P450 family 3","Cytochrome P450 family 1","Cytochrom
e P450 family 2C","Cytochrome P450 family 26A","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group B","CMGC protein kinase group","Cytochrome P450 family 3A","Cytochrome P450 family 1A
","Cytochrome P450 2C19","Cytochrome P450 26A1","Nuclear hormone receptor subfamily 1 group B member 3","Nuclear hormone receptor subfamily 1 group B member 1","Nuclear hormone receptor subfamily 1 gr
oup B member 2","Cytochrome P450 2C9","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Cytochrome P450 1A1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","CYP2 family: drug metabolising subset",CYP24,"CYP26 and CYP27 families","Glycopro
tein hormone receptors","1B. Retinoic acid receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","CYP1 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"Gene expression (Transcription)","Metabolism of proteins","Immune System","Biological oxidations","Infectious disease","RNA Polymerase II Transcription","Post-translational protei
n modification","Innate Immune System","Metabolism of lipids","Phase I - Functionalization of compounds","Leishmania infection","Generic Transcription Pathway",SUMOylation,"Toll-like Receptor Cascades
","Biosynthesis of specialized proresolving mediators (SPMs)","Cytochrome P450 - arranged by substrate type","Leishmania parasite growth and survival","Nuclear Receptor transcription pathway","SUMO E3
 ligases SUMOylate target proteins","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Ethanol oxidation",Xenobiotics,Vitamins,"Anti-inflammatory response favouring Leishmania p
arasite infection","SUMOylation of intracellular receptors","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","CYP2E1 reactions","ADORA2B mediated anti-inflammatory cytokines pro
duction","MAP kinase activation","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK
 targets","ERKs are inactivated"}

> <broad_targets>
{RARA}

> <broad_moa>
{"retinoid receptor agonist"}

> <synonyms>
{AM580,102121-60-8,102121608,"Am 580",AM-580,"Ro 40-6055","Ro 406055",CD-336,CD336,"CD 336",UNII-VZ5S5G9ZFZ,UNIIVZ5S5G9ZFZ,VZ5S5G9ZFZ,CHEMBL69367,CHEBI:64210,MFCD00673916,NSC608001,Ro-40-6055,Ro406055
,SR-01000597463,SR01000597463,"BRN 3565084",ACMC-20cewx,ACMC20cewx,Tocris-0760,Tocris0760,Spectrum5_001941,Spectrum5001941,Spectrum5-001941,"Spectrum5 001941",DSSTox_CID_20758,DSSToxCID20758,DSSTox-CI
D-20758,"DSSTox CID 20758",DSSTo,0760,A8843,"AM 580"}

> <pdid>
PD003554

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2126}

$$$$
Broad_2021
  SciTegic11012413022D

 30 34  0  0  0  0            999 V2000
    4.0551   -4.4171    0.0000 F   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8073   -5.7196    0.0000 F   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1743   -3.8808    0.0000 N   0  0
   -3.0913   -5.0679    0.0000 C   0  0
   -2.5218   -6.4556    0.0000 N   0  0
   -1.0353   -6.6562    0.0000 C   0  0
   -0.1183   -5.4691    0.0000 N   0  0
   -0.4655   -8.0446    0.0000 N   0  0
   -1.3806   -9.2332    0.0000 C   0  0
   -0.8088  -10.6200    0.0000 C   0  0
    0.6780  -10.8182    0.0000 O   0  0
    1.5931   -9.6297    0.0000 C   0  0
    1.0214   -8.2429    0.0000 C   0  0
   -4.5786   -4.8672    0.0000 N   0  0
   -5.1504   -3.4804    0.0000 C   0  0
   -6.6373   -3.2821    0.0000 C   0  0
   -7.5524   -4.4706    0.0000 O   0  0
   -6.9807   -5.8574    0.0000 C   0  0
   -5.4938   -6.0557    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12  4  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 15 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
M  END
> <name>
Broad_2021

> <id>
33566

> <plate>
Plate_1

> <well>
B05

> <supplier_cmpd_name>
ZSTK474

> <ctcr_id>
2959

> <supplier_cmpd_id>
ZSTK474

> <smiles>
FC(F)c1nc2ccccc2n1c3nc(nc(n3)N4CCOCC4)N5CCOCC5

> <pd_targets>
{PIK3CB,PIK3CG,PIK3CA,PIK3C2B,PIK3CD,PIK3R1,MTOR}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidylinositol-4-phosphate 3-kinase family","Phosphatidyl inositol 3' 
kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,Disease,"Gene expression (Transcription)","Immune System","Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","Diseases of signal transduction by growth f
actor receptors and second messengers","RNA Polymerase II Transcription","Cytokine Signaling in Immune system","Signaling by Insulin receptor","Phospholipid metabolism","Signaling by FGFR in disease",
"Generic Transcription Pathway","Signaling by Interleukins","Insulin receptor signalling cascade","PI Metabolism","Signaling by FGFR1 in disease","Transcriptional Regulation by TP53",Interleukin-3,"In
terleukin-5 and GM-CSF signaling","IRS-mediated signalling","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor activation","Regulation of TP53 Activity","Interleukin receptor SHC signal
ing","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{ZSTK474,475110-96-4,475110964,ZSTK-474,"ZSTK 474",TCMDC-137004,TCMDC137004,UNII-K0068GK39A,UNIIK0068GK39A,"2-(2-Difluoromethylbenzimidazol-1-yl)-4,6-bis(morpholino)-1,3,5-triazine","2(2Difluoromethyl
benzimidazol1yl)4,6bis(morpholino)1,3,5triazine",CHEMBL586702,CHEBI:90545,K0068GK39A,2-(2-difluoromethylbenzimidazol-1-yl)-4,2(2difluoromethylbenzimidazol1yl)4,6-dimorpholino-1,6dimorpholino1,3,5-tria
z,5triaz,T6168,S1072}

> <pdid>
PD003388

> <targets>
{PI3K,Autophagy}

> <classes>
{Autophagy,PI3K/Akt/mTOR}

> <pubchem_cids>
{11647372}

$$$$
Broad_2021
  SciTegic11012413022D

 13 14  0  0  0  0            999 V2000
   -0.5993   -3.0143    0.0000 O   0  0
    0.8873   -2.8137    0.0000 C   0  0
    1.4440   -1.4074    0.0000 C   0  0
    2.9458   -1.2253    0.0000 C   0  0
    3.8632   -2.4121    0.0000 O   0  0
    0.1097   -0.7860    0.0000 N   0  0
   -1.3709   -1.4257    0.0000 C   0  0
   -1.5537    0.0000    0.0000 C   0  0
    0.0000    0.5484    0.0000 C   0  0
    0.0000    2.1386    0.0000 C   0  0
    0.3656    1.0236    0.0000 C   0  0
    1.1881    0.0000    0.0000 C   0  0
    2.3739    0.9186    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  1  0
 10 11  1  0
 11  6  1  0
  9 12  1  0
 12  3  1  0
 12 13  2  0
M  END
> <name>
Broad_2021

> <id>
33567

> <plate>
Plate_1

> <well>
C05

> <supplier_cmpd_name>
PRIMA-1

> <ctcr_id>
8340

> <supplier_cmpd_id>
PRIMA-1

> <smiles>
OCC1(CO)N2CCC(CC2)C1=O

> <pd_targets>
{KMT2A,MEN1,CYP2C19,RORC,CYP2C9,MAPT,LEF}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Transcription factor","Other cytosolic protein",Reader,"Cytochrome P450","Nuclear receptor",Protease,Bromodomain,"Cytochrome P450 family 2","Nuclear hormone receptor su
bfamily 1","Metallo protease","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group F","Metallo protease MAE clan","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group 
F member 3","Cytochrome P450 2C9","Metallo protease M34 family"}

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

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Neuronal System",Disease,"Biological oxidations","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Infectious disease","Phase I 
- Functionalization of compounds","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","Uptake and actions of bacterial toxins","Cytochrome P450 - arranged
 by substrate type","Transcriptional regulation by RUNX3","Activation of NMDA receptors and postsynaptic events","Uptake and function of anthrax toxins",Xenobiotics,"RUNX3 Regulates Immune Response an
d Cell Migration","Post NMDA receptor activation events","CYP2E1 reactions","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{ACHE}

> <broad_moa>
{"TP53 inhibitor"}

> <synonyms>
{RIMA,prima-1,prima1,5608-24-2,5608242,NSC281668,NSC-281668,"2,2-Bis(hydroxymethyl)-3-quinuclidinone","2,2Bis(hydroxymethyl)3quinuclidinone","2,2-bis(hydroxymethyl)-1-azabicyclo(2.2.2)octan-3-one","2,
2bis(hydroxymethyl)1azabicyclo(2.2.2)octan3one","2,2-bis(hydroxymethyl)-1-azabicyclo(2,2,2,)octan-3-one","2,2bis(hydroxymethyl)1azabicyclo(2,2,2,)octan3one",UNII-GHC34M30BG,UNIIGHC34M30BG,GHC34M30BG,M
LS003115529,MFCD04974196,1862,PRIMA-1}

> <pdid>
PD003522

> <targets>
{Apoptosis,Autophagy,Ferroptosis,MDM-2/p53}

> <classes>
{Apoptosis,Autophagy}

> <pubchem_cids>
{322968}

$$$$
Broad_2021
  SciTegic11012413022D

 28 31  0  0  1  0            999 V2000
    6.4924   -3.7566    0.0000 C   0  0
    5.1945   -3.0045    0.0000 N   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0  2  0  0  0
    3.8991   -0.7525    0.0000 C   0  0  1  0  0  0
    3.9015    0.7475    0.0000 O   0  0
    5.1969   -1.5045    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
    0.0036   -7.4988    0.0000 C   0  0
   -1.2942   -8.2509    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 C   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -3.8971   -5.2550    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  2  1  0
  5  9  1  1
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  1  0
 21  9  1  0
 21 15  2  0
 19 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 27 28  1  0
M  END
> <name>
Broad_2021

> <id>
33568

> <plate>
Plate_1

> <well>
D05

> <supplier_cmpd_name>
Flavopiridol

> <ctcr_id>
7731

> <supplier_cmpd_id>
Flavopiridol

> <smiles>
CN1CC[C@H]([C@@H](O)C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl

> <pd_targets>
{PIP5K1C,DSTYK,EGFR,PYGM,CAMKK1,CDK16,CDK2,CAMK2A,RPS6KA2,MKNK2,CLK1,CAMK2B,CDK14,AXL,RPS6KA6,STK3,CIT,CSF1R,CDK3,NUAK2,EPHA1,CCNE1,CCNE2,CCNB1,CCNB2,CCNB3,CDK1,CCND1,CDK4,PRKCE,PRKCH,KIT,ACVR2B,ALK,A
CVRL1,MAP4K1,ULK2,IRAK4,CDK15,LRRK2,DYRK1A,PRKCD,PIM3,GSK3A,ABL1,PRKCQ,MAPK7,RPS6KA4,AAK1,EIF2AK2,STK32A,IRAK1,CDK6,CAMKK2,CRK2,GAK,EPHA5,STK17B,FLT3,CDK17,CDK18,PHKG1,CDK19,CDK8,MAP3K9,CDC42BPB,DCLK1
,DCLK3,CDK13,MAPK3,CDK7,CDK9,CCND2,CCND3,CDK5,CDK5R1,PIM1,CLK2,PHKG2,MAP3K10,SRMS,PKN1,TBK1,TAOK3,CCNT1,CCNA2,PRKCA,PRKCB,PRKCG,PRKCI,PRKCZ,PRKD1,PRKD3,LCK,PDGFRA,MERTK,TAOK2,TAOK1,MAP3K7,CSNK1A1L,DYR
K1B,MAP2K3,MAPK15,PRKD2,RPS6KA1,MINK1,IKBKE,ACVR1,MAPK10,GRK1,CDKL5,CCNA1,CAMK2G,DMPK,STK17A,HIPK2,GRK7,GSK3-BETA,CCNH,PIM2,EPHB1,PRKAA1,FRK,PTK2B,CDC42BPA,EPHA3,MAPK8,JAK3,RPS6KA3,CSNK1A1,MAP4K2,TYK2
,JAK2,MAP4K3,ROCK1,CILK1,STK35,PLK4,CAMK4,CSNK1G1,SRC,GSK3B,BMPR1B,MAP3K3,RPS6KB1,STK33,TNNI3K,LTK,MAP2K4,VRK2,EIF2AK1,PIP4K2C,HIPK4,MAP2K5,HIPK1,ERBB4,ERBB3,ROCK2,CLK3,RPS6KA5,CAMK2D,TGFBR2,EPHA2,LAR
P7,ERBB2,ACVR2A,HIPK3,MAK,MAP3K2,MNAT1,GRK5,MAPK13,CLK4,MATK,MAPK14,SRPK1,MAPK12,MAP4K5,PKN2,SYK,ROS1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transferase,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","CMGC protein kinase group","CAMK protein kinase group","AGC protein kinase gr
oup","STE protein kinase group","TKL protein kinase group","CK1 protein kinase group","Tyrosine protein kinase EGFR family","Other protein kinase CAMKK family","CMGC protein kinase CDK family","CAMK p
rotein kinase CAMK2 family","AGC protein kinase RSK family","CAMK protein kinase MAPKAPK family","CMGC protein kinase CLK family","Tyrosine protein kinase Axl family","STE protein kinase STE20 family"
,"AGC protein kinase DMPK family","Tyrosine protein kinase PDGFR family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Eph family","AGC protein kinase PKC family","TKL protein kinase STK
R family","Other protein kinase ULK family","TKL protein kinase IRAK family","TKL protein kinase LRRK family","CMGC protein kinase DYRK family","CAMK protein kinase PIM family","CMGC protein kinase GS
K family","Tyrosine protein kinase Abl family","CMGC protein kinase MAPK family","Other protein kinase NAK family","Other protein kinase PEK family","AGC protein kinase YANK family","CAMK protein kina
se DAPK family","CAMK protein kinase PHk family","TKL protein kinase MLK family","CAMK protein kinase DCAMK1 family","Tyrosine protein kinase Src family","AGC protein kinase PKN family","Other protein
 kinase IKK family","CK1 protein kinase CK1 family","STE protein kinase STE7 family","CAMK protein kinase PKD family","AGC protein kinase GRK family","CMGC protein kinase CDKL family","Tyrosine protei
n kinase Fak family","Tyrosine protein kinase JakA family","CMGC protein kinase RCK family","Other protein kinase NKF4 family","Other protein kinase PLK family","STE protein kinase STE11 family","CAMK
 protein kinase unique family","Tyrosine protein kinase Alk family","Other protein kinase Meta subfamily","CMGC protein kinase TAIRE subfamily","CMGC protein kinase CDC2 subfamily","AGC protein kinase
 RSK subfamily","CAMK protein kinase MNK subfamily","CMGC protein kinase PFTAIRE","STE protein kinase MST subfamily","AGC protein kinase CRIK subfamily","CAMK protein kinase NuaK subfamily","AGC prote
in kinase PKC eta subfamily","TKL protein kinase STKR Type 2 subfamily","TKL protein kinase STKR Type 1 subfamily","STE protein kinase KHS subfamily","CMGC protein kinase Dyrk1 subfamily","AGC protein
 kinase PKC delta subfamily","CMGC protein kinase ERK5","AGC protein kinase MSK subfamily","Other protein kinase PKR","CMGC protein kinase PCTAIRE","CMGC protein kinase CDK8 subfamily","TKL protein ki
nase MLK subfamily","AGC protein kinase GEK subfamily","CMGC protein kinase ERK1","CMGC protein kinase CDK7 subfamily","CMGC protein kinase CDK9 subfamily","CMGC protein kinase CDK5 subfamily","Tyrosi
ne protein kinase Srm","STE protein kinase TAO subfamily","AGC protein kinase PKC alpha subfamily","TKL protein kinase TAK1 subfamily","CK1 protein kinase CK1-a","STE protein kinase MSN subfamily","TK
L protein kinase STKR1","CMGC protein kinase JNK subfamily","AGC protein kinase GRK subfamily","CMGC protein kinase HIPK subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase ROCK subfam
ily","CMGC protein kinase MAK","STE protein kinase MEKK2","AGC protein kinase p70 subfamily","TKL protein kinase HH498 subfamily","Other protein kinase HRI","Tyrosine protein kinase Csk family","CMGC 
protein kinase SRPK family","Tyrosine protein kinase Syk family","Tyrosine protein kinase Sev family","CMGC protein kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Lipid modifying kinases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein
 kinases","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CK1: Casein kinase 1","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5
-kinase family)","Other protein kinases","TK: Tyrosine kinase","Cyclin-dependent kinase (CDK) family","CAMK2 family","RSK family","MAPK-Activated Protein Kinase (MAPKAPK) family","CLK family","STE20 f
amily","DMPK family","CAMK-like (CAMKL) family","Protein kinase C (PKC) family","TKL: Tyrosine kinase-like","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","PIM family",
"Glycogen synthase kinase (GSK) family","Mitogen-activated protein kinases (MAP kinases)","YANK family","Death-associated kinase (DAPK) family","Phosphorylase kinase (PHK) family","DCAMKL family","Pro
tein kinase N (PKN) family","Casein kinase 1 (CK1) family","STE7 family","Protein kinase D (PKD) family","G protein-coupled receptor kinases (GRKs)","Cyclin-dependent kinase-like (CDKL) family","RCK f
amily","CAMK1 family","STE11 family","CAMK-unique family","Vaccina related kinase (VRK) family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Other-unique family","Recept
or tyrosine kinases (RTKs)","CAMKK family","TAIRE subfamily","CDK1 subfamily","RSK subfamily","MKN subfamily","MST subfamily","Other DMPK family kinases","NuaK subfamily","Eta subfamily","Receptor ser
ine/threonine kinase (RSTK) family","KHS subfamily","Unc-51-like kinase (ULK) family","Interleukin-1 receptor-associated kinase (IRAK) family","Leucine-rich repeat kinase (LRRK) family","Dyrk1 subfami
ly","CDK4 subfamily","Delta subfamily","GSK subfamily","Non-receptor tyrosine kinases (nRTKs)","ERK subfamily","MSK subfamily","NAK family","PEK family","Numb-associated kinase (NAK) family","CDK8 sub
family","Mixed Lineage Kinase (MLK) family","GEK subfamily","CRK7 subfamily","CDK7 subfamily","CDK9 subfamily","CDK5 subfamily","IKK family","TAO subfamily","Erk7 subfamily","MSN subfamily","JNK subfa
mily","Opsin/rhodopsin kinases","HIPK subfamily","AMPK subfamily","Rho kinase","NKF4 family","Polo-like kinase (PLK) family","p70 subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor famil
y","Meta subfamily","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIII RTKs: Ephrin receptor family","Type II receptor ser
ine/threonine kinases","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type I receptor serine/threonine kinases","Abl family","Other PEK family kinases","MLK subfamily","Src family",
"TAK1 subfamily","Fak family","Janus kinase (JakA) family","HH498 subfamily","SRPK family","GRK4 subfamily","p38 subfamily","Csk family","Syk family","Type XVII RTKs: ROS receptors"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction",Metabolism,"Neuronal System","Gene expression (Transcription)","Immune System",Disease,"Cell Cycle","Vesicle-mediated transport",Hemostasis,"Cellular res
ponses to external stimuli","Muscle contraction","Nervous system development","Signaling by GPCR","Metabolism of carbohydrates","Transmission across Chemical Synapses","RNA Polymerase II Transcription
","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Signaling by Hippo","Signaling by Rho GTPases","Diseases of signal transduction by growth factor receptors and second messengers","Si
gnaling by NODAL","Signaling by TGFB family members","Signaling by Non-Receptor Tyrosine Kinases",Mitotic,"Intracellular signaling by second messengers","Infectious disease","Membrane Trafficking","Me
tabolism of lipids","Cell surface interactions at the vascular wall","Cellular responses to stress","Cardiac conduction","Cytokine Signaling in Immune system","Disorders of Developmental Biology","MTO
R signalling","Axon guidance","GPCR downstream signalling","Glycogen metabolism","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Toll-like Receptor C
ascades","Signaling by VEGF","RHO GTPase Effectors","Fcgamma receptor (FCGR) dependent phagocytosis","Signaling by KIT in disease","Regulation of signaling by NODAL","Signaling by BMP","Signaling by P
TK6","Mitotic G1 phase and G1/S transition","DAG and IP3 signaling","SARS-CoV Infections","Leishmania infection","Clathrin-mediated endocytosis","Influenza Infection","trans-Golgi Network Vesicle Budd
ing","Signaling by Insulin receptor","Regulation of lipid metabolism by PPARalpha","Signaling by NOTCH1 in Cancer","HIV Infection","FLT3 signaling in disease","Signaling by PDGFR in disease","M Phase"
,"Sphingolipid metabolism","Cellular Senescence","Regulation of mitotic cell cycle","Ion homeostasis","PIP3 activates AKT signaling","Signaling by Interleukins","Signaling by WNT in cancer","Interfero
n Signaling","Mitotic G2-G2/M phases","Disorders of Nervous System Development","Signaling by NTRKs","mTORC1-mediated signalling","Response of EIF2AK1 (HRI) to heme deficiency","Signaling by TGF-beta 
Receptor Complex in Cancer","Semaphorin interactions","G alpha (q) signalling events","Glycogen breakdown (glycogenolysis)","Activation of NMDA receptors and postsynaptic events","Transcriptional Regu
lation by TP53","Toll Like Receptor 5 (TLR5) Cascade","VEGFA-VEGFR2 Pathway","RHO GTPases activate CIT","Transcriptional Regulation by VENTX","EPH-Ephrin signaling","Role of phospholipids in phagocyto
sis","G alpha (z) signalling events","Drug resistance of KIT mutants","Toll Like Receptor 2 (TLR2) Cascade","PTK6 promotes HIF1A stabilization","G0 and Early G1","G1 Phase","CaM pathway","SARS-CoV-1 I
nfection","Parasite infection","G alpha (i) signalling events","L1CAM interactions","Cargo recognition for clathrin-mediated endocytosis","NS1 Mediated Effects on Host Pathways","Golgi Associated Vesi
cle Biogenesis","Insulin receptor signalling cascade","PPARA activates gene expression","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","HIV Life Cycle","Signaling by FLT3 ITD and TKD mutants",
"PTK6 Down-Regulation","RHO GTPases activate PKNs","Toll Like Receptor 4 (TLR4) Cascade","Host Interactions of HIV factors","Drug resistance of PDGFR mutants","Mitotic Metaphase and Anaphase","Sphingo
lipid de novo biosynthesis","Oxidative Stress Induced Senescence","APC/C-mediated degradation of cell cycle proteins","PTEN Regulation","Interleukin-2 family signaling","Signaling by AMER1 mutants","I
nterferon alpha/beta signaling","G2/M Transition","Pervasive developmental disorders","Signaling by NTRK1 (TRKA)","Interleukin-1 family signaling","Negative regulation of the PI3K/AKT network","Loss o
f Function of SMAD2/3 in Cancer","SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion","Gastrin-CREB signalling pathway via PKC and MAPK","Post NMDA receptor activation events","Regulati
on of TP53 Activity","MyD88 cascade initiated on plasma membrane","EPHA-mediated growth cone collapse","Dasatinib-resistant KIT mutants","Toll Like Receptor TLR6:TLR2 Cascade","Cyclin D associated eve
nts in G1","Calmodulin induced events","SARS-CoV-1 Genome Replication and Transcription","Leishmania phagocytosis","Visual phototransduction","Recycling pathway of L1","Inhibition of PKR","IRS-mediate
d signalling","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","TP53 Regulates Transcription of DNA Repair Genes","Late Phase of HIV Life Cycle","STAT5 activation downstream of FLT3 ITD mutan
ts","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","MyD88-independent TLR4 cascade","The role of Nef in HIV-1 replication and disease pathogenesis","
Imatinib-resistant PDGFR mutants","Mitotic Anaphase","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","EPHB-mediated forward signaling","Regulation of PTEN stability and 
activity","Interleukin-2 signaling","Interleukin-15 signaling","Truncations of AMER1 destabilize the destruction complex","Regulation of IFNA signaling","Sema4D in semaphorin signaling","Centrosome ma
turation","Loss of function of MECP2 in Rett syndrome","Signalling to ERKs","Interleukin-1 signaling","Signalling to ERK5",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","SMAD2/3 Phosphorylation Mot
if Mutants in Cancer","EGFR Transactivation by Gastrin","Activation of RAC1 downstream of NMDARs","Regulation of TP53 Expression and Degradation","CREB1 phosphorylation through NMDA receptor-mediated 
activation of RAS signaling","MAP kinase activation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Replication of the SARS-CoV-1 genome","FCGR3A-mediated phagocytosis","The phototransductio
n cascade","Activation of AMPK downstream of NMDARs","PI3K Cascade","Transcription of the HIV genome","Regulation of TP53 Activity through Phosphorylation","TRIF(TICAM1)-mediated TLR4 signaling","Nef-
mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Separation of Sister Chromatids","APC/C:Cdc20 mediated degradation of mitotic proteins","Sema4D induced cel
l migration and growth-cone collapse","Loss of proteins required for interphase microtubule organization from the centrosome","Loss of phosphorylation of MECP2 at T308","Signalling to RAS","Nuclear En
velope (NE) Reassembly","Regulation of TP53 Activity through Acetylation","Long-term potentiation","Regulation of TP53 Degradation","Ras activation upon Ca2+ influx through NMDA receptor","MAPK target
s/ Nuclear events mediated by MAP kinases","RSK activation",Inactivation,"recovery and regulation of the phototransduction cascade","activated TAK1 mediates p38 MAPK activation","HIV Transcription Elo
ngation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Nef Mediated CD4 Down-regulation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","APC:Cdc20 mediated degradation of cel
l cycle proteins prior to satisfation of the cell cycle checkpoint","Loss of Nlp from mitotic centrosomes","p38MAPK events","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated h
uman TAK1","Initiation of Nuclear Envelope (NE) Reformation","PI5P Regulates TP53 Acetylation","CREB phosphorylation","ERK/MAPK targets","Tat-mediated elongation of the HIV-1 transcript","Activation o
f the AP-1 family of transcription factors","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERKs are inactivated","Formation of HIV-1 elongation complex containing HIV-1 Tat","Signaling by ERB
B2","Downregulation of ERBB2 signaling","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","FCGR3A-mediated IL10 synthesis"}

> <broad_targets>
{CDK1,CDK2,CDK4,CDK5,CDK6,CDK7,CDK8,CDK9,EGFR,PYGM}

> <broad_moa>
{"CDK inhibitor"}

> <synonyms>
{426F406,J-505589,J505589,Flavopiridol,146426-40-6,146426406,"Alvocidib free base",C21H20ClNO5,"146426-40-6 (free base)","146426406 (free base)",PubChem22427,SCHEMBL3651,CHEMBL8817,SYN1040,BCPP000228,
ZINC5966679,ZINC18825325,AKOS015967288,"Flavopiridol (Alvocidib, HMR-1275)","Flavopiridol (Alvocidib, HMR1275)",BCP9000689,SB1,SY-Flavopiridol,"Flavopiridol (HMR-1275, Alvocidib, L868275)"}

> <pdid>
PD003362

> <targets>
{CDK,Apoptosis,Autophagy,HIV}

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

> <pubchem_cids>
{5459219}

$$$$
Broad_2021
  SciTegic11012413022D

 19 20  0  0  0  0            999 V2000
    6.1718    0.7439    0.0000 N   0  0
    7.0537   -0.4695    0.0000 C   0  0
    8.5454   -0.3119    0.0000 O   0  0
    6.4430   -1.8405    0.0000 N   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 S   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
    4.8054   -4.6666    0.0000 C   0  0
    6.2966   -4.8284    0.0000 N   0  0
    3.9200   -5.8774    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    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  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  5  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  7 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
M  END
> <name>
Broad_2021

> <id>
33569

> <plate>
Plate_1

> <well>
E05

> <supplier_cmpd_name>
TPCA-1

> <ctcr_id>
6789

> <supplier_cmpd_id>
TPCA-1

> <smiles>
NC(=O)Nc1sc(cc1C(N)=O)c2ccc(F)cc2

> <pd_targets>
{IKBKB,JAK2,EIF2AK2,KMT2A,MEN1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Kinase,Reader,"Protein Kinase",Bromodomain,"Other protein kinase group","TK protein kinase group","Other protein kinase IKK family","Tyrosine protein kinase JakA family"
,"Other protein kinase PEK family","Other protein kinase PKR"}

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

> <pathway_reactome>
{"Immune System","Cell Cycle",Disease,"Innate Immune System",Mitotic,"Infectious disease","Toll-like Receptor Cascades","Mitotic G1 phase and G1/S transition","Influenza Infection","Toll Like Receptor
 4 (TLR4) Cascade","G1 Phase","NS1 Mediated Effects on Host Pathways","MyD88-independent TLR4 cascade","Cyclin D associated events in G1","Inhibition of PKR","TRIF(TICAM1)-mediated TLR4 signaling","IK
K complex recruitment mediated by RIP1"}

> <broad_targets>
{IKBKB}

> <broad_moa>
{"IKK inhibitor"}

> <synonyms>
{PCA,TPCA-1,TPCA1,507475-17-4,507475174,5-(4-Fluorophenyl)-2-ureidothiophene-3-carboxamide,5(4Fluorophenyl)2ureidothiophene3carboxamide,"IKK-2 Inhibitor IV","IKK2 Inhibitor IV",2-(carbamoylamino)-5-(4
-fluorophenyl)thiophene-3-carboxamide,2(carbamoylamino)5(4fluorophenyl)thiophene3carboxamide,(5-(p-Fluorophenyl)-2-ureido)thiophene-3-carboxamide,(5(pFluorophenyl)2ureido)thiophene3carboxamide,CHEMBL2
57167,MFCD,T3049,2559,"EMD 401481",S2824,401481}

> <pdid>
PD002651

> <targets>
{IKK}

> <classes>
{}

> <pubchem_cids>
{9903786}

$$$$
Broad_2021
  SciTegic11012413022D

 23 27  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
    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
    4.0238    1.0365    0.0000 N   0  0
    4.9055    2.2500    0.0000 C   0  0
    6.3963    2.4061    0.0000 C   0  0
    7.0063    3.7764    0.0000 C   0  0
    6.1247    4.9899    0.0000 C   0  0
    4.6329    4.8331    0.0000 C   0  0
    4.0238    3.4636    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  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  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  2  0
 15  7  1  0
 15 10  1  0
  4 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  2  1  0
 23 18  1  0
M  END
> <name>
Broad_2021

> <id>
33570

> <plate>
Plate_1

> <well>
F05

> <supplier_cmpd_name>
Evodiamine

> <ctcr_id>
5277

> <supplier_cmpd_id>
Evodiamine

> <smiles>
CN1C2N(CCc3c2[nH]c4ccccc34)C(=O)c5ccccc15

> <pd_targets>
{BCHE,TRPV1}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Hydrolase,"Voltage-gated ion channel","Transient receptor potential channel"}

> <pathway_chembl>
{Enzymes,"Ion channels","Acetylcholine turnover","Voltage-gated ion channels","Transient Receptor Potential channels"}

> <pathway_reactome>
{Metabolism,"Transport of small molecules","Metabolism of lipids","Ion channel transport","Phospholipid metabolism","Stimuli-sensing channels","Glycerophospholipid biosynthesis","TRP channels","Synthe
sis of PC"}

> <broad_targets>
{TRPV1}

> <broad_moa>
{"ATPase inhibitor","TRPV agonist"}

> <synonyms>
{Isoevodiamine,(+/-)-Evodiamine,(+/)Evodiamine,5956-87-6,5956876,CHEMBL81925,518-18-3,518183,LSM-6483,LSM6483,PubChem18244,"Evodiamine, Evodia rutaecarpa",Evodiamine;,MFCD06407824,(??)-Evodiamine,(??)
Evodiamine,"Evodiamine (Isoevodiamine)",SureCN682158,AC1L9C8E,Oprea1_236793,Oprea1236793,Oprea1-236793,"Oprea1 236793",SCHEMBL139349,CHEBI,T2868,S2382,Evodiamine}

> <pdid>
PD003598

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{151289}

$$$$
Broad_2021
  SciTegic11012413022D

 34 37  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.0972    0.1560    0.0000 C   0  0  2  0  0  0
   -5.9764   -1.0603    0.0000 C   0  0
   -5.3634   -2.4303    0.0000 C   0  0
   -6.2421   -3.6460    0.0000 C   0  0
   -3.8713   -2.5839    0.0000 C   0  0
   -5.7073    1.5264    0.0000 N   0  0
   -4.8257    2.7399    0.0000 C   0  0  1  0  0  0
   -3.3339    2.5831    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -5.4358    4.1102    0.0000 C   0  0
   -4.5541    5.3237    0.0000 O   0  0
   -6.9275    4.2670    0.0000 N   0  0
   -7.8092    3.0535    0.0000 C   0  0  1  0  0  0
   -9.3015    3.2134    0.0000 C   0  0
   -9.9100    4.5853    0.0000 C   0  0
  -11.4023    4.7453    0.0000 C   0  0
  -12.2861    3.5333    0.0000 O   0  0
  -12.0108    6.1172    0.0000 O   0  0
  -13.5030    6.2772    0.0000 C   0  0
  -14.1112    7.6484    0.0000 C   0  0
  -14.9946    6.4363    0.0000 C   0  0
  -14.3868    5.0652    0.0000 C   0  0
   -7.1991    1.6831    0.0000 C   0  0
   -8.0808    0.4696    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  6
 11 12  1  0
 12 13  1  0
 12 14  1  0
 10 15  1  0
 15 16  1  0
 16 17  1  6
 17 18  1  0
 18  6  1  0
 18  9  2  0
 16 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  6
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 22 32  1  0
 32 15  1  0
 32 33  2  0
  7 34  2  0
 34  3  1  0
M  END
> <name>
Broad_2021

> <id>
33571

> <plate>
Plate_1

> <well>
G05

> <supplier_cmpd_name>
Ko 143

> <ctcr_id>
8328

> <supplier_cmpd_id>
Ko 143

> <smiles>
COc1ccc2c([nH]c3[C@H](CC(C)C)N4[C@@H](Cc23)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C4=O)c1

> <pd_targets>
{ABCG2,ABCC1,ABCB1}

> <pathway_gtopdb>
{Transporter,"Primary active transporter","ATP-binding cassette","ABCG subfamily","ABCC subfamily","ABCB subfamily"}

> <pathway_chembl>
{Transporters,"ATP-binding cassette transporter family","ABCG subfamily","ABCC subfamily","ABCB subfamily"}

> <pathway_reactome>
{Metabolism,"Abacavir transport and metabolism","Metabolism of lipids","Abacavir transmembrane transport","Fatty acid metabolism","Arachidonic acid metabolism","Synthesis of Leukotrienes (LT) and Eoxi
ns (EX)"}

> <broad_targets>
{ABCB1,ABCC1}

> <broad_moa>
{"BCRP inhibitor"}

> <synonyms>
{6105493,461054-93-3,461054933,"Ko 143",Ko-143,Ko143,"Ko143 hydrate",CHEMBL488910,LSM-6260,LSM6260,C26H35N3O5,SCHEMBL16645259,CHEBI:95026,GTPL10007,"Ko 143/Ko143",DTXSID30438079,EX-A745,EXA745,6345AB,
ABP000297,ANW-64890,ANW64890,BDBM50305083,MFCD11042273,MFCD19053160,s7043,ZINC35636075,3241}

> <pdid>
PD003379

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{10322450}

$$$$
Broad_2021
  SciTegic11012413022D

 32 37  0  0  0  0            999 V2000
    5.0187   -7.7574    0.0000 C   0  0
    5.8033   -6.4790    0.0000 C   0  0
    7.3030   -6.5094    0.0000 O   0  0
    4.3640   -6.0568    0.0000 C   0  0
    4.8099   -4.6672    0.0000 C   0  0
    6.2255   -5.0396    0.0000 C   0  0
    4.2013   -3.2954    0.0000 C   0  0
    2.7345   -2.9814    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 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
   -6.4923   -3.7525    0.0000 C   0  0
   -5.1945   -3.0005    0.0000 C   0  0
    3.9504   -0.8818    0.0000 C   0  0
    4.4160    0.5441    0.0000 C   0  0
    3.4139    1.6603    0.0000 N   0  0
    5.8837    0.8539    0.0000 N   0  0
    6.8858   -0.2623    0.0000 C   0  0
    6.4202   -1.6882    0.0000 C   0  0
    4.9525   -1.9980    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  5  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 16  1  0
 16 17  2  0
 17 18  1  0
 18 13  1  0
 18 19  2  0
 19 10  1  0
 16 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
  9 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32  7  1  0
 32 26  1  0
M  END
> <name>
Broad_2021

> <id>
33572

> <plate>
Plate_1

> <well>
H05

> <supplier_cmpd_name>
Linsitinib

> <ctcr_id>
7414

> <supplier_cmpd_id>
Linsitinib

> <smiles>
CC1(O)CC(C1)c2nc(c3ccc4ccc(nc4c3)c5ccccc5)c6c(N)nccn26

> <pd_targets>
{IGF1R,ROCK2,MAP4K5,CDC42BPA,LYN,FLT4,ERBB4,NEK2,MARK3,KDR,AURKB,LCK,ROCK1,FRK,INSR,MARK2,RET,FGFR1,MAPK9,NEK4,BLK,MAP4K2,INSRR,ABCG2,ABCB1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","AGC protein kinase group","STE protein kinase group","Other protein kinase group","CAMK protein kinase group","CMGC protein kinase group","Ty
rosine protein kinase InsR family","AGC protein kinase DMPK family","STE protein kinase STE20 family","Tyrosine protein kinase Src family","Tyrosine protein kinase VEGFR family","Tyrosine protein kina
se EGFR family","Other protein kinase NEK family","CAMK protein kinase CAMK1 family","Other protein kinase AUR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase FGFR family","CMGC 
protein kinase MAPK family","AGC protein kinase ROCK subfamily","STE protein kinase KHS subfamily","AGC protein kinase GEK subfamily","CAMK protein kinase MARK subfamily","CMGC protein kinase JNK subf
amily",Transporter,"Primary active transporter","ATP-binding cassette","ABCG subfamily","ABCB subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: 
Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TK: Tyrosine kinase","DMPK family","STE20 family","Other protein kinases","CAMK-like (CAMKL) family","Mit
ogen-activated protein kinases (MAP kinases)","Receptor tyrosine kinases (RTKs)","Rho kinase","KHS subfamily","GEK subfamily","Non-receptor tyrosine kinases (nRTKs)","NIMA (never in mitosis gene a)- r
elated kinase (NEK) family","MARK subfamily","Aurora kinase (Aur) family","JNK subfamily","Type II RTKs: Insulin receptor family","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) 
receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XIV RTKs: RET","Type V RTKs: FGF (fibroblast growth factor) receptor family",Transporters,"ATP-binding cassette tra
nsporter family","ABCG subfamily","ABCB subfamily"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology",Disease,"Neuronal System","Cell Cycle","Immune System","Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","Nervous system develop
ment","Infectious disease","Transmission across Chemical Synapses",Mitotic,"Diseases of signal transduction by growth factor receptors and second messengers","Intracellular signaling by second messeng
ers","Innate Immune System","RNA Polymerase II Transcription","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Axon guidance","Leishmania infection","Signaling by VEGF","Neurotrans
mitter receptors and postsynaptic signal transmission","Regulation of mitotic cell cycle","Oncogenic MAPK signaling","M Phase","HIV Infection","PIP3 activates AKT signaling","Signaling by FGFR in dise
ase","Toll-like Receptor Cascades","Generic Transcription Pathway","IGF1R signaling cascade","Semaphorin interactions","Leishmania parasite growth and survival","VEGF ligand-receptor interactions","Ac
tivation of NMDA receptors and postsynaptic events","APC/C-mediated degradation of cell cycle proteins","Signaling by RAS mutants","VEGFA-VEGFR2 Pathway","Mitotic Metaphase and Anaphase","Host Interac
tions of HIV factors","PTEN Regulation","Negative regulation of the PI3K/AKT network","RET signaling","Signaling by FGFR1 in disease","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation 
by RUNX1","IRS-related events triggered by IGF1R","Sema4D in semaphorin signaling","Anti-inflammatory response favouring Leishmania parasite infection","VEGF binds to VEGFR leading to receptor dimeriz
ation","Post NMDA receptor activation events","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Signaling downstream of RAS mutants","VEGFR2 mediated cell proliferation",
"Mitotic Anaphase","The role of Nef in HIV-1 replication and disease pathogenesis","Regulation of PTEN stability and activity",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","FGFR1 mutant receptor a
ctivation","MyD88 cascade initiated on plasma membrane","RUNX1 regulates transcription of genes involved in BCR signaling","Sema4D induced cell migration and growth-cone collapse","FCGR3A-mediated IL1
0 synthesis","Long-term potentiation","APC/C:Cdc20 mediated degradation of mitotic proteins","Separation of Sister Chromatids","Nef-mediates down modulation of cell surface receptors by recruiting the
m to clathrin adapters","Signaling by activated point mutants of FGFR1","MAP kinase activation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint
","Nef Mediated CD4 Down-regulation","MAPK targets/ Nuclear events mediated by MAP kinases","APC-Cdc20 mediated degradation of Nek2A","Activation of the AP-1 family of transcription factors",Metabolis
m,"Abacavir transport and metabolism","Abacavir transmembrane transport"}

> <broad_targets>
{IGF1R,INSR,INSRR}

> <broad_moa>
{"IGF-1 inhibitor"}

> <synonyms>
{"SI906 (LINSITINIB","SI 906 (LINSITINIB",Linsitinib,867160-71-2,867160712,"867160 71 2",OSI-906,OSI906,"OSI 906",Linsitinib(OSI-906),Linsitinib(OSI906),"Linsitinib(OSI 906)","OSI-906 (Linsitinib)","O
SI906 (Linsitinib)","OSI 906 (Lin",S1091}

> <pdid>
PD003549

> <targets>
{IGF-1R}

> <classes>
{}

> <pubchem_cids>
{11640390}

$$$$
Broad_2021
  SciTegic11012413022D

 34 38  0  0  0  0            999 V2000
    1.2636   -2.2496    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.5801    0.0303    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 N   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.4995    3.7442    0.0000 C   0  0
   -7.7974    2.9921    0.0000 C   0  0
   -7.7950    1.4922    0.0000 C   0  0
   -6.4947    0.7442    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8963   -3.7531    0.0000 C   0  0
   -5.1966   -3.0054    0.0000 O   0  0
   -3.8941   -5.2539    0.0000 N   0  0
   -5.1923   -6.0070    0.0000 C   0  0
   -5.1924   -7.5071    0.0000 C   0  0
   -6.4914   -8.2571    0.0000 C   0  0
   -7.7905   -7.5071    0.0000 C   0  0
   -7.7905   -6.0071    0.0000 C   0  0
   -6.4915   -5.2571    0.0000 C   0  0
   -9.0917   -8.2549    0.0000 C   0  0
   -9.0943   -9.7549    0.0000 O   0  0
  -10.3897   -7.5031    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  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 10  1  0
 15 16  2  0
 16  7  1  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  2  1  0
 22 17  1  0
 19 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 29 32  1  0
 32 33  1  0
 32 34  2  0
M  END
> <name>
Broad_2021

> <id>
33573

> <plate>
Plate_1

> <well>
I05

> <supplier_cmpd_name>
BMS 195614

> <ctcr_id>
8324

> <supplier_cmpd_id>
BMS 195614

> <smiles>
CC1(C)CC=C(c2cnc3ccccc3c2)c4cc(ccc14)C(=O)Nc5ccc(cc5)C(O)=O

> <pd_targets>
{RARA}

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

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1B. Retinoic acid receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Post-translational protein modification",SUMOylation,"SUMO E3 ligases SUMOylate target proteins","SUMOylation of intracellular receptors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BMS614,"BMS 195614",253310-42-8,253310428,"BMS 614",BMS-614,182135-66-6,182135666,BMS195614,BMS-195614,GTPL2643,SCHEMBL6756065,CHEMBL2385269,BDBM36811,CHEBI:132571,ZINC1893319,AKOS024457734,CID:44509
1,NCGC00370906-01,NCGC0037090601,NCGC00370906-03,NCGC0037090603,"BMS-195614, >=97 (HPLC)","BMS195614, >=97 (HPLC)",J-015939,J015939,3660}

> <pdid>
PD003651

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{445091}

$$$$
Broad_2021
  SciTegic11012413022D

 34 37  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.5205    6.1100    0.0000 C   0  0
   -2.0570    7.5366    0.0000 C   0  0
   -2.9352    8.7505    0.0000 N   0  0
   -2.3228   10.1207    0.0000 C   0  0
   -0.8307   10.2749    0.0000 O   0  0
   -3.2024   11.3367    0.0000 C   0  0
   -2.5923   12.7071    0.0000 C   0  0
   -3.4740   13.9207    0.0000 C   0  0
   -4.9658   13.7639    0.0000 C   0  0
   -5.5759   12.3936    0.0000 C   0  0
   -4.6943   11.1801    0.0000 C   0  0
   -5.8479   14.9781    0.0000 N   0  0
   -5.2400   16.3494    0.0000 C   0  0
   -6.1235   17.5616    0.0000 C   0  0
   -5.5155   18.9329    0.0000 C   0  0
   -7.6151   17.4025    0.0000 N   0  0
   -8.2230   16.0312    0.0000 C   0  0
   -9.7146   15.8721    0.0000 C   0  0
   -7.3395   14.8191    0.0000 C   0  0
   -0.5570    7.5366    0.0000 N   0  0
   -0.0935    6.1100    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0031    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 20  1  0
 10 28  2  0
 28 29  1  0
 29  8  1  0
  5 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 31 34  2  0
 34  3  1  0
M  END
> <name>
Broad_2021

> <id>
33574

> <plate>
Plate_1

> <well>
J05

> <supplier_cmpd_name>
AZD4547

> <ctcr_id>
7249

> <supplier_cmpd_id>
AZD4547

> <smiles>
COc1cc(CCc2cc(NC(=O)c3ccc(cc3)N4CC(C)NC(C)C4)n[nH]2)cc(OC)c1

> <pd_targets>
{FGFR1,FGFR2,FGFR4,FGFR3,KDR,AURKA,IGF1R}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","Tyrosine protein kinase FGFR family","Tyrosine protein kinase VEGFR family","Other protein kinase AUR family","T
yrosine protein kinase InsR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Other protein kinases","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) family","Type V RTKs: FGF (fibroblast growth f
actor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Gene expression (Transcription)","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","RNA Polyme
rase II Transcription","Signaling by FGFR in disease","Signaling by FGFR","Signaling by VEGF","Generic Transcription Pathway","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Signa
ling by FGFR1 in disease","Signaling by FGFR2 in disease","Signaling by FGFR4","Signaling by FGFR3 in disease","VEGFA-VEGFR2 Pathway","Transcriptional Regulation by TP53","IGF1R signaling cascade","FG
FR1 mutant receptor activation","FGFR2 mutant receptor activation","Downstream signaling of activated FGFR4","Signaling by FGFR3 point mutants in cancer","VEGFR2 mediated cell proliferation","Regulati
on of TP53 Activity","IRS-related events triggered by IGF1R","Signaling by activated point mutants of FGFR1","Activated point mutants of FGFR2","FRS-mediated FGFR4 signaling","FGFR3 mutant receptor ac
tivation","Regulation of TP53 Activity through Phosphorylation","Signaling by activated point mutants of FGFR3"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AZD4547,1035270-39-3,1035270393,AZD-4547,"AZD 4547",UNII-2167OG1EKJ,UNII2167OG1EKJ,2167OG1EKJ,CHEBI:63453,66T,KB-74810,KB74810,Tube729,SCHEMBL63884,GTPL7707,QCR-89,QCR89,SCHEMBL15250892,DTXSID8014588
7,AMY16612,AOB87745,EX-A1578,EXA1578,2240AH,ABP000893,MFCD22580423,NSC764239,NSC765338,NSC799346,T1948,13111,S2801}

> <pdid>
PD003475

> <targets>
{FGFR}

> <classes>
{}

> <pubchem_cids>
{51039095}

$$$$
Broad_2021
  SciTegic11012413022D

 34 37  0  0  0  0            999 V2000
    6.5271   -5.6548    0.0000 C   0  0
    5.1017   -6.1219    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    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
    2.6747   -6.1134    0.0000 C   0  0
    3.1332   -7.5416    0.0000 C   0  0
    4.6332   -7.5468    0.0000 C   0  0
    5.5071   -8.7638    0.0000 C   0  0
    6.9997   -8.6148    0.0000 O   0  0
    4.8900  -10.1319    0.0000 N   0  0
    5.7654  -11.3509    0.0000 C   0  0
    5.1505  -12.7192    0.0000 C   0  0
    6.0279  -13.9358    0.0000 C   0  0
    7.5202  -13.7842    0.0000 C   0  0
    8.1352  -12.4161    0.0000 C   0  0
    7.2578  -11.1994    0.0000 C   0  0
    9.6283  -12.2644    0.0000 C   0  0
   10.5065  -13.4805    0.0000 F   0  0
   10.2428  -10.8961    0.0000 F   0  0
   11.1206  -12.1122    0.0000 F   0  0
    1.2518   -5.6362    0.0000 C   0  0
    0.8403   -4.1992    0.0000 C   0  0
   -0.6152   -3.8367    0.0000 C   0  0
   -1.6569   -4.9160    0.0000 C   0  0
   -1.2431   -6.3578    0.0000 C   0  0
    0.2124   -6.7203    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  1  0
  3 13  1  0
 13 14  2  0
 14 15  1  0
 15  2  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 13 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 29  1  0
M  END
> <name>
Broad_2021

> <id>
33575

> <plate>
Plate_1

> <well>
K05

> <supplier_cmpd_name>
HC 067047

> <ctcr_id>
8349

> <supplier_cmpd_id>
HC 067047

> <smiles>
Cc1n(CCCN2CCOCC2)c(cc1C(=O)Nc3cccc(c3)C(F)(F)F)c4ccccc4

> <pd_targets>
{TRPV4}

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

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Transient Receptor Potential channels"}

> <pathway_reactome>
{"Transport of small molecules","Ion channel transport","Stimuli-sensing channels","TRP channels"}

> <broad_targets>
{TRPV4}

> <broad_moa>
{"transient receptor potential channel antagonist"}

> <synonyms>
{C06704,HC-067047,HC067047,883031-03-6,883031036,"HC 067047",CHEMBL2133556,MLS006012019,GTPL4213,SCHEMBL15375795,AOB5050,DTXSID70372463,"ONC 212",HMS3743C07,BCP34020,BDBM50192821,MFCD01571257,s6637,ZI
NC20224140,AKOS024457974,CCG-254836,CCG254836,CS-5701,CS5701,MCULE-2422761478,MCULE2422761478,NC,T4680,4100}

> <pdid>
PD003568

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2742550}

$$$$
Broad_2021
  SciTegic11012413022D

 25 28  0  0  0  0            999 V2000
   -3.7793  -11.3955    0.0000 O   0  0
   -4.2401   -9.9681    0.0000 C   0  0
   -5.7077   -9.6537    0.0000 N   0  0
   -6.7155  -10.7648    0.0000 C   0  0
   -8.1816  -10.4476    0.0000 C   0  0
   -8.6399   -9.0193    0.0000 N   0  0
   -7.6322   -7.9083    0.0000 C   0  0
   -6.1661   -8.2254    0.0000 C   0  0
   -3.2334   -8.8550    0.0000 C   0  0
   -1.7662   -9.1671    0.0000 C   0  0
   -0.7624   -8.0525    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6928   -6.3138    0.0000 C   0  0
   -3.6967   -7.4283    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  2  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 15  2  0
 23 18  1  0
 12 24  1  0
 24 25  2  0
 25  9  1  0
M  END
> <name>
Broad_2021

> <id>
33576

> <plate>
Plate_1

> <well>
L05

> <supplier_cmpd_name>
KW-2449

> <ctcr_id>
6245

> <supplier_cmpd_id>
KW-2449

> <smiles>
O=C(N1CCNCC1)c2ccc(C=Cc3[nH]nc4ccccc34)cc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{ABL1,AURKA,AURKB,FLT3}

> <broad_moa>
{"Abl kinase inhibitor","Aurora kinase inhibitor","FLT3 inhibitor"}

> <synonyms>
{(E)-(4-(2-(1H-Indazol-3-yl)vinyl)-phenyl)(piperazin-1-yl)methanone,(E)(4(2(1HIndazol3yl)vinyl)phenyl)(piperazin1yl)methanone,(4-(2-(1H-indazol-3-yl)ethenyl)phenyl)-(1-piperazinyl)methanone,(4(2(1Hind
azol3yl)ethenyl)phenyl)(1piperazinyl)methanone,CHEMBL3184303,HMS3655N04,HMS3672K17,AKOS026750435,NCGC00346569-01,NCGC0034656901,DB-058275,DB058275,FT-0771733,FT0771733,Q27163287,(4-(2-(1H-indazol-3-y,
(4(2(1Hindazol3y,S2158,"KW 2449",KW-2449}

> <pdid>

> <targets>
{FLT3,Bcr-Abl,FLT-3,"Aurora Kinase"}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{67089852}

$$$$
Broad_2021
  SciTegic11012413022D

 25 27  0  0  0  0            999 V2000
    9.0829   -8.2795    0.0000 C   0  0
    7.7876   -7.5231    0.0000 C   0  0
    7.7954   -6.0231    0.0000 C   0  0
    6.4837   -8.2663    0.0000 C   0  0
    6.4785   -9.7663    0.0000 C   0  0
    5.1769  -10.5118    0.0000 C   0  0
    3.8804   -9.7573    0.0000 C   0  0
    3.8856   -8.2573    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 O   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
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  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
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 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 16  1  0
M  END
> <name>
Broad_2021

> <id>
33577

> <plate>
Plate_1

> <well>
M05

> <supplier_cmpd_name>
JW 480

> <ctcr_id>
8339

> <supplier_cmpd_id>
JW 480

> <smiles>
CC(C)c1ccccc1OC(=O)NCCc2ccc3ccccc3c2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"JW 480",1354359-53-7,1354359537,JW-480,JW480,"(2-propan-2-ylphenyl) N-(2-naphthalen-2-ylethyl)carbamate","(2propan2ylphenyl) N(2naphthalen2ylethyl)carbamate","2-isopropylphenyl (2-(naphthalen-2-yl)e
thyl)carbamate","2isopropylphenyl (2(naphthalen2yl)ethyl)carbamate",SCHEMBL4433152,HMS3740A07,ZINC71746265,AKOS024458096,NCGC00387165-01,NCGC0038716501,J-006696,J006696,2-Isopropylphenyl(2-(na,2Isopro
pylphenyl(2(na,4327}

> <pdid>
PD003291

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{57330099}

$$$$
Broad_2021
  SciTegic11012413022D

 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
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -7.8059    2.9863    0.0000 O   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 C   0  0
  -10.3884   -1.5226    0.0000 O   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
   -5.1923   -1.5047    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 10  1  0
 17 18  1  0
  5 19  1  0
 19 20  2  0
 20  2  1  0
M  END
> <name>
Broad_2021

> <id>
33578

> <plate>
Plate_1

> <well>
N05

> <supplier_cmpd_name>
Phloretin

> <ctcr_id>
5008

> <supplier_cmpd_id>
Phloretin

> <smiles>
Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1

> <pd_targets>
{KMT2A,MEN1,MAPT,SLC23A1,HPGD,CYP2D6,CYP2C9,CYP2C19,PMP22,FFP,LEF,POLB,SLC5A1,HSD17B10,RECQL,TSHR,ALDH1A1,CYP3A4,MAPK1,LMNA,NS1,ATM,CYP1A2,STK33,PNLIP,THRB,KDM4E,ESR1,RORC,GAA,SLC16A7,SLC2A1,NFKB1,NFK
B2,RELA,SLC16A1,SLC16A3,SLC28A3,SLC5A2,CLCN3,AQP9}

> <pathway_gtopdb>
{"Epigenetic regulator","Other cytosolic protein",Enzyme,"Unclassified protein",Transporter,"Membrane receptor","Other nuclear protein","Transcription factor","Ion channel",Reader,"Cytochrome P450",Tr
ansferase,Protease,"Electrochemical transporter",Oxidoreductase,"Family A G protein-coupled receptor",Kinase,Hydrolase,"Nuclear receptor",Eraser,"Other ion channel",Bromodomain,"Cytochrome P450 family
 2","Metallo protease","SLC superfamily of solute carriers","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Protein Kinase","Cytochrome P450 family 1","Nuclear hormone receptor subfamil
y 1","Lysine demethylase","Nuclear hormone receptor subfamily 3","Chloride channel","Cytochrome P450 family 2D","Cytochrome P450 family 2C","Metallo protease MAE clan","SLC05 family of sodium-dependen
t glucose transporters","Glycohormone receptor","Cytochrome P450 family 3A","CMGC protein kinase group","Atypical protein kinase group","Cytochrome P450 family 1A","CAMK protein kinase group","Nuclear
 hormone receptor subfamily 1 group A","Jumonji domain-containing","Nuclear hormone receptor subfamily 3 group A","Nuclear hormone receptor subfamily 1 group F","SLC16 family of monocarboxylate transp
orters","SLC02 family of hexose and sugar alcohol transporters","SLC28 and SLC29 families of nucleoside transporters","ClC chloride channel","Cytochrome P450 2D6","Cytochrome P450 2C9","Cytochrome P45
0 2C19","Metallo protease M34 family","Cytochrome P450 3A4","CMGC protein kinase MAPK family","Atypical protein kinase PIKK family","Cytochrome P450 1A1","CAMK protein kinase unique family","Nuclear h
ormone receptor subfamily 1 group A member 2","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamily 1 group F member 3","SLC28 Na+-coupled nucleoside transport fa
mily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Transporters,Enzymes,Receptors,"Ion channels","SLC superfamily of solute carriers","Chromatin modifying enzymes","Eicosanoid turnover","Cytochrome P450","G protein-coupled receptors","Kinases (EC 2.7
.x.x)",Hydrolases,"Nuclear hormone receptors","3.2.1.- Glycosidases","Other ion channels","SLC23 family of ascorbic acid transporters","2.1.1.43 Histone methyltransferases (HMTs)","Prostaglandin synth
ases","CYP2 family: drug metabolising subset","SLC5 family of sodium-dependent glucose transporters","Glycoprotein hormone receptors","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Atyp
ical,"CYP1 family","CAMK: Calcium/calmodulin-dependent protein kinases","1A. Thyroid hormone receptors","1.14.11.- Histone demethylases","Steroid hormone receptors","1F. Retinoic acid-related orphans"
,"SLC2 family of hexose and sugar alcohol transporters","SLC16 family of monocarboxylate transporters","SLC28 and SLC29 families of nucleoside transporters","Chloride channels",Aquaporins,"Hexose tran
sporter family","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","CAMK-unique family","3A. Estrogen receptors","Class I transporters","
SLC28 family","ClC family","ERK subfamily","Other PIKK family kinases"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Gene expression (Transcription)","Developmental Biology",Disease,"DNA Repair","Immune System","Cell Cycle","Metabolism of proteins","Transport of small molecules","Trans
mission across Chemical Synapses","Metabolism of vitamins and cofactors","RNA Polymerase II Transcription","Metabolism of lipids","Biological oxidations","Nervous system development","Infectious disea
se","Base Excision Repair","Disorders of transmembrane transporters","Metabolism of amino acids and derivatives","Innate Immune System",Mitotic,"Cell Cycle Checkpoints","Post-translational protein mod
ification","Diseases of metabolism","The citric acid (TCA) cycle and respiratory electron transport","SLC-mediated transmembrane transport","Ion channel transport","Aquaporin-mediated transport","Neur
otransmitter receptors and postsynaptic signal transmission","Metabolism of water-soluble vitamins and cofactors","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (S
PMs)","Phase I - Functionalization of compounds","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Uptake and actions of bacterial toxins","Resolution of Abasic Sites (AP sites)","SLC 
transporter disorders","Branched-chain amino acid catabolism","Leishmania infection","Toll-like Receptor Cascades","M Phase","G1/S DNA Damage Checkpoints","Metabolism of fat-soluble vitamins",SUMOylat
ion,"Diseases of carbohydrate metabolism","Pyruvate metabolism and Citric Acid (TCA) cycle","Transport of vitamins",nucleosides,"and related molecules","Stimuli-sensing channels","Passive transport by
 Aquaporins","Activation of NMDA receptors and postsynaptic events","Vitamin C (ascorbate) metabolism","Transcriptional regulation by RUNX1","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arran
ged by substrate type","Uptake and function of anthrax toxins","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Defective SLC5A1 causes congenital glucose/galactose mala
bsorption (GGM)","Leishmania parasite growth and survival","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Metaphase and Anaphase","p53-Dependent G1/S DNA damage checkpoint","Retino
id metabolism and transport","SUMO E3 ligases SUMOylate target proteins","Transcriptional regulation by RUNX3","Glycogen storage diseases","Defective SLC2A1 causes GLUT1 deficiency syndrome 1 (GLUT1DS
1)","Defective SLC16A1 causes symptomatic deficiency in lactate transport (SDLT)","Pyruvate metabolism","Transport of nucleosides and free purine and pyrimidine bases across the plasma membrane","Defe
ctive SLC5A2 causes renal glucosuria (GLYS1)","Post NMDA receptor activation events","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Biosynthesis of D-series r
esolvins",Xenobiotics,"PCNA-Dependent Long Patch Base Excision Repair","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresins","MyD88 cascade initiated on plasm
a membrane","Mitotic Anaphase","p53-Dependent G1 DNA Damage Response","SUMOylation of intracellular receptors","RUNX1 regulates estrogen receptor mediated transcription","RUNX3 Regulates Immune Respon
se and Cell Migration","Glycogen storage disease type II (GAA)","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of 
maresin-like SPMs","MAP kinase activation","Nuclear Envelope (NE) Reassembly","Stabilization of p53","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAPK targets/ Nuclear events me
diated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{AQP9,CLCN3,SLC23A1}

> <broad_moa>
{"sodium/glucose cotransporter inhibitor"}

> <synonyms>
{60-82-2,60822,Dihydronaringenin,Phloretol,"3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one","3(4Hydroxyphenyl)1(2,4,6trihydroxyphenyl)propan1one","3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyph
enyl)-1-propanone","3(4Hydroxyphenyl)1(2,4,6trihydroxyphenyl)1propanone",MFCD00002288,"1-Propanone, 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)-","1Propanone, 3(4hydroxyphenyl)1(2,4,6trihydroxyphen
yl)",T2924,P7912,300554,Phloretin,PHLORETIN,phloretin}

> <pdid>
PD002003

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4788}

$$$$
Broad_2021
  SciTegic11012413022D

 30 32  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -3.9005    5.2525    0.0000 C   0  0
   -5.1984    6.0044    0.0000 C   0  0
   -5.1963    7.5044    0.0000 C   0  0
   -3.8963    8.2525    0.0000 C   0  0
   -2.5983    7.5007    0.0000 C   0  0
   -2.6004    6.0007    0.0000 C   0  0
   -3.8911    9.7534    0.0000 C   0  0
   -5.1878   10.5074    0.0000 O   0  0
   -2.5892   10.5001    0.0000 N   0  0
   -2.5840   12.0009    0.0000 C   0  0
   -1.2839   12.7492    0.0000 C   0  0
   -1.2818   14.2492    0.0000 C   0  0
   -2.5798   15.0010    0.0000 C   0  0
   -3.8799   14.2529    0.0000 N   0  0
   -3.8820   12.7529    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  END
> <name>
Broad_2021

> <id>
33579

> <plate>
Plate_1

> <well>
O05

> <supplier_cmpd_name>
STF 31

> <ctcr_id>
8318

> <supplier_cmpd_id>
STF 31

> <smiles>
CC(C)(C)c1ccc(cc1)[S](=O)(=O)NCc2ccc(cc2)C(=O)Nc3cccnc3

> <pd_targets>
{NAMPT}

> <pathway_gtopdb>
{Enzyme}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Metabolism of vitamins and cofactors","Metabolism of water-soluble vitamins and cofactors","Nicotinate metabolism","Nicotinamide salvaging"}

> <broad_targets>
{NAMPT,SLC2A1}

> <broad_moa>
{"NAMPT inhibitor"}

> <synonyms>
{STF31,724741-75-7,724741757,"STF 31",CHEMBL3105156,4-((((4-Tert-Butylphenyl)sulfonyl)amino)methyl)-N-(Pyridin-3-Yl)benzamide,4((((4TertButylphenyl)sulfonyl)amino)methyl)N(Pyridin3Yl)benzamide,4-(((4-
(tert-butyl)phenyl)sulfonamido)methyl)-N-(pyridin-3-yl)benzamide,4(((4(tertbutyl)phenyl)sulfonamido)methyl)N(pyridin3yl)benzamide,4-(((4-tert-butylphenyl)sulfonylamino)methyl)-N-pyridin-3-y,4(((4tertb
utylphenyl)sulfonylamino)methyl)Npyridin3y,T2363,4484,STF-31}

> <pdid>
PD003497

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{984333}

$$$$
Broad_2021
  SciTegic11012413022D

 13 13  0  0  0  0            999 V2000
    5.5018   -3.1369    0.0000 C   0  0
    4.0102   -3.2959    0.0000 N   0  0
    3.4025   -4.6673    0.0000 C   0  0
    3.1255   -2.0835    0.0000 N   0  0
    1.6332   -2.2426    0.0000 N   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6332   -2.2426    0.0000 C   0  0
   -1.0255   -3.6140    0.0000 N   0  0
   -3.1247   -2.0836    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  3
  8  9  1  0
  9 10  2  3
 10  6  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
M  END
> <name>
Broad_2021

> <id>
33580

> <plate>
Plate_1

> <well>
P05

> <supplier_cmpd_name>
Dacarbazine

> <ctcr_id>
7962

> <supplier_cmpd_id>
Dacarbazine

> <smiles>
CN(C)N\N=C\1N=CN=C1C(N)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{S1221,NSC45388,dacarbazine}

> <pdid>
PD047701

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5351166}

$$$$
Broad_2021
  SciTegic11012413022D

 29 31  0  0  0  0            999 V2000
    4.2442   -9.8355    0.0000 C   0  0
    3.6391   -8.4629    0.0000 O   0  0
    4.5250   -7.2514    0.0000 C   0  0
    3.9195   -5.8781    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
    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
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    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
    8.8671    7.0482    0.0000 Cl  0  0
    6.1382    2.3782    0.0000 C   0  0
    5.7171    0.9385    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10  6  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 11  1  0
  8 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 22 28  1  0
 28 29  2  0
 29 19  1  0
M  END
> <name>
Broad_2021

> <id>
33581

> <plate>
Plate_1

> <well>
A06

> <supplier_cmpd_name>
MI 2 (MALT1 inhibitor)

> <ctcr_id>
13477

> <supplier_cmpd_id>
MI 2 (MALT1 inhibitor)

> <smiles>
COCCOc1nn(c(n1)c1cc(Cl)c(Cl)cc1)c1ccc(NC(=O)CCl)cc1

> <pd_targets>
{MALT1}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{"Other protein targets","Immunoglobulin like domain containing proteins"}

> <pathway_reactome>
{"Immune System","Adaptive Immune System","Signaling by the B Cell Receptor (BCR)","Downstream signaling events of B Cell Receptor (BCR)","Activation of NF-kappaB in B cells"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1047953-91-2,1047953912,"MI-2 (MALT1 inhibitor)","MI2 (MALT1 inhibitor)","MI 2 MALT1 inhibitor","MI 2 (MALT1 inhibitor)","MALT1 inhibitor MI-2","MALT1 inhibitor MI2","MALT1(inhibitor MI-2)","MALT1(in
hibitor MI2)",CHEMBL3183233,"MALT1 inhibitor",MLS006010248,C19H17Cl3N4O3,SCHEMBL17190826,HMS3653O22,ABM-3912,ABM3912,BC,T2350}

> <pdid>
PD010319

> <targets>
{MALT1}

> <classes>
{Immunology/Inflammation}

> <pubchem_cids>
{45942672}

$$$$
Broad_2021
  SciTegic11012413022D

 17 19  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.6837   -4.3363    0.0000 C   0  0
   -4.1755   -4.1795    0.0000 C   0  0
   -4.7856   -2.8092    0.0000 C   0  0
   -6.2774   -2.6524    0.0000 Cl  0  0
   -3.9040   -1.5957    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17  8  1  0
 17 11  1  0
M  END
> <name>
Broad_2021

> <id>
33582

> <plate>
Plate_1

> <well>
B06

> <supplier_cmpd_name>
Selisistat

> <ctcr_id>
5955

> <supplier_cmpd_id>
Selisistat

> <smiles>
NC(=O)C1CCCc2c1[nH]c3ccc(Cl)cc23

> <pd_targets>
{SIRT1,SIRT2,SIRT3,HST2}

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

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

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

> <broad_targets>
{SIRT1}

> <broad_moa>
{"SIRT inhibitor"}

> <synonyms>
{49843-98-3,49843983,Selisistat,"6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide","6chloro2,3,4,9tetrahydro1Hcarbazole1carboxamide",EX-527,EX527,"EX 527",SEN0014196,"SIRT1 Inhibitor III","EX 52
7 (Selisistat)","EX-527 (S-enantiomer)","EX527 (Senantiomer)",CHEMBL420311,CHEBI:90369,"Selisistat S-enantiomer","Selisistat Senantiomer",1H-Carbazole-1-ca,1HCarbazole1ca,T6111,S1541,"EX 527 (Selisist
at)"}

> <pdid>
PD003330

> <targets>
{Sirtuin}

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

> <pubchem_cids>
{5113032}

$$$$
Broad_2021
  SciTegic11012413022D

 31 35  0  0  0  0            999 V2000
    7.7938   -3.0046    0.0000 C   0  0
    6.4946   -3.7543    0.0000 N   0  0
    6.4949   -5.2543    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
    3.8919   -5.2525    0.0000 Br  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2990   -3.7500    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5627   -4.4996    0.0000 C   0  0
   -3.8791   -2.2197    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
  7 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 16  1  0
 21 22  2  0
 22 13  1  0
 22 23  1  0
 23 24  2  3
 24 11  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 31 23  1  0
M  END
> <name>
Broad_2021

> <id>
33583

> <plate>
Plate_1

> <well>
C06

> <supplier_cmpd_name>
968

> <ctcr_id>
8322

> <supplier_cmpd_id>
968

> <smiles>
CN(C)c1ccc(cc1Br)C2Nc3ccc4ccccc4c3C5=C2C(=O)CC(C)(C)C5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"LUTAMINASE CIN","Glutaminase C-IN-1","Glutaminase CIN1",311795-38-7,311795387,"Compound 968",CHEBI:60279,GLS-IN-968,GLSIN968,"GAC Inhibitor 968",MLS006011732,SCHEMBL2635251,CHEMBL2133369,DTXSID90389
215,GLS-968,GLS968,HMS3865C03,BCP18024,EX-A2335,EXA2335,"Glutaminase C-IN-1; Compound 968","Glutaminase CIN1; Compound 968",QC-219,QC219,AKOS000,T3964,5460,968}

> <pdid>
PD003685

> <targets>
{Glutaminase}

> <classes>
{Metabolic Enzyme/Protease}

> <pubchem_cids>
{3099980}

$$$$
Broad_2021
  SciTegic11012413022D

 42 48  0  0  1  0            999 V2000
    2.6018   -5.9994    0.0000 C   0  0
    3.9008   -5.2492    0.0000 O   0  0
    3.9014   -3.7484    0.0000 C   0  0
    2.6012   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8967   -0.7484    0.0000 C   0  0
    5.1969   -1.4963    0.0000 C   0  0
    6.4939   -0.7411    0.0000 O   0  0
    6.4894    0.7589    0.0000 C   0  0
    5.1993   -2.9963    0.0000 C   0  0
    6.4995   -3.7442    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.3114    2.9665    0.0000 C   0  0
    1.8032    3.1233    0.0000 O   0  0
    2.4133    1.7530    0.0000 C   0  0
    3.8805    1.4410    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -1.2935    3.7495    0.0000 O   0  0
   -1.2883    5.2495    0.0000 C   0  0
    0.0133    5.9950    0.0000 C   0  0
    0.0185    7.4950    0.0000 O   0  0
   -1.2780    8.2495    0.0000 C   0  0
   -1.2728    9.7495    0.0000 C   0  0
   -2.5796    7.5040    0.0000 O   0  0
   -2.5848    6.0040    0.0000 C   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -5.1828    6.0129    0.0000 O   0  0
   -3.8915    3.7585    0.0000 C   0  0
   -5.1932    3.0130    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.7124   -4.0030    0.0000 O   0  0
   -3.1022   -5.3733    0.0000 C   0  0
   -1.6105   -5.2165    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10  3  1  0
 10 11  1  0
 12  5  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  1
 15 16  1  0
 16 17  1  0
 13 17  1  6
 17 18  2  0
 14 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 23  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 21  1  0
 32 33  1  0
 19 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 36  2  0
 40 41  1  0
 41 42  2  0
 42 12  1  0
 42 34  1  0
M  END
> <name>
Broad_2021

> <id>
33584

> <plate>
Plate_1

> <well>
D06

> <supplier_cmpd_name>
Etoposide

> <ctcr_id>
4351

> <supplier_cmpd_id>
Etoposide

> <smiles>
COc1cc(cc(OC)c1O)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](OC4OC5COC(C)OC5C(O)C4O)c6cc7OCOc7cc26

> <pd_targets>
{TOP2A,ALOX15,TOP2B,SLCO1B3,NCOA1,LMP1,NCOA3,BLM,LMNA,GAA,RECQL,PMP22,POLB,GMNN,APEX1,NPSR1,NFO,MTOR,KMT2A,MEN1,RORC}

> <pathway_gtopdb>
{Enzyme,Transporter,"Epigenetic regulator","Unclassified protein","Other nuclear protein","Membrane receptor","Transcription factor",Isomerase,Oxidoreductase,"Electrochemical transporter",Writer,Hydro
lase,"Family A G protein-coupled receptor",Kinase,Reader,"Nuclear receptor","SLC superfamily of solute carriers","Histone acetyltransferase","Peptide receptor (family A GPCR)","Protein Kinase",Bromodo
main,"Nuclear hormone receptor subfamily 1","SLC21/SLCO family of organic anion transporting polypeptides","SRC family","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Nuclea
r hormone receptor subfamily 1 group F","Neuropeptide receptor","Atypical protein kinase PIKK family","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"DNA topoisomerases","Eicosanoid turnover","SLC superfamily of solute carriers","Chromatin modifying enzymes","3.2.1.- Glycosidases","G protein-coupled receptors","Kina
ses (EC 2.7.x.x)","Nuclear hormone receptors",Lipoxygenases,"SLCO family of organic anion transporting polypeptides","2.3.1.48 Histone acetyltransferases (HATs)","Neuropeptide S receptor",Atypical,"1F
. Retinoic acid-related orphans","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,"Metabolism of proteins","DNA Repair",Disease,"Developmental Biology","Gene expression (Transcription)",Mitotic,"Metabolism of lipids","Post-translational protein modification
","DNA Double-Strand Break Repair","Diseases of metabolism","Nervous system development","Base Excision Repair","Infectious disease","RNA Polymerase II Transcription","Mitotic G1 phase and G1/S transi
tion","Biosynthesis of specialized proresolving mediators (SPMs)",SUMOylation,"Metabolism of steroids","Regulation of lipid metabolism by PPARalpha","Homology Directed Repair","M Phase","Diseases of c
arbohydrate metabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Resolution of Abasic Sites (AP sites)","Leishmania infection","Generic Transcription Pathway","G0 and Early G1
","Biosynthesis of DPA-derived SPMs","SUMO E3 ligases SUMOylate target proteins","Bile acid and bile salt metabolism","PPARA activates gene expression","HDR through Homologous Recombination (HRR) or S
ingle Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Glycogen storage diseases","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","G1/S Transition","Leishmania 
parasite growth and survival","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX3","Transcription of E2F targets under negative control by DREAM complex","Biosynthesis of DPAn-3 
SPMs","SUMOylation of DNA replication proteins","Recycling of bile acids and salts","Synthesis of bile acids and bile salts","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Glycogen s
torage disease type II (GAA)","PCNA-Dependent Long Patch Base Excision Repair","Activation of the pre-replicative complex","Anti-inflammatory response favouring Leishmania parasite infection","Regulat
ion of TP53 Activity","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3-derived protectins and resolvins","Synthesis of bile acids and bile salts via 27-hydroxycholesterol",
"Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Presynaptic p
hase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{TOP2A,TOP2B}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{"Vepesid J","Epipodophyllotoxin VP-16213","Epipodophyllotoxin VP16213",VP-16,VP16,NSC141540,"Etopophos (Bristol Meyers)","4'-Demethylepipodophyllotoxin ethylidene-.beta.-D-glucoside","4'Demethylepipo
dophyllotoxin ethylidene.beta.Dglucoside",BSPBio_001067,BSPBio001067,BSPBio-001067,"BSPBio 001067",KBioGR_000407,KBioGR000407,KBioGR-000407,"KBioGR 000407",KBioSS_000407,KBioSS000407,KBioSS-000407,"KB
ioSS 000407",CHEMBL16671,SCHEMBL5020107,BCBcMAP01_000114,BCBcMAP01000114,BCBcMAP01-000114,"BCBcMAP01 000114",KBio2_0004,KBio20004,KBio2-0004,"KBio2 0004",141540,"NSC 141540",Etoposide}

> <pdid>
PD001532

> <targets>
{}

> <classes>
{"Topoisomerase II Inhibitors"}

> <pubchem_cids>
{439525}

$$$$
Broad_2021
  SciTegic11012413022D

 46 51  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 O   0  0
    1.2960    5.2539    0.0000 C   0  0
   -0.0056    5.9995    0.0000 C   0  0
   -0.0108    7.4995    0.0000 C   0  0
    1.2856    8.2540    0.0000 C   0  0
    1.2835    9.7548    0.0000 N   0  0
    2.5817   10.5079    0.0000 C   0  0
    3.8821    9.7601    0.0000 O   0  0
    2.5796   12.0087    0.0000 C   0  0
    1.9430   13.2402    0.0000 C   0  0
    1.1951   11.9400    0.0000 C   0  0
    3.8784   12.7616    0.0000 C   0  0
    5.1785   12.0134    0.0000 O   0  0
    3.8768   14.2624    0.0000 N   0  0
    5.1752   15.0151    0.0000 C   0  0
    5.1758   16.5151    0.0000 C   0  0
    6.4751   17.2647    0.0000 C   0  0
    7.7739   16.5143    0.0000 C   0  0
    9.0732   17.2639    0.0000 F   0  0
    7.7734   15.0143    0.0000 C   0  0
    6.4741   14.2647    0.0000 C   0  0
    2.5873    7.5085    0.0000 C   0  0
    2.5924    6.0085    0.0000 C   0  0
    3.8941    5.2631    0.0000 F   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.9099   -8.2497    0.0000 C   0  0
   -3.9099   -9.7497    0.0000 C   0  0
   -2.6109  -10.4997    0.0000 O   0  0
   -1.3119   -9.7497    0.0000 C   0  0
   -1.3118   -8.2497    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 15  1  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
 24 26  1  0
 26 27  2  0
 27 21  1  0
 11 28  1  0
 28 29  2  0
 29  8  1  0
 29 30  1  0
  6 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34  5  1  0
 34 35  1  0
 35 36  2  0
 36  3  1  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 45  1  0
 45 46  1  0
 46 41  1  0
M  END
> <name>
Broad_2021

> <id>
33585

> <plate>
Plate_1

> <well>
E06

> <supplier_cmpd_name>
GSK 1363089

> <ctcr_id>
2909

> <supplier_cmpd_id>
GSK 1363089

> <smiles>
COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3F)ccnc2cc1OCCCN6CCOCC6

> <pd_targets>
{PTK2B,MAP3K9,STK35,MAP2K5,HIPK1,FYN,TEC,TYK2,CDK13,DDR2,EPHA1,EPHA3,YES1,HIPK3,MAP3K12,CDK14,CDK9,CSNK1E,ERBB3,MAP3K10,FGFR1,CDK11B,MAPK9,HIPK4,CAMKK1,NEK9,MET,BMX,DDR1,KDR,MST1R,STK33,FLT3,EPHB4,MAP
3K13,FGFR3,INSR,KIT,ABL1,EGFR,FGR,TIE1,ITK,PTK6,CDK16,PDGFRA,STK4,TESK1,MAP4K5,INSRR,TAOK2,PRKAA1,FLT1,FLT4,PDGFRB,ROS1,ERBB2,MINK1,ERBB4,MAP4K1,EPHA6,MKNK1,MAP3K11,MAPK13,CDKL5,AURKA,CDC42BPA,RIPK1,R
IPK2,CDKL2,TNK1,EPHA4,JAK2,AXL,TEK,MAPK8,DYRK2,MAP4K3,EPHB6,SMO,CLK1,NTRK3,CSF1R,MAK,NTRK2,PLK4,TNIK,CDC42BPG,AURKC,AURKB,BTK,FER,LIMK2,MUSK,MAP3K4,PRKAA2,CAMKK2,HUNK,CHEK2,CDK8,CDK7,RET,RIPK4,FGFR2,P
IP4K2C,SRMS,MAP3K20,MAPK14,ULK3,MAP3K3,MAP2K2,SIK1,CDK18,MAP2K1,RAF1,RPS6KB1,ALK,BRAF,CSK,MAPK12,MERTK,ABL2,PRKD3,TYRO3,CIT,TBK1,EIF2AK1,SLK,MYO3A,MKNK2,TXK,CAMK1,EPHA2,MAP4K2,ROCK2,CDKL3,DAPK3,BLK,FE
S,CAMK1D,EPHA8,TAOK1,MYLK2,MAP3K7,LTK,STK25,STK36,PAK3,MAPK10,TTK,EPHB3,IGF1R,RPS6KA2,MYO3B,LIMK1,LYN,CLK4,CDK11A,MAP3K19,CDK15,MAP4K4,EPHA5,CDPK1,LCK,SRC,STK10,MAP3K2,IRAK3,IKBKE,CDK19,SIK2,TNNI3K,NL
K,EPHB2,TNK2,NTRK1,CHUK,CSNK2A2,FRK,HCK,HIPK2,MAPK15,PTK2,ANKK1,MYLK3,DSTYK,MAPK11,SYK,EPHA7,EPHB1,CDK17,CDC42BPB,MELK}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor",Kinase,"Frizzled family G protein-coupled receptor",Transferase,"Protein Kinase","Smoothened receptor (frizzled family GPCR)","TK protein kinase grou
p","TKL protein kinase group","Other protein kinase group","STE protein kinase group","CMGC protein kinase group","CK1 protein kinase group","CAMK protein kinase group","AGC protein kinase group","Tyr
osine protein kinase Fak family","TKL protein kinase MLK family","Other protein kinase NKF4 family","STE protein kinase STE7 family","CMGC protein kinase DYRK family","Tyrosine protein kinase Src fami
ly","Tyrosine protein kinase Tec family","Tyrosine protein kinase JakA family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Eph family","CMGC protein kinase CDK family","CK1 protein k
inase CK1 family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase FGFR family","CMGC protein kinase MAPK family","Other protein kinase CAMKK family","Other protein kinase NEK family","T
yrosine protein kinase Met family","Tyrosine protein kinase VEGFR family","CAMK protein kinase unique family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase InsR family","Tyrosine pro
tein kinase Abl family","Tyrosine protein kinase Tie family","STE protein kinase STE20 family","TKL protein kinase LISK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Sev family",
"CAMK protein kinase MAPKAPK family","CMGC protein kinase CDKL family","Other protein kinase AUR family","AGC protein kinase DMPK family","TKL protein kinase RIPK family","Tyrosine protein kinase Ack 
family","Tyrosine protein kinase Axl family","CMGC protein kinase CLK family","Tyrosine protein kinase Trk family","CMGC protein kinase RCK family","Other protein kinase PLK family","Tyrosine protein 
kinase Fer family","Tyrosine protein kinase Musk family","STE protein kinase STE11 family","CAMK protein kinase RAD53 family","Tyrosine protein kinase Ret family","Other protein kinase ULK family","TK
L protein kinase RAF family","AGC protein kinase RSK family","TKL protein kinase STKR family","Tyrosine protein kinase Csk family","CAMK protein kinase PKD family","Other protein kinase IKK family","O
ther protein kinase PEK family","CAMK protein kinase DAPK family","CAMK protein kinase MLCK family","Tyrosine protein kinase Alk family","Other protein kinase TTK family","TKL protein kinase IRAK fami
ly","Other protein kinase CK2 family","Tyrosine protein kinase Syk family","TKL protein kinase MLK subfamily","CMGC protein kinase HIPK subfamily","Tyrosine protein kinase SrcA","CMGC protein kinase P
FTAIRE","CMGC protein kinase CDK9 subfamily","CMGC protein kinase PITSLRE subfamily","CMGC protein kinase JNK subfamily","Other protein kinase Meta subfamily","TKL protein kinase LZK subfamily","CMGC 
protein kinase TAIRE subfamily","STE protein kinase MST subfamily","TKL protein kinase TESK subfamily","STE protein kinase KHS subfamily","STE protein kinase TAO subfamily","CAMK protein kinase AMPK s
ubfamily","STE protein kinase MSN subfamily","CAMK protein kinase MNK subfamily","CMGC protein kinase p38 subfamily","AGC protein kinase GEK subfamily","CMGC protein kinase Dyrk2 subfamily","CMGC prot
ein kinase MAK","TKL protein kinase LIMK subfamily","CMGC protein kinase CDK8 subfamily","CMGC protein kinase CDK7 subfamily","Tyrosine protein kinase Srm","STE protein kinase MEKK2","CAMK protein kin
ase QIK subfamily","CMGC protein kinase PCTAIRE","AGC protein kinase p70 subfamily","TKL protein kinase STKR Type 1 subfamily","AGC protein kinase CRIK subfamily","Other protein kinase HRI","STE prote
in kinase SLK subfamily","STE protein kinase NinaC subfamily","AGC protein kinase ROCK subfamily","TKL protein kinase TAK1 subfamily","STE protein kinase YSK subfamily","STE protein kinase PAKA subfam
ily","AGC protein kinase RSK subfamily","TKL protein kinase HH498 subfamily","CMGC protein kinase nmo subfamily","CAMK protein kinase MELK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CMGC: Containing 
CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","CAMK: Calcium/calmodulin-dependent protein kinases","AGC: Containing PKA",PKG,"PKC families","Class Frizzled GPCRs","Lipid modifying kinases","TK:
 Tyrosine kinase","TKL: Tyrosine kinase-like","Other protein kinases","STE7 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Cyclin-dependent kinase (CDK) family
","Casein kinase 1 (CK1) family","Mitogen-activated protein kinases (MAP kinases)","CAMK-unique family","STE20 family","CAMK-like (CAMKL) family","MAPK-Activated Protein Kinase (MAPKAPK) family","Cycl
in-dependent kinase-like (CDKL) family","DMPK family","CLK family","RCK family","STE11 family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","RSK family","Protein kinase D
 (PKD) family","CAMK1 family","Death-associated kinase (DAPK) family","Myosin Light Chain Kinase (MLCK) family","Non-receptor tyrosine kinases (nRTKs)","Mixed Lineage Kinase (MLK) family","NKF4 family
","HIPK subfamily","CRK7 subfamily","Receptor tyrosine kinases (RTKs)","TAIRE subfamily","CDK9 subfamily","PITSLRE subfamily","JNK subfamily","CAMKK family","NIMA (never in mitosis gene a)- related ki
nase (NEK) family","MST subfamily","LIM domain kinase (LISK) family","KHS subfamily","TAO subfamily","AMPK subfamily","MSN subfamily","MKN subfamily","p38 subfamily","Aurora kinase (Aur) family","GEK 
subfamily","Receptor interacting protein kinase (RIPK) family","Dyrk2 subfamily","Polo-like kinase (PLK) family","HUNK subfamily","CHK1 subfamily","CDK8 subfamily","CDK7 subfamily","Unc-51-like kinase
 (ULK) family","QIK subfamily","RAF family","p70 subfamily","Other DMPK family kinases","IKK family","PEK family","SLK subfamily","NinaC subfamily","Rho kinase","YSK subfamily","PAKA subfamily","TTK f
amily","RSK subfamily","STE20 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","nmo subfamily","Casein kinase 2 (CK2) family","Erk7 subfamily","Other-unique family","MELK subfamily"
,"Fak family","MLK subfamily","Src family","Tec family","Janus kinase (JakA) family","Type XVI RTKs: DDR (collagen receptor) family","Type XIII RTKs: Ephrin receptor family","LZK subfamily","Type I RT
Ks: ErbB (epidermal growth factor) receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Meta subfamily","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type I
V RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type II RTKs: Insulin receptor family","Abl family","Type XII RTKs: TIE famil
y of angiopoietin receptors","TESK subfamily","Type XVII RTKs: ROS receptors","Ack family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type VII RTKs: Neurotrophin receptor/Trk fami
ly","Fer family","LIMK subfamily","Type IX RTKs: MuSK","Type XIV RTKs: RET","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Csk family","Other PEK family kinases","TAK1 subfamily","H
H498 subfamily","Syk family"}

> <pathway_reactome>
{"Immune System","Signal Transduction","Gene expression (Transcription)",Disease,"Extracellular matrix organization","Developmental Biology","Cell Cycle","Neuronal System",Metabolism,"Cell-Cell commun
ication","Cellular responses to external stimuli","Organelle biogenesis and maintenance","Circadian Clock",Hemostasis,"Programmed Cell Death","Cytokine Signaling in Immune system","Signaling by Recept
or Tyrosine Kinases","RNA Polymerase II Transcription","Infectious disease","Non-integrin membrane-ECM interactions","Nervous system development",Mitotic,"Intracellular signaling by second messengers"
,"Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","Transmission across Chemical Synapses","Metabolism of lipids","Signaling by GPCR","Adaptive 
Immune System","Signaling by Hippo","Cell junction organization","Cellular responses to stress","MAPK family signaling cascades","Cilium Assembly","ECM proteoglycans","Signaling by Non-Receptor Tyrosi
ne Kinases","Signaling by Hedgehog","MTOR signalling","Cell surface interactions at the vascular wall","Signaling by Rho GTPases",Apoptosis,"Signaling by WNT","Signaling by Interleukins","Signaling by
 NTRKs","Generic Transcription Pathway","HIV Infection","Interferon Signaling","Axon guidance","Leishmania infection","Mitotic G2-G2/M phases","PIP3 activates AKT signaling","Signaling by FGFR in dise
ase","Toll-like Receptor Cascades","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","Phospholipid metabolism","Signaling by VEGF","Signaling by MST1","Signaling by Insulin r
eceptor","Signaling by KIT in disease","GPCR downstream signalling","TCR signaling","Mitotic G1 phase and G1/S transition","Signaling by PDGFR in disease","Cell-extracellular matrix interactions","Cel
lular Senescence","Signaling by FGFR","Oncogenic MAPK signaling","MAPK1/MAPK3 signaling","Cargo trafficking to the periciliary membrane","Signaling by SCF-KIT","Signaling by NOTCH1 in Cancer","Signali
ng by PTK6","Hedgehog 'on' state","mTORC1-mediated signalling","Sphingolipid metabolism","RHO GTPase Effectors","Response of EIF2AK1 (HRI) to heme deficiency","Fc epsilon receptor (FCERI) signaling","
Caspase activation via extrinsic apoptotic signalling pathway","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Neutrophil degranulation","Regulation of lipid metabolism by PPARalp
ha","Beta-catenin independent WNT signaling","Interleukin-2 family signaling","Signaling by NTRK1 (TRKA)","Transcriptional Regulation by TP53","Host Interactions of HIV factors",Interleukin-3,"Interle
ukin-5 and GM-CSF signaling","Interferon alpha/beta signaling","EPH-Ephrin signaling","Leishmania parasite growth and survival","HIV Life Cycle","G2/M Transition","Negative regulation of the PI3K/AKT 
network","Signaling by FGFR1 in disease","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic events","Mitotic Prophase","Semaphorin interactions","PI Metabolism","VEGF
A-VEGFR2 Pathway","Insulin receptor signalling cascade","Signaling by FGFR3 in disease","Drug resistance of KIT mutants","Parasite infection","G alpha (q) signalling events","Generation of second mess
enger molecules","G1 Phase","Drug resistance of PDGFR mutants","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","VEGF ligand-receptor interactions","Oxidative Stres
s Induced Senescence","Signaling by FGFR4","Signaling by RAS mutants","Toll Like Receptor 4 (TLR4) Cascade","RAF/MAP kinase cascade","BBSome-mediated cargo-targeting to cilium","Signaling by NTRK3 (TR
KC)","Transcriptional Regulation by VENTX","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","RET signaling","Signaling by FGFR2 in disease","PTK6 Down-Regulation
","Interleukin-1 family signaling","Signaling by ROBO receptors","Sphingolipid de novo biosynthesis","RHO GTPases activate CIT","FCERI mediated Ca+2 mobilization","Caspase activation via Dependence Re
ceptors in the absence of ligand","Transcriptional regulation by RUNX1","IGF1R signaling cascade","Toll Like Receptor 2 (TLR2) Cascade","PPARA activates gene expression","Ca2+ pathway","PTEN Regulatio
n","Interleukin-2 signaling","Signalling to ERK5","Regulation of TP53 Activity","The role of Nef in HIV-1 replication and disease pathogenesis","Regulation of IFNA signaling","TP53 Regulates Transcrip
tion of DNA Repair Genes","EPHA-mediated growth cone collapse","Anti-inflammatory response favouring Leishmania parasite infection","Late Phase of HIV Life Cycle","Centrosome maturation",PI5P,"PP2A an
d IER3 Regulate PI3K/AKT Signaling","FGFR1 mutant receptor activation","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","Nuclear Envelope Breakdown","Sema4D in semap
horin signaling","Synthesis of PIPs at the plasma membrane","VEGFR2 mediated cell proliferation","IRS-mediated signalling","EPHB-mediated forward signaling","Signaling by FGFR3 point mutants in cancer
","Dasatinib-resistant KIT mutants","Leishmania phagocytosis","Gastrin-CREB signalling pathway via PKC and MAPK","Cyclin D associated events in G1","Imatinib-resistant PDGFR mutants","VEGF binds to VE
GFR leading to receptor dimerization","Negative regulation of FGFR4 signaling","Signaling downstream of RAS mutants","Signalling to ERKs","MyD88-independent TLR4 cascade","Activated NTRK3 signals thro
ugh PI3K","Activation of TRKA receptors","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","FGFR2 mutant receptor activation","Interleukin-1 signaling","Negative regulation 
of MAPK pathway","Role of ABL in ROBO-SLIT signaling","RUNX1 regulates transcription of genes involved in BCR signaling","CRMPs in Sema3A signaling","Ephrin signaling","IRS-related events triggered by
 IGF1R","Toll Like Receptor TLR6:TLR2 Cascade","Regulation of PTEN stability and activity","Regulation of TP53 Activity through Phosphorylation","Nef and signal transduction","FCGR3A-mediated IL10 syn
thesis","Transcription of the HIV genome","Loss of proteins required for interphase microtubule organization from the centrosome","Signaling by activated point mutants of FGFR1","Recruitment of mitoti
c centrosome proteins and complexes","MAP kinase activation","Activation of RAC1 downstream of NMDARs","Activation of NIMA Kinases NEK9",NEK6,NEK7,"Sema4D mediated inhibition of cell attachment and mi
gration","PI3K Cascade","FGFR3 mutant receptor activation","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","Long-term potentia
tion","Spry regulation of FGF signaling","Signalling to RAS","TRIF(TICAM1)-mediated TLR4 signaling","NGF-independant TRKA activation","Separation of Sister Chromatids","Activation of AMPK downstream o
f NMDARs","Regulation of TP53 Expression and Degradation","Activated point mutants of FGFR2","Regulation of TP53 Activity through Acetylation","Prolonged ERK activation events","Negative feedback regu
lation of MAPK pathway","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","HIV Transcription Elon
gation","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","Signaling by activated point mutants of FGFR3","p38MAPK events","IKK complex recruitment mediated
 by RIP1","activated TAK1 mediates p38 MAPK activation","Regulation of TP53 Degradation","PI5P Regulates TP53 Acetylation","Frs2-mediated activation","ARMS-mediated activation","Activation of IRF3/IRF
7 mediated by TBK1/IKK epsilon","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Nef Mediated CD4 Down-regulation","Tat-mediated elongation of the HIV-1 transcript","Activation of the A
P-1 family of transcription factors","CREB phosphorylation","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

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

> <broad_moa>
{"VEGFR inhibitor"}

> <synonyms>
{Foretinib,849217-64-7,849217647,GSK1363089,XL880,"Foretinib (GSK1363089)",XL-880,EXEL-2880,EXEL2880,"GSK 1363089","XL 880",GSK089,"EXEL 2880",GSK-1363089,UNII-81FH7VK1C4,UNII81FH7VK1C4,81FH7VK1C4,GSK
-089,GSK1363089G,"Foretinib (XL-880)","Foretinib (XL880)",937176-80-2,937176802,C34H34F2N4O6,88Z,Foretinib(XL880),T3113,S1111,foretinib,XL880(GSK1363089)}

> <pdid>
PD003567

> <targets>
{"c-Met | VEGFR-PDGFR",VEGFR,c-Met}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{42642645}

$$$$
Broad_2021
  SciTegic11012413022D

 30 32  0  0  0  0            999 V2000
    4.2566    0.5871    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.8054   -4.6666    0.0000 N   0  0
    3.9195   -5.8781    0.0000 C   0  0
    2.4283   -5.7163    0.0000 O   0  0
    4.5250   -7.2514    0.0000 N   0  0
    5.9828   -7.5456    0.0000 C   0  0
    6.1372   -9.0377    0.0000 C   0  0
    4.7659   -9.6456    0.0000 C   0  0
    3.7640   -8.5292    0.0000 C   0  0
    2.2730   -8.6751    0.0000 C   0  0
    1.6521  -10.0406    0.0000 O   0  0
    1.4005   -7.4550    0.0000 N   0  0
    2.7343   -2.9815    0.0000 S   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 C   0  0
   -2.5983   -3.0004    0.0000 C   0  0
   -1.2996   -2.2502    0.0000 C   0  0
   -3.8990   -0.7508    0.0000 C   0  0
   -5.1981   -1.5008    0.0000 F   0  0
   -3.8995    0.7492    0.0000 F   0  0
   -5.1982   -0.0010    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  8  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
  4 16  1  0
 16 17  1  0
 17  2  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
M  END
> <name>
Broad_2021

> <id>
33586

> <plate>
Plate_1

> <well>
F06

> <supplier_cmpd_name>
Alpelisib

> <ctcr_id>
7254

> <supplier_cmpd_id>
Alpelisib

> <smiles>
Cc1nc(NC(=O)N2CCCC2C(=O)N)sc1c3ccnc(c3)C(C)(C)C(F)(F)F

> <pd_targets>
{PIK3CA,PIK3CG,PIK3CD,PIK3CB}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{Disease,Metabolism,"Immune System","Signal Transduction","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","Cytokine Signaling in Immune system
","Signaling by Receptor Tyrosine Kinases","Signaling by FGFR in disease","Phospholipid metabolism","Signaling by Interleukins","Signaling by Insulin receptor","Signaling by FGFR1 in disease","PI Meta
bolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Insulin receptor signalling cascade","FGFR1 mutant receptor activation","Synthesis of PIPs at the plasma membrane","Interleukin receptor SHC
 signaling","IRS-mediated signalling","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade"}

> <broad_targets>
{PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{UNII-08W5N2C97Q,UNII08W5N2C97Q,CHEMBL2396661,08W5N2C97Q,C19H22F3N5O2S,4jps,"Piqray (TN)","Alpelisib (USAN:INN)",QCR-1,QCR1,"Alpelisib (JAN/USAN/INN)",cc-697,cc697,GTPL7955,SCHEMBL1911869,CHEBI:93752,
DTXSID70153355,EX-A405,EXA405,"BYL 719; BYL719",AOB87192,"NVP-BYL719 (BYL719)","NVPBYL719 (BYL719)",229,T1921,16986,S2814,Alpelisib,BYL-719,BYL719}

> <pdid>
PD003252

> <targets>
{PI3K}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{56649450}

$$$$
Broad_2021
  SciTegic11012413022D

 31 35  0  0  1  0            999 V2000
    3.9075   -3.7444    0.0000 C   0  0
    2.6060   -2.9986    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0  2  0  0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2004   -2.9933    0.0000 N   0  0
    6.4995   -3.7432    0.0000 C   0  0
    7.7985   -2.9932    0.0000 N   0  0
    7.7985   -1.4932    0.0000 C   0  0
    8.9127   -0.4902    0.0000 N   0  0
    8.3026    0.8801    0.0000 C   0  0
    6.8108    0.7233    0.0000 N   0  0
    6.4994   -0.7432    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  5  1  0
 13  9  2  0
  3 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 16  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 14  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
M  END
> <name>
Broad_2021

> <id>
33587

> <plate>
Plate_1

> <well>
G06

> <supplier_cmpd_name>
Idelalisib

> <ctcr_id>
7581

> <supplier_cmpd_id>
Idelalisib

> <smiles>
CC[C@H](Nc1ncnc2[nH]cnc12)C3=Nc4cccc(F)c4C(=O)N3c5ccccc5

> <pd_targets>
{PIK3C3,PIK3CD,PIK3CG,PIK3CB,PIK3CA,PIK3R1,PRKDC,PIK3R2}

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

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,"Phosphatidylinositol 3-kinase family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-relat
ed kinases (PIKK) family","Other PIKK family kinases"}

> <pathway_reactome>
{"Signal Transduction","Immune System",Metabolism,Disease,"Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","Metabolism of lipids","Diseases of signal transduction by grow
th factor receptors and second messengers","Innate Immune System","Signaling by Insulin receptor","Signaling by Interleukins","Phospholipid metabolism","Signaling by FGFR in disease","Cytosolic sensor
s of pathogen-associated DNA","Insulin receptor signalling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","PI Metabolism","Signaling by FGFR1 in disease","STING mediated induction of host
 immune responses","IRS-mediated signalling","Interleukin receptor SHC signaling","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor activation","IRF3-mediated induction of type I IFN",
"PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"AL101 (IDELALISIB",GS-1101,GS1101,SCHEMBL356400,Idelalisib,870281-82-6,870281826,CAL-101,CAL101,Zydelig,"CAL 101",1146702-54-6,1146702546,UNII-YG57I8T5M0,UNIIYG57I8T5M0,"CAL-101 (Idelalisib, GS-1101
)","CAL101 (Idelalisib, GS1101)","Idelalisib (CAL-101)","Idelalisib (CAL101)","GS 1101",(S)-2-(1-(9H-purin-6-ylamino)propyl)-5-fluoro-3-phenylquinaz,(S)2(1(9Hpurin6ylamino)propyl)5fluoro3phenylquinaz,
T1894,759224,S2226,SY-CAL101}

> <pdid>
PD003400

> <targets>
{PI3K-delta,PI3K}

> <classes>
{}

> <pubchem_cids>
{11625818}

$$$$
Broad_2021
  SciTegic11012413022D

 39 40  0  0  0  0            999 V2000
   11.3990    3.0769    0.0000 Cl  0  0
    8.8990    3.0769    0.0000 Cl  0  0
    6.3990    3.0769    0.0000 Cl  0  0
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 N   0  0
   -9.0866    3.7711    0.0000 C   0  0
   -9.0793    5.2719    0.0000 C   0  0
  -10.3731    6.0309    0.0000 C   0  0
  -10.3628    7.5309    0.0000 C   0  0
   -9.0586    8.2719    0.0000 C   0  0
   -7.7647    7.5130    0.0000 C   0  0
   -7.7751    6.0130    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
   -1.2991    5.2507    0.0000 N   0  0
    0.0513    5.9204    0.0000 C   0  0
    0.3828    7.3833    0.0000 C   0  0
   -0.5543    8.5546    0.0000 C   0  0
   -2.0543    8.5522    0.0000 N   0  0
   -2.7073    9.9026    0.0000 C   0  0
   -2.9877    7.3779    0.0000 C   0  0
   -2.6516    5.9161    0.0000 C   0  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 17 25  1  0
 25 26  1  0
 26 14  1  0
 12 27  2  0
 27  8  1  0
 27 28  1  0
 28 29  2  0
 29  6  1  0
 29 30  1  0
 30 31  1  0
 10 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 36 38  1  0
 38 39  1  0
 39 32  1  0
M  END
> <name>
Broad_2021

> <id>
33588

> <plate>
Plate_1

> <well>
H06

> <supplier_cmpd_name>
BIX-01294

> <ctcr_id>
6737

> <supplier_cmpd_id>
BIX-01294

> <smiles>
Cl.Cl.Cl.COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N5CCCN(C)CC5

> <pd_targets>
{EHMT2,EHMT1,MTOR}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Writer,Kinase,"Protein methyltransferase","Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"
}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","2.1.1.43 Histone methyltransferases (HMTs)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

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

> <broad_targets>
{EHMT1,EHMT2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{C28H38N6O2.3ClH,1392399-03-9,1392399039,"BIX 01294","BIX 01294 Trihydrochloride","BIX-01294 Trihydrochloride","BIX01294 Trihydrochloride","BIX01294 HCl",BIX01294,"BIX 01294 trihydrochloride hydrate",
"1392399-03-9 ( HCl)","1392399039 ( HCl)","BIX01294 trihydrochloride",cc-235,cc235,C28H38N6O2.3HCl,DTXSID701017374,S8006,BIX-01294}

> <pdid>
PD003481

> <targets>
{Methyltransferase,"Histone Methyltransferase"}

> <classes>
{Epigenetics}

> <pubchem_cids>
{46945860}

$$$$
Broad_2021
  SciTegic11012413022D

 24 27  0  0  0  0            999 V2000
    3.8964    0.7545    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
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2121    3.8625    0.0000 C   0  0
    0.7463    5.2884    0.0000 C   0  0
   -0.7537    5.2860    0.0000 C   0  0
   -1.2149    3.8587    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
  1  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 12  1  0
 12 13  2  0
 13  4  1  0
 13  8  1  0
  6 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  1  0
  2 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  END
> <name>
Broad_2021

> <id>
33589

> <plate>
Plate_1

> <well>
I06

> <supplier_cmpd_name>
Importazole

> <ctcr_id>
8282

> <supplier_cmpd_id>
Importazole

> <smiles>
CC(Nc1nc(nc2ccccc12)N3CCCC3)c4ccccc4

> <pd_targets>
{KMT2A,GAA,HSD17B10,KDM4E,ALOX15,RORC,MAPT}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Transcription factor","Other cytosolic protein",Reader,Hydrolase,Oxidoreductase,Eraser,"Nuclear receptor",Bromodomain,"Lysine demethylase","Nuclear hormone receptor sub
family 1","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","3.2.1.- Glycosidases","Eicosanoid turnover","Nuclear hormone receptors","2.1.1.43 Histone methyltransferases (HMTs)","1.14.11.- Histone demethylases",
Lipoxygenases,"1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,Metabolism,"Neuronal System","RNA Polymerase II Transcription","Diseases of metabolism","Metabolism of amino acids and derivatives","Metabolism of lipids","T
ransmission across Chemical Synapses","Generic Transcription Pathway","Diseases of carbohydrate metabolism","Branched-chain amino acid catabolism","Biosynthesis of specialized proresolving mediators (
SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Transcriptional regulation by RUNX1","Glycogen storage diseases","Biosynthesis of DPA-derived SPMs","Transcriptional regulatio
n by RUNX3","Activation of NMDA receptors and postsynaptic events","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Glycogen storage disease type II (GAA)","Bio
synthesis of DPAn-3 SPMs","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA receptor activation events","Biosynthesis of DPAn-3-derived protectins and resolvins","Activation of AMPK down
stream of NMDARs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{importazole,662163-81-7,662163817,N-(1-phenylethyl)-2-(pyrrolidin-1-yl)quinazolin-4-amine,N(1phenylethyl)2(pyrrolidin1yl)quinazolin4amine,"Importazole free base",N-(1-phenylethyl)-2-pyrrolidin-1-ylqu
inazolin-4-amine,N(1phenylethyl)2pyrrolidin1ylquinazolin4amine,"662163-81-7 (free base)","662163817 (free base)",N-(1-phenylethyl)-2-(1-pyrrolidinyl)-4-quinazolinamine,N(1phenylethyl)2(1pyrrolidinyl)4
quinazolinamine,Impo,T3445,HY-101091,Importazole}

> <pdid>
PD003709

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2949965}

$$$$
Broad_2021
  SciTegic11012413022D

 24 26  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -4.0312   -5.2379    0.0000 C   0  0
   -5.4984   -5.5497    0.0000 S   0  0
   -6.2484   -4.2507    0.0000 C   0  0
   -5.2447   -3.1360    0.0000 N   0  0
   -7.7409   -4.0938    0.0000 C   0  0
   -8.7075   -5.2344    0.0000 C   0  0
  -10.1833   -4.9658    0.0000 C   0  0
  -10.6886   -3.5535    0.0000 C   0  0
   -9.7181   -2.4097    0.0000 C   0  0
   -8.2423   -2.6783    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 13  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 10 24  2  0
 24  6  1  0
M  END
> <name>
Broad_2021

> <id>
33590

> <plate>
Plate_1

> <well>
J06

> <supplier_cmpd_name>
KHS101 hydrochloride

> <ctcr_id>
8305

> <supplier_cmpd_id>
KHS101 hydrochloride

> <smiles>
CC(C)CNc1ccnc(NCc2csc(n2)c3ccccc3)n1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{TACC3}

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

> <synonyms>
{1262770739,"1262770 73 9",KHS101,"N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine","N4isobutylN2((2phenylthiazol4yl)methyl)pyrimidine2,4diamine","N4 isobutyl N2 ((2 phenylthiazol 
4 yl)methyl)pyrimidine 2,4 diamine",KHS-101,KHS1,T5170,K4019,"KHS101 hydrochloride","KHS 101 hydrochloride"}

> <pdid>
PD003321

> <targets>
{PLK1,FGFR}

> <classes>
{Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{71304818,90488983}

$$$$
Broad_2021
  SciTegic11012413022D

 30 34  0  0  0  0            999 V2000
    3.9015    0.7475    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    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
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    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
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 N   0  0
    1.3787    3.8597    0.0000 C   0  0
    1.8375    5.2879    0.0000 N   0  0
    3.3367    5.2926    0.0000 C   0  0
    4.3367    6.4106    0.0000 C   0  0
    3.8684    7.8357    0.0000 N   0  0
    5.8050    6.1036    0.0000 N   0  0
    6.2732    4.6786    0.0000 C   0  0
    5.2732    3.5606    0.0000 N   0  0
    3.8050    3.8675    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 11  1  0
 17 18  1  0
 18  8  1  0
 18 19  2  0
  9 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 21  1  0
 30 24  1  0
M  END
> <name>
Broad_2021

> <id>
33591

> <plate>
Plate_1

> <well>
K06

> <supplier_cmpd_name>
IC-87114

> <ctcr_id>
6703

> <supplier_cmpd_id>
IC-87114

> <smiles>
Cc1ccccc1N2C(=Nc3cccc(C)c3C2=O)Cn4cnc5c(N)ncnc45

> <pd_targets>
{PIK3CD,PIK3CG,PIK3CB,PIK3R1}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{"Immune System",Metabolism,"Signal Transduction","Cytokine Signaling in Immune system","Metabolism of lipids","Signaling by Receptor Tyrosine Kinases","Signaling by Interleukins","Phospholipid metabo
lism","Signaling by Insulin receptor",Interleukin-3,"Interleukin-5 and GM-CSF signaling","PI Metabolism","Insulin receptor signalling cascade","Interleukin receptor SHC signaling","Synthesis of PIPs a
t the plasma membrane","IRS-mediated signalling","PI3K Cascade"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{C8711,IC-87114,IC87114,371242-69-2,371242692,2-((6-amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one,2((6amino9Hpurin9yl)methyl)5methyl3otolylquinazolin4(3H)one,"IC 87114",UNII-9HC74
6B1KF,UNII9HC746B1KF,9HC746B1KF,CHEMBL1213082,CHEBI:90686,2-((6-aminopurin-9-yl)methyl)-5-methyl-3-(2-methylphenyl)quinazolin-4-one,2((6aminopurin9yl)methyl)5methyl3(2methylphenyl)quinazolin4one,D-030
,D030,T2660,S1268}

> <pdid>
PD003335

> <targets>
{PI3K}

> <classes>
{}

> <pubchem_cids>
{9908783}

$$$$
Broad_2021
  SciTegic11012413022D

 32 32  0  0  0  0            999 V2000
    5.0973    2.6188    0.0000 Na  0  3
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3032    3.7490    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 S   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -3.9027    2.2457    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
  -11.6998    3.7364    0.0000 O   0  0
  -12.9978    2.9845    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -9.0964    5.2395    0.0000 N   0  0
   -7.7956    5.9881    0.0000 C   0  0
   -7.7926    7.4889    0.0000 C   0  0
   -6.4925    8.2371    0.0000 O   0  0
   -9.0903    8.2412    0.0000 O   0  5
   -7.8004    2.9887    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0031    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  2  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  2  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 22 28  2  0
 28 16  1  0
  9 29  1  0
 29 30  1  0
 30 31  1  0
 29 32  2  0
 32  4  1  0
M  CHG  2   1   1  27  -1
M  END
> <name>
Broad_2021

> <id>
33592

> <plate>
Plate_1

> <well>
L06

> <supplier_cmpd_name>
Rigosertib

> <ctcr_id>
3918

> <supplier_cmpd_id>
Rigosertib

> <smiles>
[Na+].COc1cc(OC)c(C=CS(=O)(=O)Cc2ccc(OC)c(NCC(=O)[O-])c2)c(OC)c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{N0191,"Rigosertib (sodium)","ON-019190 (sodium)","ON019190 (sodium)",MLS006011061,CHEMBL3392806,DTXSID10974682,HMS3651K09,AKOS030241368,"Rigosertib Sodium(Random Configuration)",NCGC00346511-01,NCGC0
034651101,AK174893,SMR004703704,FT-0773489,FT0773489,T6070,S1362,Rigosertib,ON-01910,"Rigosertib (ON-01910)"}

> <pdid>

> <targets>
{PLK,Apoptosis,PI3K,Polo-like Kinase (PLK)}

> <classes>
{Cell Cycle,Apoptosis,Cell Cycle/DNA Damage,PI3K/Akt/mTOR}

> <pubchem_cids>
{73265218}

$$$$
Broad_2021
  SciTegic11012413022D

 35 38  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -0.0103    7.5017    0.0000 N   0  0
   -1.3123    8.2482    0.0000 C   0  0
   -2.6088    7.4938    0.0000 O   0  0
   -1.3178    9.7490    0.0000 C   0  0
   -0.0199   10.5012    0.0000 C   0  0
   -0.0223   12.0012    0.0000 C   0  0
   -1.3226   12.7491    0.0000 C   0  0
   -2.6204   11.9970    0.0000 C   0  0
   -2.6180   10.4970    0.0000 C   0  0
   -3.9158    9.7449    0.0000 C   0  0
   -3.9213   12.7452    0.0000 C   0  0
   -3.9262   14.2453    0.0000 C   0  0
   -5.2277   14.9911    0.0000 C   0  0
   -6.5243   14.2370    0.0000 C   0  0
   -7.8280   14.9805    0.0000 O   0  0
   -9.1242   14.2241    0.0000 C   0  0
  -10.4272   14.9673    0.0000 F   0  0
   -9.1168   12.7241    0.0000 F   0  0
  -10.4194   13.4675    0.0000 F   0  0
   -6.5195   12.7370    0.0000 C   0  0
   -5.2180   11.9911    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  2  1  0
  4  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 20 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 26 32  1  0
 32 33  2  0
 33 23  1  0
 12 34  1  0
 34 35  2  0
 35  9  1  0
M  END
> <name>
Broad_2021

> <id>
33593

> <plate>
Plate_1

> <well>
M06

> <supplier_cmpd_name>
Sonidegib

> <ctcr_id>
4291

> <supplier_cmpd_id>
Sonidegib

> <smiles>
CC1CN(CC(C)O1)c2ccc(NC(=O)c3cccc(c3C)c4ccc(OC(F)(F)F)cc4)cn2

> <pd_targets>
{SMO,SHH}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein","Frizzled family G protein-coupled receptor","Smoothened receptor (frizzled family GPCR)"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Class Frizzled GPCRs"}

> <pathway_reactome>
{"Organelle biogenesis and maintenance",Disease,"Cilium Assembly","Diseases of signal transduction by growth factor receptors and second messengers","Cargo trafficking to the periciliary membrane","Hh
 mutants abrogate ligand secretion","BBSome-mediated cargo-targeting to cilium","HHAT G278V doesn't palmitoylate Hh-Np"}

> <broad_targets>
{SMO}

> <broad_moa>
{"smoothened receptor antagonist"}

> <synonyms>
{"Sonidegib;LDE225; NVP-LDE 225","Sonidegib;LDE225; NVPLDE 225",SCHEMBL555313,CHEMBL2141738,HMS3655F04,AKOS026750268,NCGC00387854-03,NCGC0038785403,AK198959,FT-0667957,FT0667957,A25438,T1926,S2151,Son
idegib,"LDE225 (NVP-LDE225, Erismodegib)","LDE225 (NVP-LDE225,Erismodegib)"}

> <pdid>
PD003504

> <targets>
{Hedgehog/Smoothened}

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

> <pubchem_cids>
{53396339}

$$$$
Broad_2021
  SciTegic11012413022D

 32 35  0  0  0  0            999 V2000
    4.2146   -6.5095    0.0000 C   0  0
    3.3372   -5.2929    0.0000 C   0  0
    1.8372   -5.2877    0.0000 O   0  0
    1.3786   -3.8595    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 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
   -2.5998    1.4986    0.0000 C   0  0
   -3.8983    0.7460    0.0000 C   0  0
   -3.8989   -0.7540    0.0000 C   0  0
   -5.1982   -1.5035    0.0000 C   0  0
   -6.4970   -0.7530    0.0000 C   0  0
   -7.7963   -1.5026    0.0000 Cl  0  0
   -6.4964    0.7470    0.0000 C   0  0
   -5.1971    1.4965    0.0000 C   0  0
   -2.6013    2.9994    0.0000 C   0  0
   -1.3046    3.7535    0.0000 C   0  0
   -1.3092    5.2535    0.0000 C   0  0
   -2.6105    5.9995    0.0000 C   0  0
   -2.6152    7.4995    0.0000 Cl  0  0
   -3.9073    5.2455    0.0000 C   0  0
   -3.9027    3.7455    0.0000 C   0  0
    3.8056   -3.8679    0.0000 C   0  0
    5.2295   -3.4020    0.0000 N   0  3
    6.3470   -4.4025    0.0000 O   0  0
    5.5377   -1.9340    0.0000 O   0  5
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
 14 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 22  1  0
  5 29  1  0
 29  2  2  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
M  CHG  2  30   1  32  -1
M  END
> <name>
Broad_2021

> <id>
33594

> <plate>
Plate_1

> <well>
N06

> <supplier_cmpd_name>
ML-210

> <ctcr_id>
8239

> <supplier_cmpd_id>
ML-210

> <smiles>
Cc1onc(C(=O)N2CCN(CC2)C(c3ccc(Cl)cc3)c4ccc(Cl)cc4)c1[N+](=O)[O-]

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{L21,ML-210,ML210,1360705-96-9,1360705969,"ML 210",BRD7528,BRD-7528,TL_HRAS26,TLHRAS26,TL-HRAS26,"TL HRAS26",MLS003265661,CHEMBL1951048,SCHEMBL21965947,CHEBI:92034,HMS3874L03,BCP29439,EX-A3516,EXA3516
,MFCD22666407,ZINC73278737,NCGC00386679-01,NCGC0038667901,NCGC00386679-02,NCGC0038667902,"CID 49766530",SMR001941104,HY-100003,HY100003,"ML 21",2017,"ML 210"}

> <pdid>
PD003578

> <targets>
{Ferroptosis,Glutathione Peroxidase}

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

> <pubchem_cids>
{49766530}

$$$$
Broad_2021
  SciTegic11012413022D

 34 37  0  0  1  0            999 V2000
   10.3996   -1.4837    0.0000 C   0  0
    9.0990   -0.7364    0.0000 N   0  0
    9.0964    0.7636    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 N   0  0
    1.2960    5.2539    0.0000 C   0  0
    2.5925    6.0085    0.0000 C   0  0
    2.5873    7.5085    0.0000 C   0  0
    1.2856    8.2540    0.0000 C   0  0
    1.2804    9.7540    0.0000 F   0  0
   -0.0108    7.4995    0.0000 C   0  0
   -1.3124    8.2450    0.0000 Cl  0  0
   -0.0056    5.9995    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0  1  0  0  0
   -1.4469   -5.2298    0.0000 C   0  0
   -2.9152   -5.5365    0.0000 C   0  0
   -3.6607   -4.2349    0.0000 O   0  0
   -2.6531   -3.1237    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 22 15  1  0
 13 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 12  1  0
 26 27  1  0
 27 28  2  0
 28 10  1  0
 28 29  1  0
 30 29  1  1
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 30  1  0
M  END
> <name>
Broad_2021

> <id>
33595

> <plate>
Plate_1

> <well>
O06

> <supplier_cmpd_name>
Afatinib

> <ctcr_id>
1768

> <supplier_cmpd_id>
Afatinib

> <smiles>
CN(C)CC=CC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]4CCOC4

> <pd_targets>
{PHKG1,PHKG2,MAPK14,MAP2K5,TXK,EPHA6,BLK,MAPK9,DYRK2,EPHB6,ABL1,EGFR,ERBB2,STK10,FLT3,MET,AXL,CSNK1E,ERBB3,MAPK10,HIPK4,ERBB4,SLK,RPS6KA6,STK17A,GAK,SBK1,FRK,HCK,CIT,DYRK1A,DYRK1B,SRC,LCK,MKNK2,MKNK1,
IRAK1,RIPK2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","CAMK protein kinase group","CMGC protein kinase group","STE protein kinase group","TK protein kinase group","CK1 protein kinase group","AGC prot
ein kinase group","Other protein kinase group","TKL protein kinase group","CAMK protein kinase PHk family","CMGC protein kinase MAPK family","STE protein kinase STE7 family","Tyrosine protein kinase T
ec family","Tyrosine protein kinase Eph family","Tyrosine protein kinase Src family","CMGC protein kinase DYRK family","Tyrosine protein kinase Abl family","Tyrosine protein kinase EGFR family","STE p
rotein kinase STE20 family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Met family","Tyrosine protein kinase Axl family","CK1 protein kinase CK1 family","AGC protein kinase RSK fam
ily","CAMK protein kinase DAPK family","Other protein kinase NAK family","Other protein kinase NKF1 family","AGC protein kinase DMPK family","CAMK protein kinase MAPKAPK family","TKL protein kinase IR
AK family","TKL protein kinase RIPK family","CMGC protein kinase p38 subfamily","CMGC protein kinase JNK subfamily","CMGC protein kinase Dyrk2 subfamily","STE protein kinase SLK subfamily","CMGC prote
in kinase HIPK subfamily","AGC protein kinase RSK subfamily","AGC protein kinase CRIK subfamily","CMGC protein kinase Dyrk1 subfamily","CAMK protein kinase MNK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7",
"Sterile 11","Sterile 20 kinases","Receptor kinases","CK1: Casein kinase 1","AGC: Containing PKA",PKG,"PKC families","Phosphorylase kinase (PHK) family","Mitogen-activated protein kinases (MAP kinases
)","STE7 family","TK: Tyrosine kinase","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","STE20 family","Casein kinase 1 (CK1) family","RSK family","Death-associated kinas
e (DAPK) family","Other protein kinases","DMPK family","MAPK-Activated Protein Kinase (MAPKAPK) family","TKL: Tyrosine kinase-like","p38 subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor ty
rosine kinases (RTKs)","JNK subfamily","Dyrk2 subfamily","SLK subfamily","HIPK subfamily","RSK subfamily","Numb-associated kinase (NAK) family","NKF1 family","Other DMPK family kinases","Dyrk1 subfami
ly","MKN subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","Receptor interacting protein kinase (RIPK) family","Tec family","Type XIII RTKs: Ephrin receptor family","Src family","Abl
 family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XI RTK
s: TAM (TYRO3-","AXL- and MER-TK) receptor family"}

> <pathway_reactome>
{Metabolism,"Immune System","Signal Transduction","Developmental Biology","Gene expression (Transcription)",Disease,"Cell Cycle","Neuronal System","Vesicle-mediated transport","Metabolism of carbohydr
ates","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Nervous system development","RNA Polymerase II Transcription","Infectious disease","Signaling by GPCR",Mitotic,"Intracellular sig
naling by second messengers","Transmission across Chemical Synapses","Membrane Trafficking","Signaling by Rho GTPases","Glycogen metabolism","Toll-like Receptor Cascades","Signaling by NTRKs","Fc epsi
lon receptor (FCERI) signaling","Axon guidance","Generic Transcription Pathway","Leishmania infection","GPCR downstream signalling","Neutrophil degranulation","Signaling by Insulin receptor","Signalin
g by VEGF","Mitotic G2-G2/M phases","PIP3 activates AKT signaling","Neurotransmitter receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Budding","HIV Infection","RHO GTPase E
ffectors","Mitotic G1 phase and G1/S transition","Signaling by FGFR","Glycogen breakdown (glycogenolysis)","Toll Like Receptor 5 (TLR5) Cascade","Signaling by NTRK1 (TRKA)","FCERI mediated Ca+2 mobili
zation","EPH-Ephrin signaling","Transcriptional regulation by RUNX1","Transcriptional Regulation by TP53","Parasite infection","G alpha (q) signalling events","Semaphorin interactions","Insulin recept
or signalling cascade","VEGFA-VEGFR2 Pathway","G2/M Transition","Negative regulation of the PI3K/AKT network","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesi
s","PTEN Regulation","Host Interactions of HIV factors","RHO GTPases activate CIT","G0 and Early G1","Signaling by FGFR4","MyD88 cascade initiated on plasma membrane","Signalling to ERK5","EPHA-mediat
ed growth cone collapse","RUNX1 regulates transcription of genes involved in BCR signaling","Regulation of TP53 Activity","EPHB-mediated forward signaling","Leishmania phagocytosis","Gastrin-CREB sign
alling pathway via PKC and MAPK","Sema4D in semaphorin signaling","IRS-mediated signalling","Centrosome maturation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Post NMDA receptor activation even
ts","Regulation of PTEN stability and activity","The role of Nef in HIV-1 replication and disease pathogenesis","Signalling to ERKs","Negative regulation of FGFR4 signaling","MAP kinase activation","R
egulation of TP53 Activity through Phosphorylation","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","PI3K Cascade","Sema4D med
iated inhibition of cell attachment and migration","Loss of proteins required for interphase microtubule organization from the centrosome","CREB1 phosphorylation through NMDA receptor-mediated activat
ion of RAS signaling","Nef and signal transduction","Signalling to RAS","Long-term potentiation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Spry 
regulation of FGF signaling","MAPK targets/ Nuclear events mediated by MAP kinases","Loss of Nlp from mitotic centrosomes","RSK activation","p38MAPK events","Nef Mediated CD4 Down-regulation","activat
ed TAK1 mediates p38 MAPK activation","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{EGFR,ERBB2,ERBB4}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{SCHEMBL185621,ANW-73780,ANW73780,ANW-74863,ANW74863,NCGC00185000-02,NCGC0018500002,NCGC00185000-03,NCGC0018500003,Q27166502,T2303,Afatinib,BIBW2992}

> <pdid>
PD003240

> <targets>
{EGFR(HER),HER2,EGFR}

> <classes>
{}

> <pubchem_cids>
{57519523}

$$$$
Broad_2021
  SciTegic11012413022D

 38 42  0  0  1  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  0  0  0
    1.2990    0.7500    0.0000 N   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.9511    0.8815    0.0000 C   0  0
    4.9530    1.9978    0.0000 C   0  0
    4.2010    3.2957    0.0000 C   0  0
    2.7342    2.9815    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
   -1.3022    5.2508    0.0000 N   0  0
   -2.6030    5.9994    0.0000 C   0  0
   -3.8995    5.2449    0.0000 C   0  0
   -5.2011    5.9904    0.0000 C   0  0
   -5.2063    7.4904    0.0000 C   0  0
   -3.9099    8.2449    0.0000 C   0  0
   -2.6083    7.4994    0.0000 C   0  0
   -1.3127    8.2570    0.0000 O   0  0
   -1.3201    9.7570    0.0000 C   0  0
   -6.5071    8.2390    0.0000 C   0  0
   -7.8049    7.4868    0.0000 O   0  0
   -6.5102    9.7398    0.0000 N   0  0
   -7.8110   10.4884    0.0000 C   0  0
   -7.8163   11.9884    0.0000 C   0  0
   -9.1179   12.7339    0.0000 C   0  0
  -10.4143   11.9795    0.0000 N   0  0
  -11.7159   12.7250    0.0000 C   0  0
  -10.4092   10.4795    0.0000 C   0  0
   -9.1076    9.7340    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  4 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 21  1  0
 17 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 25  1  0
 12 32  2  0
 32 33  1  0
 33 34  2  0
 34 10  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 37  3  1  0
 37 38  2  0
M  END
> <name>
Broad_2021

> <id>
33596

> <plate>
Plate_1

> <well>
P06

> <supplier_cmpd_name>
BI 2536

> <ctcr_id>
1569

> <supplier_cmpd_id>
BI 2536

> <smiles>
CC[C@H]1N(C2CCCC2)c3nc(Nc4ccc(cc4OC)C(=O)NC5CCN(C)CC5)ncc3N(C)C1=O

> <pd_targets>
{PHKG2,TAOK1,CAMK2G,PRKD3,SLK,CHEK2,PRKCG,CSNK1G3,ALK,IRAK4,DAPK3,CSNK1D,EGFR,FER,CAMK2D,PRKD2,MINK1,RPS6KA3,MAP4K4,CLK2,PTK2,FES,PTK2B,CAMK2B,NEK4,INSR,CSNK1G1,CLK4,PLK3,CDC42BPA,MELK,NEK2,BRD4,MAPK7
,CLK3,MYO3A,RIOK1,GRK7,PLK1,MET,CAMK1D,STK10,PLK2,CIT,STK16,CSNK1G2,IRAK1,CDK7,CSNK1A1,TTK,DMPK,DAPK1,ABL1,BRDT,RPS6KA4,AAK1,HIPK1,TAOK3,HIPK2,MYLK,NIM1K,TAF1,GAK,CAMKK2,PIP4K2C,MAP3K19,CAMKK1,HIPK4,P
IK3CD,DAPK2,HUNK,CSNK1E,EIF2AK2,RPS6KA1,FLT3,MYO3B,STK33,NEK7,RPS6KA5,RPS6KA6,NEK3,PRKD1,RIOK3,CLK1,RPS6KA2,MAPK10,SYK,HIPK3,DCLK1,MERTK,CDK4,CAMK2A,LTK}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Kinase,Reader,Transferase,"Protein Kinase",Bromodomain,"CAMK protein kinase group","STE protein kinase group","AGC protein kinase group","CK1 protein kinase group","TKL 
protein kinase group","TK protein kinase group","CMGC protein kinase group","Other protein kinase group","Atypical protein kinase group","CAMK protein kinase PHk family","STE protein kinase STE20 fami
ly","CAMK protein kinase CAMK2 family","CAMK protein kinase PKD family","CAMK protein kinase RAD53 family","AGC protein kinase PKC family","CK1 protein kinase CK1 family","TKL protein kinase STKR fami
ly","TKL protein kinase IRAK family","CAMK protein kinase DAPK family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Fer family","AGC protein kinase RSK family","CMGC protein kinase C
LK family","Tyrosine protein kinase Fak family","Other protein kinase NEK family","Tyrosine protein kinase InsR family","Other protein kinase PLK family","AGC protein kinase DMPK family","CAMK protein
 kinase CAMK1 family","CMGC protein kinase MAPK family","Atypical protein kinase RIO family","AGC protein kinase GRK family","Tyrosine protein kinase Met family","Other protein kinase NAK family","CMG
C protein kinase CDK family","Other protein kinase TTK family","Tyrosine protein kinase Abl family","CMGC protein kinase DYRK family","CAMK protein kinase MLCK family","Other protein kinase CAMKK fami
ly","STE protein kinase STE11 family","Other protein kinase PEK family","Tyrosine protein kinase PDGFR family","CAMK protein kinase unique family","Tyrosine protein kinase Syk family","CAMK protein ki
nase DCAMK1 family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Alk family","STE protein kinase TAO subfamily","STE protein kinase SLK subfamily","AGC protein kinase PKC alpha subfam
ily","CK1 protein kinase CK1-g","TKL protein kinase STKR Type 1 subfamily","STE protein kinase MSN subfamily","AGC protein kinase RSK subfamily","AGC protein kinase GEK subfamily","CAMK protein kinase
 MELK subfamily","CMGC protein kinase ERK5","STE protein kinase NinaC subfamily","Atypical protein kinase RIO1 subfamily","AGC protein kinase GRK subfamily","Other protein kinase PLK2","AGC protein ki
nase CRIK subfamily","CMGC protein kinase CDK7 subfamily","AGC protein kinase MSK subfamily","CMGC protein kinase HIPK subfamily","CAMK protein kinase NIM1 subfamily","Other protein kinase Meta subfam
ily","Other protein kinase PKR","Other protein kinase Nek1","Atypical protein kinase RIO3 subfamily","CMGC protein kinase JNK subfamily"}

> <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","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase 1","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK famil
ies","Enzymatic bromodomain-containing proteins",Atypical,"Non-enzymatic BRD containing proteins","Lipid modifying kinases","Phosphorylase kinase (PHK) family","STE20 family","CAMK2 family","Protein k
inase D (PKD) family","CAMK-like (CAMKL) family","Protein kinase C (PKC) family","Casein kinase 1 (CK1) family","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","Death-associated kinase (DAPK) family
","RSK family","CLK family","Other protein kinases","DMPK family","Bromodomain kinase (BRDK) family","Mitogen-activated protein kinases (MAP kinases)","RIO family","G protein-coupled receptor kinases 
(GRKs)","CAMK1 family","Cyclin-dependent kinase (CDK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Myosin Light Chain Kinase (MLCK) family","TAF1 family","Ty
pe II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","CAMK-unique family","DCAMKL family","TAO subfamily","SLK subfamily","CH
K1 subfamily","Alpha subfamily","Receptor tyrosine kinases (RTKs)","Interleukin-1 receptor-associated kinase (IRAK) family","Non-receptor tyrosine kinases (nRTKs)","MSN subfamily","RSK subfamily","NIM
A (never in mitosis gene a)- related kinase (NEK) family","Polo-like kinase (PLK) family","GEK subfamily","MELK subfamily","ERK subfamily","NinaC subfamily","RIO1 subfamily","Opsin/rhodopsin kinases",
"Other DMPK family kinases","NAK family","CDK7 subfamily","TTK family","MSK subfamily","HIPK subfamily","NIM1 subfamily","Numb-associated kinase (NAK) family","CAMKK family","STE20 subfamily","HUNK su
bfamily","PEK family","RIO3 subfamily","JNK subfamily","CDK4 subfamily","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","
Fer family","Fak family","Type II RTKs: Insulin receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Abl family","Meta subfamily","Other PEK family kinases","Type III RTKs: 
PDGFR",CSFR,Kit,"FLT3 receptor family","Syk family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Neuronal System","Gene expression (Transcription)","Immune System","Programmed Cell Death","Signal Transduction","Cellular responses to external stimuli",Disease,"Development
al Biology","Metabolism of RNA","Muscle contraction","Vesicle-mediated transport",Hemostasis,"Metabolism of carbohydrates",Mitotic,"Transmission across Chemical Synapses","Metabolism of lipids","RNA P
olymerase II Transcription","Innate Immune System",Apoptosis,"Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","Cellular responses to stress","Infectious disease","Nervous system developmen
t","Cytokine Signaling in Immune system","Intracellular signaling by second messengers","rRNA processing","Signaling by Rho GTPases","Diseases of signal transduction by growth factor receptors and sec
ond messengers","Cardiac conduction","Membrane Trafficking","Cell surface interactions at the vascular wall","Glycogen metabolism","M Phase","Neurotransmitter receptors and postsynaptic signal transmi
ssion","Sphingolipid metabolism","Generic Transcription Pathway","Toll-like Receptor Cascades","Caspase activation via extrinsic apoptotic signalling pathway","Mitotic G2-G2/M phases","GPCR downstream
 signalling","Signaling by SCF-KIT","Cellular Senescence","Leishmania infection","Axon guidance","Signaling by Interleukins","PIP3 activates AKT signaling","Regulation of mitotic cell cycle","SARS-CoV
 Infections","rRNA processing in the nucleus and cytosol","Neutrophil degranulation","RHO GTPase Effectors","HIV Infection","Signaling by WNT in cancer","Ion homeostasis","Clathrin-mediated endocytosi
s","trans-Golgi Network Vesicle Budding","Influenza Infection","Signaling by Insulin receptor","Mitotic G1 phase and G1/S transition","Glycogen breakdown (glycogenolysis)","Mitotic Metaphase and Anaph
ase","Activation of NMDA receptors and postsynaptic events","Sphingolipid de novo biosynthesis","Transcriptional Regulation by TP53","Glutamate binding","activation of AMPA receptors and synaptic plas
ticity","Toll Like Receptor 2 (TLR2) Cascade","Caspase activation via Dependence Receptors in the absence of ligand","G2/M Transition","G alpha (q) signalling events","Oxidative Stress Induced Senesce
nce","Toll Like Receptor 5 (TLR5) Cascade","Parasite infection","Semaphorin interactions","Interleukin-2 family signaling","Negative regulation of the PI3K/AKT network","APC/C-mediated degradation of 
cell cycle proteins","Potential therapeutics for SARS","Major pathway of rRNA processing in the nucleolus and cytosol","G alpha (i) signalling events","Leishmania parasite growth and survival","RHO GT
Pases activate CIT","HIV Life Cycle","Signaling by AMER1 mutants","L1CAM interactions","Cargo recognition for clathrin-mediated endocytosis","RHO GTPases activate PAKs","Golgi Associated Vesicle Bioge
nesis",Interleukin-3,"Interleukin-5 and GM-CSF signaling","NS1 Mediated Effects on Host Pathways","Insulin receptor signalling cascade","Mitotic Prophase","G1 Phase","Mitotic Anaphase","Post NMDA rece
ptor activation events","Regulation of TP53 Activity","Trafficking of AMPA receptors","Toll Like Receptor TLR6:TLR2 Cascade","Centrosome maturation","Gastrin-CREB signalling pathway via PKC and MAPK",
"MyD88 cascade initiated on plasma membrane","Leishmania phagocytosis","CRMPs in Sema3A signaling","Interleukin-2 signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Activation of APC/C and A
PC/C:Cdc20 mediated degradation of mitotic proteins","Visual phototransduction","Sema4D in semaphorin signaling","Anti-inflammatory response favouring Leishmania parasite infection","Late Phase of HIV
 Life Cycle","Truncations of AMER1 destabilize the destruction complex","Recycling pathway of L1","Interleukin receptor SHC signaling","Inhibition of PKR","IRS-mediated signalling","Nuclear Envelope B
reakdown","Cyclin D associated events in G1","Separation of Sister Chromatids","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Regulation of TP53 Expression and Deg
radation","Trafficking of GluR2-containing AMPA receptors","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Loss of proteins required for interphase microtubule organization from the centrosom
e","EGFR Transactivation by Gastrin","MAP kinase activation","FCGR3A-mediated phagocytosis","Regulation of TP53 Activity through Phosphorylation","APC/C:Cdc20 mediated degradation of mitotic proteins"
,"The phototransduction cascade","Sema4D mediated inhibition of cell attachment and migration","CD163 mediating an anti-inflammatory response","Transcription of the HIV genome","Activation of AMPK dow
nstream of NMDARs","Regulation of TP53 Activity through Acetylation","Activation of RAC1 downstream of NMDARs","PI3K Cascade","Activation of NIMA Kinases NEK9",NEK6,NEK7,"FCGR3A-mediated IL10 synthesi
s","Ras activation upon Ca2+ influx through NMDA receptor","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","APC:Cdc20 med
iated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint",Inactivation,"recovery and regulation of the phototransduction cascade","activated TAK1 mediates p38 MAPK ac
tivation","HIV Transcription Elongation","HIV Transcription Initiation","PI5P Regulates TP53 Acetylation","RSK activation","CREB phosphorylation","APC-Cdc20 mediated degradation of Nek2A","ERK/MAPK ta
rgets","Tat-mediated elongation of the HIV-1 transcript","Activation of the AP-1 family of transcription factors","ERKs are inactivated","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{BRD4,PLK1,PLK2,PLK3}

> <broad_moa>
{"PLK inhibitor"}

> <synonyms>
{"BI 2536",755038-02-9,755038029,BI-2536,BI2536,UNII-4LJG22T9C6,UNII4LJG22T9C6,(R)-BI-2536,(R)BI2536,4LJG22T9C6,CHEMBL513909,C28H39N7O3,"US8598172, 5",R78,PubChem22397,cc-627,cc627,MLS006011060,SCHEMB
L372489,GTPL5666,BDBM25121,AOB1365,DTXSID20226442,SYN1019,BCPP000342,AMY24180,EX-A2350,EXA2350,T6173,S1109}

> <pdid>
PD003209

> <targets>
{PLK,PLK1}

> <classes>
{}

> <pubchem_cids>
{11364421}

$$$$
Broad_2021
  SciTegic11012413022D

 24 24  0  0  0  0            999 V2000
    8.8990    0.7552    0.0000 H   0  3
    6.3990    0.7552    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Br  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 13  1  0
 11 20  2  0
 20  7  1  0
 20 21  1  0
 21 22  2  0
 22  5  1  0
 22 23  1  0
 23 24  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
Broad_2021

> <id>
33597

> <plate>
Plate_1

> <well>
A07

> <supplier_cmpd_name>
PD 153035 hydrochloride

> <ctcr_id>
1013

> <supplier_cmpd_id>
PD 153035 hydrochloride

> <smiles>
[H+].[Cl-].COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC

> <pd_targets>
{ABL1,ABL2,MAPT,EGFR,MAPK1,KDM4E,ALOX15,LEF,BLM,HPGD,NFKB1,HSD17B10,PMP22,CYP3A4,GMNN,FBP1,PKMYT1,LMNA,RAF1,HIF1A,CYP2D6,CYP1A2,MAPK14,CHRM1,FFP,GLA,TP53,KMT2A,MEN1,ALDH1A1,MKNK1,SRC,LCK,KDR,EPHB2,TSH
R,ERBB2,CYP2C19,MAPK11,MAPK12,MAPK13,ALD,RORC,CDK1,ABL,ERBB4,CYP2C9,PDGFRB,ABCG2,GAK}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator","Unclassified protein","Other nuclear protein","Transcription factor","Membrane receptor",Kinase,Eraser,Oxidoreductase,Protease,"Cytochrome P45
0","Family A G protein-coupled receptor",Transferase,Hydrolase,Reader,"Protein Kinase","Lysine demethylase","Metallo protease","Cytochrome P450 family 3","Cytochrome P450 family 2","Cytochrome P450 fa
mily 1","Small molecule receptor (family A GPCR)",Bromodomain,"TK protein kinase group","CMGC protein kinase group","Jumonji domain-containing","Metallo protease MAE clan","Cytochrome P450 family 3A",
"Other protein kinase group","TKL protein kinase group","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Monoamine receptor","CAMK protein kinase group","Tyrosine protein kinase Abl family","T
yrosine protein kinase EGFR family","CMGC protein kinase MAPK family","Metallo protease M34 family","Cytochrome P450 3A4","Other protein kinase WEE family","TKL protein kinase RAF family","Cytochrome 
P450 2D6","Cytochrome P450 1A1","Acetylcholine receptor","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase Src family","CMGC protein kinase ERK1","CMGC protein kinase p38 subfamily","CAMK 
protein kinase MNK subfamily",Transporter,"Nuclear receptor","Primary active transporter","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","ATP-binding cassette","Glycohormone
 receptor","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group F","ABCG subfamily","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Eph family","Cytochrome P450 2C19
","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase CDK family","Cytochrome P450 2C9","Tyrosine protein kinase PDGFR family","Other protein kinase NAK family","CMGC protein 
kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Eicosanoid turnover","Cytochrome P450","G protein-coupled receptors","Receptor kinases","CMGC: Containing
 CDK",MAPK,GSK3,"CLK families","1.14.11.- Histone demethylases",Lipoxygenases,"Prostaglandin synthases","CYP3 family","CYP2 family: drug metabolising subset","CYP1 family","Acetylcholine receptors (mu
scarinic)","CAMK: Calcium/calmodulin-dependent protein kinases","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Other protein kinases","TKL: Tyrosine kinase-like","MAPK-Activa
ted Protein Kinase (MAPKAPK) family","Receptor tyrosine kinases (RTKs)","ERK subfamily","WEE family","RAF family","p38 subfamily","MKN subfamily","Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: 
ErbB (epidermal growth factor) receptor family","Src family",Transporters,"Nuclear hormone receptors","ATP-binding cassette transporter family","Glycoprotein hormone receptors","1F. Retinoic acid-rela
ted orphans","ABCG subfamily","Cyclin-dependent kinase (CDK) family","CDK1 subfamily","Numb-associated kinase (NAK) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","T
ype XIII RTKs: Ephrin receptor family","Abl family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Neuronal System","Signal Transduction","Immune System",Metabolism,Disease,"DNA Repair","Developmental Biology","Cell Cycle","Cellular responses to external stimuli","Transmission across Chemical Syn
apses","Signaling by GPCR","Innate Immune System","Metabolism of lipids","Infectious disease","DNA Double-Strand Break Repair","Cytokine Signaling in Immune system","Metabolism of amino acids and deri
vatives","Nervous system development",Mitotic,"Metabolism of carbohydrates","MAPK family signaling cascades","Cellular responses to stress","Biological oxidations","Cell Cycle Checkpoints","Signaling 
by Receptor Tyrosine Kinases","Neurotransmitter receptors and postsynaptic signal transmission","GPCR downstream signalling","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving med
iators (SPMs)","Uptake and actions of bacterial toxins","Homology Directed Repair","Signaling by Interleukins","Branched-chain amino acid catabolism","EGR2 and SOX10-mediated initiation of Schwann cel
l myelination","Mitotic G1 phase and G1/S transition","Glucose metabolism","Mitotic G2-G2/M phases","M Phase","MAPK1/MAPK3 signaling","Cellular response to hypoxia","Phase I - Functionalization of com
pounds","GPCR ligand binding","Sphingolipid metabolism","G1/S DNA Damage Checkpoints","Signaling by FGFR","Signaling by NTRKs","HIV Infection","Activation of NMDA receptors and postsynaptic events","G
 alpha (q) signalling events","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DPA-derived SPMs","Uptake and function of anthrax toxins","HDR through Homologous Recombination (HRR) or Single Str
and Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Interleukin-1 family signaling","G1/S Transition",Gluconeogenesis,"G2/M Transition","Mitotic Metaphase and Anaphase","RAF/MAP kinase cascade","
Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Glycosphingolipid metabolism","p53-Depe
ndent G1/S DNA damage checkpoint","Ethanol oxidation","Signaling by FGFR4","Signaling by NTRK1 (TRKA)","Host Interactions of HIV factors","Post NMDA receptor activation events","Gastrin-CREB signallin
g pathway via PKC and MAPK","MyD88 cascade initiated on plasma membrane","Biosynthesis of DPAn-3 SPMs","HDR through Homologous Recombination (HRR)","Biosynthesis of D-series resolvins","Interleukin-1 
signaling","Biosynthesis of maresins","Activation of the pre-replicative complex","Cyclin A/B1/B2 associated events during G2/M transition","Mitotic Anaphase","Negative regulation of MAPK pathway",Xen
obiotics,"Amine ligand-binding receptors","p53-Dependent G1 DNA Damage Response","Negative regulation of FGFR4 signaling","Signalling to ERKs","The role of Nef in HIV-1 replication and disease pathoge
nesis","Activation of AMPK downstream of NMDARs","EGFR Transactivation by Gastrin","MAP kinase activation","Biosynthesis of DPAn-3-derived protectins and resolvins","Homologous DNA Pairing and Strand 
Exchange","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Negative feedback regulation of MAPK pathway","CYP2E1 reactions","Aromati
c amines can be N-hydroxylated or N-dealkylated by CYP1A2","Muscarinic acetylcholine receptors","Stabilization of p53","Spry regulation of FGF signaling","Signalling to RAS","Nef-mediates down modulat
ion of cell surface receptors by recruiting them to clathrin adapters","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","Initiat
ion of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","p38MAPK events","Nef Mediated CD4 Down-regulation","ERK/MAPK targets","Activation of the AP-1 family of tra
nscription factors","ERKs are inactivated","Gene expression (Transcription)","Vesicle-mediated transport","RNA Polymerase II Transcription","Intracellular signaling by second messengers","Abacavir tra
nsport and metabolism","Membrane Trafficking","Signaling by VEGF","Axon guidance","Leishmania infection","Generic Transcription Pathway","Regulation of mitotic cell cycle","PIP3 activates AKT signalin
g","Abacavir transmembrane transport","trans-Golgi Network Vesicle Budding","VEGFA-VEGFR2 Pathway","EPH-Ephrin signaling","Leishmania parasite growth and survival","Semaphorin interactions","Transcrip
tional regulation by RUNX3","APC/C-mediated degradation of cell cycle proteins","Parasite infection","Negative regulation of the PI3K/AKT network","Golgi Associated Vesicle Biogenesis","VEGFR2 mediate
d cell proliferation","EPHB-mediated forward signaling","Anti-inflammatory response favouring Leishmania parasite infection","Sema4D in semaphorin signaling","RUNX3 Regulates Immune Response and Cell 
Migration","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Leishmania phagocytosis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","ADORA2B mediated anti-inflammatory
 cytokines production","Sema4D induced cell migration and growth-cone collapse","APC/C:Cdc20 mediated degradation of mitotic proteins","Long-term potentiation","FCGR3A-mediated phagocytosis","APC:Cdc2
0 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{EGFR,MAPK14}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{PD153035HCl,183322-45-4,183322454,"PD153035 hydrochloride","N-(3-Bromophenyl)-6,7-dimethoxyquinazolin-4-amine hydrochloride","N(3Bromophenyl)6,7dimethoxyquinazolin4amine hydrochloride","PD-153035 hyd
rochloride","PD153035 HCl","PD 153035 HYDROCHLORIDE","PD153035 (Hydrochloride)","AG 1517 hydrochlorid",S1079,"PD 153035"}

> <pdid>
PD002607

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

> <classes>
{}

> <pubchem_cids>
{11246488}

$$$$
Broad_2021
  SciTegic11012413022D

 36 40  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -7.7876   -1.5212    0.0000 C   0  0
   -9.0905   -0.7779    0.0000 O   0  0
   -7.7802   -3.0220    0.0000 N   0  0
   -9.0758   -3.7796    0.0000 C   0  0
   -9.0707   -5.2796    0.0000 C   0  0
  -10.3671   -6.0341    0.0000 C   0  0
  -11.6687   -5.2886    0.0000 C   0  0
  -12.9652   -6.0432    0.0000 C   0  0
  -11.6740   -3.7886    0.0000 C   0  0
  -12.9748   -3.0401    0.0000 N   0  0
  -12.9779   -1.5393    0.0000 C   0  0
  -14.1914   -0.6794    0.0000 S   0  0
  -13.7279    0.7471    0.0000 C   0  0
  -12.2279    0.7472    0.0000 C   0  0
  -11.7644   -0.6794    0.0000 N   0  0
  -11.3458    1.9613    0.0000 C   0  0
  -11.8503    3.3687    0.0000 C   0  0
  -10.8798    4.5124    0.0000 C   0  0
   -9.4040    4.2438    0.0000 C   0  0
   -8.8987    2.8315    0.0000 N   0  0
   -9.8692    1.6877    0.0000 C   0  0
  -10.3776   -3.0341    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 25  2  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 23 36  2  0
 36 18  1  0
M  END
> <name>
Broad_2021

> <id>
33598

> <plate>
Plate_1

> <well>
B07

> <supplier_cmpd_name>
Masitinib

> <ctcr_id>
1175

> <supplier_cmpd_id>
Masitinib

> <smiles>
CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4scc(n4)c5cccnc5)c3

> <pd_targets>
{EPHA8,LYN,ABL1,PDGFRA,KIT,FYN,DDR1,YES1,CSF1R,FGR,EGFR,PDGFRB,EPHA3,SRC,BLK,ERBB2,DDR2,LCK,BRAF,PIM3,HCK,PIM1,MAP3K20,ABL2,RIOK2,FRK,FGFR3,FGFR1,FGFR2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","CAMK protein kinase group","Atypical protein kinase group","Tyrosine protein kinase Eph family","Tyrosine protein 
kinase Src family","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase DDR family","Tyrosine protein kinase EGFR family","TKL protein kinase RAF family
","CAMK protein kinase PIM family","TKL protein kinase MLK family","Atypical protein kinase RIO family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase SrcA","TKL protein kinase MLK sub
family","Atypical protein kinase RIO2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases",Atypical,"TK: Tyrosine kinase","TKL: Tyrosine kinase-like","PIM 
family","RIO family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","RAF family","Mixed Lineage Kinase (MLK) family","RIO2 subfamily","Type XIII RTKs: Ephrin receptor famil
y","Src family","Abl family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XVI RTKs: DDR (collagen receptor) family","Type I RTKs: ErbB (epidermal growth factor) receptor family","MLK s
ubfamily","Type V RTKs: FGF (fibroblast growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology",Disease,"Extracellular matrix organization","Gene expression (Transcription)","Signal Transduction","Metabolism of RNA","Nervous system development","Infectious disease","Dise
ases of signal transduction by growth factor receptors and second messengers","Non-integrin membrane-ECM interactions","RNA Polymerase II Transcription","Signaling by GPCR","Intracellular signaling by
 second messengers","Signaling by Receptor Tyrosine Kinases","rRNA processing","Axon guidance","Leishmania infection","Signaling by PDGFR in disease","Signaling by KIT in disease","HIV Infection","Gen
eric Transcription Pathway","GPCR downstream signalling","PIP3 activates AKT signaling","Signaling by NTRKs","FLT3 signaling in disease","rRNA processing in the nucleus and cytosol","Signaling by FGFR
 in disease","EPH-Ephrin signaling","Leishmania parasite growth and survival","Parasite infection","Drug resistance of PDGFR mutants","Drug resistance of KIT mutants","Host Interactions of HIV factors
","Transcriptional Regulation by VENTX","G alpha (q) signalling events","Negative regulation of the PI3K/AKT network","Signaling by NTRK1 (TRKA)","Transcriptional regulation by RUNX1","Semaphorin inte
ractions","Signaling by FLT3 ITD and TKD mutants","Signaling by ROBO receptors","Major pathway of rRNA processing in the nucleolus and cytosol","PTEN Regulation","Signaling by FGFR3 in disease","Signa
ling by FGFR1 in disease","Signaling by FGFR2 in disease","EPHA-mediated growth cone collapse","Anti-inflammatory response favouring Leishmania parasite infection","Leishmania phagocytosis","Imatinib-
resistant PDGFR mutants","Dasatinib-resistant KIT mutants","The role of Nef in HIV-1 replication and disease pathogenesis","Gastrin-CREB signalling pathway via PKC and MAPK",PI5P,"PP2A and IER3 Regula
te PI3K/AKT Signaling","Signalling to ERKs","RUNX1 regulates transcription of genes involved in BCR signaling","Sema4D in semaphorin signaling","STAT5 activation downstream of FLT3 ITD mutants","Role 
of ABL in ROBO-SLIT signaling","Regulation of PTEN stability and activity","Signaling by FGFR3 point mutants in cancer","FGFR1 mutant receptor activation","FGFR2 mutant receptor activation","FCGR3A-me
diated IL10 synthesis","FCGR3A-mediated phagocytosis","Nef and signal transduction","EGFR Transactivation by Gastrin","Signalling to RAS","Sema4D induced cell migration and growth-cone collapse","Nef-
mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Prolonged ERK activation events","FGFR3 mutant receptor activation","Signaling by activated point mutants o
f FGFR1","Activated point mutants of FGFR2","p38MAPK events","Nef Mediated CD4 Down-regulation","ARMS-mediated activation","Signaling by activated point mutants of FGFR3"}

> <broad_targets>
{FGFR3,KIT,PDGFRA,PDGFRB}

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

> <synonyms>
{s1064,ZINC34177219,AKOS005146325,Masitinib,790299-79-5,790299795,"790299 79 5",AB1010,Masatinib,"Masitinib (AB1010)",AB-1010,"AB 1010",Masivet,UNII-M59NC4E26P,UNIIM59NC4E26P,"UNII M59NC4E26P","Masiti
nib (INN)",M59NC4E26P,CHEMBL1908391,CHEBI:63450,MFCD09954132,C28H30N6OS,"Kinavet CA-1","Kinavet CA1","Kinavet CA 1",Mastinib,G65,Mas,T2609,S1064,masitinib,Masitinib(AB1010),MASITINIB}

> <pdid>
PD003354

> <targets>
{"c-Kit | VEGFR-PDGFR",c-Kit,FGFR,PDGFR,Apoptosis,FAK,Src}

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

> <pubchem_cids>
{10074640}

$$$$
Broad_2021
  SciTegic11012413022D

 64 71  0  0  1  0            999 V2000
    2.3980    5.1974    0.0000 C   0  0
    1.0617    4.5159    0.0000 C   0  0
   -0.2000    5.2900    0.0000 C   0  0  2  0  0  0
   -0.2341    6.7896    0.0000 O   0  0
   -0.2000    4.0900    0.0000 C   0  0
   -1.2300    3.5100    0.0000 C   0  0  1  0  0  0
   -2.2500    4.0900    0.0000 C   0  0
   -2.2500    5.2900    0.0000 N   0  3
   -3.9200    5.5000    0.0000 C   0  0
   -5.4100    4.7800    0.0000 C   0  0
   -5.7000    3.1300    0.0000 C   0  0
   -4.9700    1.7900    0.0000 C   0  0
   -6.0100    0.6800    0.0000 N   0  0
   -7.4000    1.3200    0.0000 C   0  0
   -8.8100    0.7400    0.0000 C   0  0
  -10.0200    1.6700    0.0000 C   0  0
   -9.8300    3.1800    0.0000 C   0  0
   -8.4200    3.7700    0.0000 C   0  0
   -7.2000    2.8400    0.0000 C   0  0
   -3.3800    1.2800    0.0000 C   0  0  1  0  0  0
   -1.8700    1.9700    0.0000 C   0  0
   -4.3011    0.1350    0.0000 C   0  0
   -5.7734    0.4218    0.0000 O   0  0
   -3.8135   -1.2844    0.0000 O   0  0
   -4.7977   -2.4164    0.0000 C   0  0
   -2.3301    0.2513    0.0000 C   0  0
   -2.7110   -1.1720    0.0000 C   0  0
   -1.6165   -2.2180    0.0000 C   0  0
   -0.2693   -1.8150    0.0000 C   0  0
    0.1414   -0.3694    0.0000 C   0  0
   -0.9061    0.6597    0.0000 C   0  0
   -0.5303    2.1129    0.0000 O   0  0
    0.4332    2.3808    0.0000 C   0  0
    0.6269   -3.0200    0.0000 N   0  0
    2.1267   -3.0420    0.0000 C   0  0
   -0.2779   -4.1651    0.0000 C   0  0  1  0  0  0
   -0.0140   -5.6041    0.0000 C   0  0  2  0  0  0
    1.0936   -4.5926    0.0000 O   0  0
   -1.1529   -6.6124    0.0000 C   0  0  2  0  0  0
   -0.8799   -8.0880    0.0000 O   0  0
    0.5342   -8.5906    0.0000 C   0  0
    1.2952   -7.9418    0.0000 C   0  0
    0.8068  -10.0656    0.0000 O   0  0
   -2.5335   -6.1188    0.0000 C   0  0  2  0  0  0
   -2.2630   -7.5946    0.0000 C   0  0
   -3.0242   -8.2431    0.0000 C   0  0
   -3.6287   -7.0542    0.0000 C   0  0
   -5.0406   -6.5494    0.0000 C   0  0
   -5.3459   -4.5824    0.0000 C   0  0
   -4.0445   -3.8623    0.0000 N   0  3
   -3.7291   -2.4358    0.0000 C   0  0
   -2.2452   -2.2939    0.0000 C   0  0
   -1.6741   -3.6659    0.0000 C   0  0  2  0  0  0
   -2.8019   -4.6427    0.0000 C   0  0  2  0  0  0
    0.2302   -7.0636    0.0000 C   0  0
    1.1755   -7.3898    0.0000 O   0  0
   -0.9029   -8.0479    0.0000 O   0  0
   -0.6181   -9.5206    0.0000 C   0  0
   -1.2300    5.8900    0.0000 C   0  0
    8.2352    0.9101    0.0000 O   0  5
    8.2352   -0.5899    0.0000 S   0  0
    8.2352   -2.0899    0.0000 O   0  5
    6.9359   -1.3395    0.0000 O   0  0
    9.5344   -1.3395    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  6  5  1  6
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 14  1  0
 12 20  1  0
 20 21  1  0
 21  6  1  0
 20 22  1  1
 22 23  2  0
 22 24  1  0
 24 25  1  0
 20 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 31 32  1  0
 32 33  1  0
 29 34  1  0
 34 35  1  0
 36 34  1  1
 36 37  1  0
 37 38  1  6
 37 39  1  0
 39 40  1  6
 40 41  1  0
 41 42  1  0
 41 43  2  0
 39 44  1  0
 44 45  1  1
 45 46  1  0
 44 47  1  0
 47 48  2  3
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 53 52  1  6
 53 28  1  0
 53 36  1  0
 53 54  1  0
 54 44  1  0
 54 50  1  6
 37 55  1  0
 55 56  2  0
 55 57  1  0
 57 58  1  0
  8 59  1  0
 59  3  1  0
 60 61  1  0
 61 62  1  0
 61 63  2  0
 61 64  2  0
M  CHG  4   8   1  50   1  60  -1  62  -1
M  END
> <name>
Broad_2021

> <id>
33599

> <plate>
Plate_1

> <well>
C07

> <supplier_cmpd_name>
LE 135

> <ctcr_id>
136

> <supplier_cmpd_id>
LE 135

> <smiles>
CC[C@]1(O)C[C@H]2C[NH+](CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[C@H]7[C@](O)([C@H](OC(C)=O)[C@]8(CC)C=CC[NH+]9CC[C@]67[C@H]89)C(=O)OC)C1.[O-][S]([O-])(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Vinblastine sulfate",143-67-9,143679,"Vincaleukoblastine sulfate","VLB monosulfate","Vinblastine 5","Vinblastine sulphate","Velban (TN)","Exal (TN)","Vincaleukoblastine sulfate (1:1) (salt)","Belvan
, VLB","NSC 49842",CHEBI:9984,"Vincaleucoblastine sulf",49842,NSC49842,"NSC 49842
NSC 49842","LE 135"}

> <pdid>

> <targets>
{RAR}

> <classes>
{"Microtubule inhibitor"}

> <pubchem_cids>
{241902,44663491}

$$$$
Broad_2021
  SciTegic11012413022D

 37 33  0  0  0  0            999 V2000
   20.1834   -2.2565    0.0000 Cl  0  5
   17.6834   -2.2565    0.0000 Cl  0  5
   15.1834   -2.2565    0.0000 Cl  0  5
   -9.1108   -5.1959    0.0000 C   0  0
   -7.8154   -5.9522    0.0000 C   0  0
   -6.5115   -5.2090    0.0000 N   0  0
   -6.5007   -3.7082    0.0000 C   0  0
   -5.1967   -2.9668    0.0000 C   0  0
   -5.2155   -5.9657    0.0000 C   0  0
   -3.9116   -5.2225    0.0000 C   0  0
   -2.6155   -5.9792    0.0000 C   0  0
   -1.3117   -5.2360    0.0000 C   0  0
   -1.3039   -3.7360    0.0000 C   0  0
   -0.0156   -5.9927    0.0000 N   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 N   0  0
    3.8864   -5.2585    0.0000 C   0  0
    5.1828   -6.0130    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 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 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 N   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 N   0  0
   12.6834   -2.2565    0.0000 H   0  3
   10.1834   -2.2565    0.0000 H   0  3
    7.6834   -2.2565    0.0000 H   0  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 30 32  1  0
 32 25  1  0
 32 33  2  0
 33 22  1  0
 20 34  2  0
 34 15  1  0
M  CHG  6   1  -1   2  -1   3  -1  35   1  36   1  37   1
M  END
> <name>
Broad_2021

> <id>
33600

> <plate>
Plate_1

> <well>
D07

> <supplier_cmpd_name>
NSC 23766 (trihydrochloride)

> <ctcr_id>
6115

> <supplier_cmpd_id>
NSC 23766 (trihydrochloride)

> <smiles>
[Cl-].[Cl-].[Cl-].CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1.[H+].[H+].[H+]

> <pd_targets>
{RAC1,MAPT}

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

> <pathway_chembl>
{}

> <pathway_reactome>
{"Developmental Biology","Neuronal System","Nervous system development","Transmission across Chemical Synapses","Axon guidance","Neurotransmitter receptors and postsynaptic signal transmission","Semap
horin interactions","Activation of NMDA receptors and postsynaptic events","Sema4D in semaphorin signaling","Post NMDA receptor activation events","Sema4D mediated inhibition of cell attachment and mi
gration","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
{}

> <broad_moa>
{"Ras GTPase inhibitor"}

> <synonyms>
{"Nsc 23766",1177865-17-6,1177865176,"NSC 23766 trihydrochloride","NSC 23766 (trihydrochloride)","NSC23766 trihydrochloride","NSC23766  3HCl salt",NSC23766,"Rac1 Inhibitor","1177865-17-6 (HCl)","11778
65176 (HCl)","NSC23766 3HCl salt",C24H35N7.3ClH,NSC23766.3HCl,"NSC 23766 3",13196,S8031,NSC23766(hydrochloride),"NSC 23766"}

> <pdid>
PD003592

> <targets>
{Rac}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{16759159}

$$$$
Broad_2021
  SciTegic11012413022D

 49 51  0  0  1  0            999 V2000
    2.5815  -10.5016    0.0000 C   0  0
    3.8834   -9.7566    0.0000 C   0  0
    3.8868   -8.7566    0.0000 C   0  0
    5.1807  -10.5111    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0  2  0  0  0
    6.4855   -8.2648    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    4.3204   -8.0102    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0  1  0  0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0  1  0  0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2956   -3.7547    0.0000 N   0  0
    1.2951   -5.2556    0.0000 C   0  0
    2.5942   -6.0056    0.0000 O   0  0
   -0.0044   -6.0064    0.0000 O   0  0
   -0.0049   -7.5072    0.0000 C   0  0
   -1.3037   -8.2576    0.0000 C   0  0
    1.2942   -8.2572    0.0000 C   0  0
   -0.0046   -9.0072    0.0000 C   0  0
    6.4920   -5.2654    0.0000 C   0  0
    7.7894   -6.0199    0.0000 C   0  0
    9.0924   -5.2768    0.0000 C   0  0
   10.3875   -6.0335    0.0000 C   0  0
   10.3797   -7.5335    0.0000 C   0  0
    9.0768   -8.2767    0.0000 C   0  0
    7.7816   -7.5200    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  1  0  0  0
    9.0755  -14.2734    0.0000 C   0  0
   10.3737  -15.0265    0.0000 C   0  0
   10.3737  -16.5266    0.0000 C   0  0
   11.6728  -17.2766    0.0000 C   0  0
   12.9718  -16.5266    0.0000 C   0  0
   12.9719  -15.0266    0.0000 C   0  0
   11.6728  -14.2766    0.0000 C   0  0
   10.3802  -12.0271    0.0000 C   0  0
   10.3854  -10.5271    0.0000 N   0  0
   11.6769  -12.7812    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  1
 10 11  1  0
 11 12  1  6
 11 13  1  0
 13 14  1  1
 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
 13 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
  9 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
  5 36  1  0
 36 37  2  0
 36 38  1  0
 39 38  1  6
 39 40  1  0
 40 41  1  0
 41 42  2  0
 42 43  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 46 41  1  0
 39 47  1  0
 47 48  1  0
 47 49  2  0
M  END
> <name>
Broad_2021

> <id>
33601

> <plate>
Plate_1

> <well>
E07

> <supplier_cmpd_name>
L-685,458

> <ctcr_id>
8332

> <supplier_cmpd_id>
L-685,458

> <smiles>
CC(C)C[C@H](NC(=O)[C@@H](C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc2ccccc2)C(=O)N[C@@H](Cc3ccccc3)C(N)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"l685,458",292632-98-5,292632985,L-685458,L685458,CHEMBL302004,CHEBI:74921,L-68458,L68458,FTO,"InSolution&trade; gamma-Secretase Inhibitor X","InSolution&trade; gammaSecretase Inhibitor X",SCHEMBL319
7800,AOB5511,EX-A2420,EXA2420,BDBM50100434,ZINC26179223,AKOS024457203,ACN-053676,ACN053676,CS-5258,CS5258,NCGC00165962-01,NCGC0016596201,AS-75177,AS75177,HY-19369,HY19369,L,T6870,2627,"L-685,458"}

> <pdid>
PD003636

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5479543}

$$$$
Broad_2021
  SciTegic11012413022D

 65 72  0  0  1  0            999 V2000
    2.3980    5.1974    0.0000 C   0  0
    1.0617    4.5159    0.0000 C   0  0
   -0.2000    5.2900    0.0000 C   0  0  2  0  0  0
   -0.2341    6.7896    0.0000 O   0  0
   -0.2000    4.0900    0.0000 C   0  0
   -1.2300    3.5100    0.0000 C   0  0  2  0  0  0
   -2.2500    4.0900    0.0000 C   0  0
   -2.2500    5.2900    0.0000 N   0  0
   -3.9200    5.5000    0.0000 C   0  0
   -5.4100    4.7800    0.0000 C   0  0
   -5.7000    3.1300    0.0000 C   0  0
   -4.9700    1.7900    0.0000 C   0  0
   -6.0100    0.6800    0.0000 N   0  0
   -7.4000    1.3200    0.0000 C   0  0
   -8.8100    0.7400    0.0000 C   0  0
  -10.0200    1.6700    0.0000 C   0  0
   -9.8300    3.1800    0.0000 C   0  0
   -8.4200    3.7700    0.0000 C   0  0
   -7.2000    2.8400    0.0000 C   0  0
   -3.3800    1.2800    0.0000 C   0  0  1  0  0  0
   -1.8700    1.9700    0.0000 C   0  0
   -4.3011    0.1350    0.0000 C   0  0
   -5.7734    0.4218    0.0000 O   0  0
   -3.8135   -1.2844    0.0000 O   0  0
   -4.7977   -2.4164    0.0000 C   0  0
   -2.3301    0.2513    0.0000 C   0  0
   -2.7110   -1.1720    0.0000 C   0  0
   -1.6165   -2.2180    0.0000 C   0  0
   -0.2693   -1.8150    0.0000 C   0  0
    0.1414   -0.3694    0.0000 C   0  0
   -0.9061    0.6597    0.0000 C   0  0
   -0.5303    2.1129    0.0000 O   0  0
    0.4332    2.3808    0.0000 C   0  0
    0.6269   -3.0200    0.0000 N   0  0
    2.1244   -3.0533    0.0000 C   0  0
    2.8460   -4.3683    0.0000 O   0  0
   -0.2779   -4.1651    0.0000 C   0  0  1  0  0  0
   -0.0140   -5.6041    0.0000 C   0  0  2  0  0  0
    1.0936   -4.5926    0.0000 O   0  0
   -1.1529   -6.6124    0.0000 C   0  0  2  0  0  0
   -0.8799   -8.0880    0.0000 O   0  0
    0.5342   -8.5906    0.0000 C   0  0
    1.2952   -7.9418    0.0000 C   0  0
    0.8068  -10.0656    0.0000 O   0  0
   -2.5335   -6.1188    0.0000 C   0  0  2  0  0  0
   -2.2630   -7.5946    0.0000 C   0  0
   -3.0242   -8.2431    0.0000 C   0  0
   -3.6287   -7.0542    0.0000 C   0  0
   -5.0406   -6.5494    0.0000 C   0  0
   -5.3459   -4.5824    0.0000 C   0  0
   -4.0445   -3.8623    0.0000 N   0  0
   -3.7291   -2.4358    0.0000 C   0  0
   -2.2452   -2.2939    0.0000 C   0  0
   -1.6741   -3.6659    0.0000 C   0  0  2  0  0  0
   -2.8019   -4.6427    0.0000 C   0  0  2  0  0  0
    0.2302   -7.0636    0.0000 C   0  0
    1.1755   -7.3898    0.0000 O   0  0
   -0.9029   -8.0479    0.0000 O   0  0
   -0.6181   -9.5206    0.0000 C   0  0
   -1.2300    5.8900    0.0000 C   0  0
    8.2352    0.9101    0.0000 O   0  0
    8.2352   -0.5899    0.0000 S   0  0
    8.2352   -2.0899    0.0000 O   0  0
    6.9359   -1.3395    0.0000 O   0  0
    9.5344   -1.3395    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  6  5  1  1
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 14  1  0
 12 20  1  0
 20 21  1  0
 21  6  1  0
 20 22  1  1
 22 23  2  0
 22 24  1  0
 24 25  1  0
 20 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 31 32  1  0
 32 33  1  0
 29 34  1  0
 34 35  1  0
 35 36  2  0
 37 34  1  1
 37 38  1  0
 38 39  1  6
 38 40  1  0
 40 41  1  6
 41 42  1  0
 42 43  1  0
 42 44  2  0
 40 45  1  0
 45 46  1  1
 46 47  1  0
 45 48  1  0
 48 49  2  3
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 54 53  1  6
 54 28  1  0
 54 37  1  0
 54 55  1  0
 55 45  1  0
 55 51  1  6
 38 56  1  0
 56 57  2  0
 56 58  1  0
 58 59  1  0
  8 60  1  0
 60  3  1  0
 61 62  1  0
 62 63  1  0
 62 64  2  0
 62 65  2  0
M  END
> <name>
Broad_2021

> <id>
33602

> <plate>
Plate_1

> <well>
F07

> <supplier_cmpd_name>
Vincristine (sulfate)

> <ctcr_id>
4962

> <supplier_cmpd_id>
Vincristine (sulfate)

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

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

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

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

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

> <broad_targets>
{TUBA4A,TUBB}

> <broad_moa>
{"tubulin polymerization inhibitor"}

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

> <pdid>
PD003310

> <targets>
{Apoptosis,Microtubule/Tubulin}

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

> <pubchem_cids>
{5388992}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33603

> <plate>
Plate_1

> <well>
G07

> <supplier_cmpd_name>
Triptolide

> <ctcr_id>
3368

> <supplier_cmpd_id>
Triptolide

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 18 20  0  0  1  0            999 V2000
    1.7999   -5.7187    0.0000 C   0  0
    2.5525   -4.4212    0.0000 C   0  0  2  0  0  0
    3.3694   -5.6356    0.0000 C   0  0
    4.7965   -5.1735    0.0000 C   0  0
    4.7981   -3.6735    0.0000 C   0  0
    3.3720   -3.2085    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 N   0  0
   -3.8983   -0.7459    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  2  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 13 17  2  0
 17  9  1  0
 17 18  1  0
 18  7  2  0
M  END
> <name>
Broad_2021

> <id>
33604

> <plate>
Plate_1

> <well>
H07

> <supplier_cmpd_name>
Veliparib

> <ctcr_id>
3738

> <supplier_cmpd_id>
Veliparib

> <smiles>
C[C@@]1(CCCN1)c2[nH]c3cccc(C(N)=O)c3n2

> <pd_targets>
{PARP12,PARP3,PARP10,TNKS2,PARP1,PARP2,TNKS,PARP14,PARP4}

> <pathway_gtopdb>
{Enzyme,Transferase}

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

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

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BT88,Veliparib,912444-00-9,912444009,ABT-888,ABT888,"ABT 888","ABT-888 (Veliparib)","ABT888 (Veliparib)",(R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo(d)imidazole-4-carboxamide,(R)2(2methylpyrrolidin2yl)1
Hbenzo(d)imidazole4carboxamide,"Veliparib free base",UNII-01O4K0631N,UNII01O4K0631N,2-((2R)-2-Methylpyrrolidin-2-yl)-1H-benzimidazole-4-carboxamide,2((2R)2Methylpyrrolidin2yl)1Hbenzimidazole4carboxami
de,2-((2R)-2,2((2R)2,T2591,S1004,veliparib}

> <pdid>
PD003637

> <targets>
{PARP,Autophagy}

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

> <pubchem_cids>
{11960529}

$$$$
Broad_2021
  SciTegic11012413022D

 14 15  0  0  0  0            999 V2000
   -1.1705   -4.4017    0.0000 C   0  0
   -0.6001   -3.0144    0.0000 O   0  0
    0.8873   -2.8137    0.0000 C   0  0
    1.4440   -1.4074    0.0000 C   0  0
    2.9458   -1.2253    0.0000 C   0  0
    3.5167    0.1618    0.0000 O   0  0
    0.1097   -0.7860    0.0000 N   0  0
   -1.3709   -1.4257    0.0000 C   0  0
   -1.5537    0.0000    0.0000 C   0  0
    0.0000    0.5484    0.0000 C   0  0
    0.0000    2.1386    0.0000 C   0  0
    0.3656    1.0236    0.0000 C   0  0
    1.1881    0.0000    0.0000 C   0  0
    2.3739    0.9186    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  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  4  1  0
 13 14  2  0
M  END
> <name>
Broad_2021

> <id>
33605

> <plate>
Plate_1

> <well>
I07

> <supplier_cmpd_name>
PRIMA-1MET

> <ctcr_id>
16113

> <supplier_cmpd_id>
PRIMA-1MET

> <smiles>
COCC1(CO)N2CCC(CC2)C1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{APR-246,PRIMA-1Met,HY-19980,Eprenetapopt,Eprenetapopt}

> <pdid>
PD003445

> <targets>
{Apoptosis,Autophagy,Ferroptosis,MDM-2/p53}

> <classes>
{Apoptosis,Autophagy}

> <pubchem_cids>
.

$$$$
Broad_2021
  SciTegic11012413022D

 26 27  0  0  0  0            999 V2000
   -3.9066   -3.7313    0.0000 C   0  0
   -2.6048   -2.9861    0.0000 C   0  0
   -3.9011   -2.2315    0.0000 C   0  0
   -2.5997   -1.4861    0.0000 C   0  0
   -1.3074   -3.7406    0.0000 O   0  0
   -0.0048   -2.9950    0.0000 C   0  0
    0.0003   -1.4950    0.0000 O   0  0
    1.2926   -3.7495    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8934   -3.7569    0.0000 C   0  0
    3.8913   -5.2577    0.0000 C   0  0
    5.1019   -6.1217    0.0000 S   0  0
    4.6336   -7.5467    0.0000 C   0  0
    3.1336   -7.5416    0.0000 C   0  0
    2.6749   -6.1134    0.0000 C   0  0
    5.5076   -8.7636    0.0000 N   0  3
    7.0001   -8.6145    0.0000 O   0  5
    4.8908  -10.1309    0.0000 O   0  0
    2.5973   -1.5030    0.0000 C   0  0
    3.8977   -0.7537    0.0000 C   0  0
    3.9020    0.7463    0.0000 C   0  0
    5.2032    1.4925    0.0000 C   0  0
    6.5001    0.7388    0.0000 C   0  0
    7.8012    1.4851    0.0000 Cl  0  0
    6.4957   -0.7612    0.0000 C   0  0
    5.1946   -1.5074    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  2  0
 13 16  1  0
 16 17  1  0
 16 18  2  0
  9 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 20  1  0
M  CHG  2  16   1  17  -1
M  END
> <name>
Broad_2021

> <id>
33606

> <plate>
Plate_1

> <well>
J07

> <supplier_cmpd_name>
GSK4112

> <ctcr_id>
8347

> <supplier_cmpd_id>
GSK4112

> <smiles>
CC(C)(C)OC(=O)CN(Cc1sc(cc1)[N+]([O-])=O)Cc2ccc(Cl)cc2

> <pd_targets>
{NR1D1,NR1H3}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group D","Nuclear hormone receptor subfamily 1 group H","Nuclear hormone recepto
r subfamily 1 group D member 1","Nuclear hormone receptor subfamily 1 group H member 3"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1D. Rev-Erb receptors","1H. Liver X receptor-like receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins","RNA Polymerase II Transcription","Post-translational protein modification","Generic Transcription Pathway",SUMOylation,"Nuclear Receptor tr
anscription pathway","SUMO E3 ligases SUMOylate target proteins","SUMOylation of intracellular receptors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{GSK4112,1216744-19-2,1216744192,SR6452,"GSK 4112",GSK-4112,CHEMBL1961795,MLS006010708,"Rev-erbalpha agonist GS4112","Reverbalpha agonist GS4112",GTPL2903,SCHEMBL1229706,HMS3740E07,BCP16467,BDBM503836
84,s5182,ZINC84559538,AKOS024457736,CS-5252,CS5252,"SR 6452",SR-6452,NCGC00242476-01,NCGC0024247601,NCGC002424,T5045,3663}

> <pdid>
PD003322

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{50905018}

$$$$
Broad_2021
  SciTegic11012413022D

 56 58  0  0  1  0            999 V2000
   -7.9737   -1.1388    0.0000 C   0  0
   -6.7301   -1.9776    0.0000 C   0  0
   -5.3800   -1.3200    0.0000 C   0  0  1  0  0  0
   -4.1300   -2.2400    0.0000 C   0  0
   -3.0800   -1.1200    0.0000 C   0  0
   -2.1300   -1.9800    0.0000 C   0  0  1  0  0  0
   -2.1500   -3.5200    0.0000 O   0  0
   -0.8200   -4.3000    0.0000 C   0  0  2  0  0  0
    0.4600   -5.0900    0.0000 C   0  0
    0.4400   -6.6600    0.0000 C   0  0
   -0.8700   -7.4000    0.0000 C   0  0  1  0  0  0
   -0.8863   -8.8999    0.0000 C   0  0
   -2.2000   -6.6100    0.0000 C   0  0  1  0  0  0
   -3.5082   -7.3448    0.0000 C   0  0
   -3.5269   -8.8455    0.0000 C   0  0  2  0  0  0
   -2.2371   -9.6112    0.0000 C   0  0
   -4.8347   -9.5801    0.0000 O   0  0
   -2.1800   -5.0700    0.0000 O   0  0
    0.4600   -3.5700    0.0000 C   0  0  2  0  0  0
    1.7498   -4.3358    0.0000 C   0  0
    0.4900   -2.0000    0.0000 C   0  0  1  0  0  0
    1.8400   -1.2700    0.0000 O   0  0
    3.1700   -2.0600    0.0000 C   0  0
    3.1512   -3.5599    0.0000 O   0  0
    4.4900   -1.3200    0.0000 C   0  0
    4.5100    0.2000    0.0000 C   0  0
    5.8900    0.8100    0.0000 C   0  0  1  0  0  0
    7.1228   -0.0445    0.0000 C   0  0
    5.9800    2.3700    0.0000 C   0  0  2  0  0  0
    7.3461    2.9895    0.0000 O   0  0
    4.7600    3.3200    0.0000 C   0  0  1  0  0  0
    3.3975    2.6925    0.0000 C   0  0
    4.8300    4.8400    0.0000 C   0  0
    6.1701    5.5138    0.0000 O   0  0
    3.4500    5.7700    0.0000 C   0  0  1  0  0  0
    3.4645    7.2699    0.0000 C   0  0
    2.1500    4.9300    0.0000 C   0  0  2  0  0  0
    2.0870    3.4313    0.0000 O   0  0
    0.9200    5.8800    0.0000 C   0  0  1  0  0  0
    0.9625    7.3794    0.0000 C   0  0
   -0.3200    5.0300    0.0000 C   0  0
   -0.3617    3.5306    0.0000 O   0  0
   -1.5400    5.9700    0.0000 C   0  0  1  0  0  0
   -2.8221    6.7485    0.0000 C   0  0
   -0.2027    6.6495    0.0000 O   0  0
   -2.8200    5.1300    0.0000 C   0  0  2  0  0  0
   -2.7875    3.6304    0.0000 O   0  0
   -4.2800    6.0000    0.0000 C   0  0  1  0  0  0
   -4.3125    7.4996    0.0000 C   0  0
   -5.5600    5.1600    0.0000 C   0  0
   -5.5300    3.5700    0.0000 C   0  0
   -6.6600    2.5200    0.0000 C   0  0
   -6.6800    0.9600    0.0000 C   0  0
   -5.3600    0.2000    0.0000 C   0  0
   -0.7700   -1.2500    0.0000 C   0  0  1  0  0  0
   -0.7368    0.2496    0.0000 C   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  6  5  1  6
  6  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  1
 14 15  1  0
 15 16  1  6
 15 17  1  0
 13 18  1  0
 18  8  1  0
  8 19  1  0
 19 20  1  1
 19 21  1  0
 21 22  1  6
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  6
 27 29  1  0
 29 30  1  1
 29 31  1  0
 31 32  1  1
 31 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  6
 35 37  1  0
 37 38  1  6
 37 39  1  0
 39 40  1  6
 39 41  1  0
 41 42  2  0
 41 43  1  0
 43 44  1  1
 43 45  1  0
 43 46  1  0
 46 47  1  6
 46 48  1  0
 48 49  1  6
 48 50  1  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 54  3  1  0
 21 55  1  0
 55  6  1  0
 55 56  1  6
M  END
> <name>
Broad_2021

> <id>
33607

> <plate>
Plate_1

> <well>
K07

> <supplier_cmpd_name>
Oligomycin A

> <ctcr_id>
8295

> <supplier_cmpd_id>
Oligomycin A

> <smiles>
CC[C@H]\1CC[C@H]2O[C@@]3(CC[C@@H](C)[C@@H](C[C@H](C)O)O3)[C@H](C)[C@@H](OC(=O)\C=C\[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@](C)(O)[C@H](O)[C@@H](C)C/C=C/C=C1)[C@H]2C

> <pd_targets>
{KCNK9,SLCO1B1,SLCO1B3}

> <pathway_gtopdb>
{"Ion channel","Voltage-gated ion channel","Potassium channels","Two-pore domain potassium channel",Transporter,"Electrochemical transporter","SLC superfamily of solute carriers","SLC21/SLCO family of
 organic anion transporting polypeptides"}

> <pathway_chembl>
{"Ion channels","Voltage-gated ion channels","Potassium channels","Two P domain potassium channels",Transporters,"SLC superfamily of solute carriers","SLCO family of organic anion transporting polypep
tides"}

> <pathway_reactome>
{"Neuronal System","Potassium Channels","Tandem pore domain potassium channels","TWIK-releated acid-sensitive K+ channel (TASK)",Metabolism,"Metabolism of lipids","Metabolism of steroids","Bile acid a
nd bile salt metabolism","Recycling of bile acids and salts"}

> <broad_targets>
{ATP5A1}

> <broad_moa>
{"ATP synthase inhibitor","ATPase inhibitor"}

> <synonyms>
{"oligomycin A",Oligomycin,579-13-5,579135,C45H74O11,"EINECS 209-437-3","EINECS 2094373",1404-19-9,1404199,"BRN 5702132",RP-32705,RP32705,"OLIGOMYCIN (A shown)","Oligomycin A/","Oligomycin complex",BS
PBio_000988,BSPBio000988,BSPBio-000988,"BSPBio 000988",BSPBio_003314,BSPBio003314,BSPBio-003314,"BSPBio 003314",SCHEMBL306706,SPECTRUM1601001,CHEMBL3039432,BCBcMAP01_0000,BCBcMAP010000,BCBcMAP01-0000,
"BCBcMAP01 0000",75351}

> <pdid>
PD003591

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5281899}

$$$$
Broad_2021
  SciTegic11012413022D

 40 44  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -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
   -3.1905    2.6376    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    4.6865    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 N   0  0
   -7.9792    8.9707    0.0000 C   0  0
   -5.5066    9.7698    0.0000 C   0  0
   -4.0399    9.4552    0.0000 O   0  0
   -5.9672   11.1982    0.0000 C   0  0
   -4.9612   12.3120    0.0000 N   0  0
   -5.4195   13.7403    0.0000 C   0  0
   -4.4117   14.8513    0.0000 C   0  0
   -2.9457   14.5342    0.0000 N   0  0
   -1.9379   15.6453    0.0000 C   0  0
   -2.4873   13.1059    0.0000 C   0  0
   -3.4950   11.9948    0.0000 C   0  0
   -2.1880    3.7544    0.0000 C   0  0
   -2.6517    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
   -0.7206    3.4429    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13  8  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 33 27  1  0
 14 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
  9 40  2  0
 40  5  1  0
M  END
> <name>
Broad_2021

> <id>
33608

> <plate>
Plate_1

> <well>
L07

> <supplier_cmpd_name>
Nintedanib

> <ctcr_id>
7648

> <supplier_cmpd_id>
Nintedanib

> <smiles>
COC(=O)c1ccc2c(NC(=O)\C2=C(Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)\c5ccccc5)c1

> <pd_targets>
{PDGFRB,FGFR4,KDR,FGFR1,FLT4,FGFR3,PDGFRA,FLT1,FGFR2,FLT3,STK16,ACVRL1,BTK,MYO3B,RIPK4,GRK7,MAP3K7,SIK1,OXSR1,ABL1,FER,PRKG1,MAP3K12,TBK1,DAPK2,RPS6KA6,CILK1,SIK2,CDK7,CSNK2A1,CSNK2A2,HCK,MAP3K3,PAK2,
TYK2,CAMK1,EPHA2,EPHB6,STK35,CDK4,HIPK4,STK33,EPHA6,CDK14,CAMK1G,PRKAA1,PKNB,ERN1,KIT,CDK2,IKBKE,ABL2,MET,RET,CAMKK2,JAK1,BMPR2,CLK1,PRKD2,AXL,INSRR,EPHA1,HIPK3,STK3,TYRO3,MAP3K2,SGK3,SRPK3,BMP2K,CAMK
2A,PLK4,ACVR1B,MAP4K2,HIPK2,SLK,MAP4K4,DDR2,SRC,RPS6KA2,PAK4,SBK1,PIP5K1A,MAP2K2,NUAK2,MARK4,RIOK1,MYLK2,PTK2B,ZAP70,SBK3,MERTK,SRPK2,RPS6KA4,EIF2AK4,DAPK3,CAMK1D,TSSK1B,CAMKK1,DCLK3,LRRK2,LTK,PKN1,FR
K,GSK3B,MAP3K11,CLK2,RPS6KA3,DDR1,RIPK1,GRK4,IGF1R,MAST1,IRAK1,EPHA3,IRAK4,MAP4K3,INSR,PIP4K2B,GSC2,BLK,CAMK4,MARK3,RPS6KB1,ULK1,DCLK1,PRKCQ,PAK5,PRKD3,PKN2,MAP4K1,SRPK1,FGR,NTRK2,GSK3A,ALK,ULK2,YES1,
MUSK,MAP4K5,IRAK3,LATS2,NUAK1,CHEK1,NTRK1,PRKD1,MAP3K19,STK11,RPS6KA5,ITK,STK26,JAK3,HIPK1,ULK3,MAP3K15,CLK4,MAP3K9,MYLK,MYLK3,AURKC,AURKB,TNK2,CDPK1,MAPK8,MAP2K3,TXK,CDKL2,DYRK1B,MAP3K10,MAPK7,PAK3,N
TRK3,TIE1,CDK16,STK10,MARK2,MARK1,MAPK10,MAPK14,LATS1,MAP2K1,ROS1,MAP2K4,STK24,RIOK3,STK17A,MAP2K5,WEE1,FES,ACVR1,LCK,GRK1,PDPK1,EPHB1,CDK17,MYLK4,MINK1,FYN,JAK2,CSF1R,PHKG1,STK39,TNIK,MELK,CHUK,PRKAA
2,PRPF4B,TEK,CDK18,EPHB4,TGFBR1,MAP3K13,AAK1,RPS6KA1,LYN,PTK2,STK17B,CSNK1D,TNK1,PHKG2,CSNK1E,TTK,KCNH2,STK4,ABCB1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Ion channel",Transporter,Kinase,Transferase,"Voltage-gated ion channel","Primary active transporter","Protein Kinase","Potassium channels","ATP-binding cassette","TK pr
otein kinase group","Other protein kinase group","TKL protein kinase group","STE protein kinase group","AGC protein kinase group","CAMK protein kinase group","CMGC protein kinase group","Atypical prot
ein kinase group","CK1 protein kinase group","Voltage-gated potassium channel","ABCB subfamily","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase VE
GFR family","Other protein kinase NAK family","TKL protein kinase STKR family","Tyrosine protein kinase Tec family","STE protein kinase STE20 family","TKL protein kinase RIPK family","AGC protein kina
se GRK family","TKL protein kinase MLK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Fer family","AGC protein kinase PKG family","Other prote
in kinase IKK family","CAMK protein kinase DAPK family","AGC protein kinase RSK family","CMGC protein kinase RCK family","CMGC protein kinase CDK family","Other protein kinase CK2 family","Tyrosine pr
otein kinase Src family","STE protein kinase STE11 family","Tyrosine protein kinase JakA family","Tyrosine protein kinase Eph family","Other protein kinase NKF4 family","CMGC protein kinase DYRK famil
y","CAMK protein kinase unique family","Tyrosine protein kinase Met family","Tyrosine protein kinase Ret family","Other protein kinase CAMKK family","CMGC protein kinase CLK family","CAMK protein kina
se PKD family","Tyrosine protein kinase Axl family","Tyrosine protein kinase InsR family","AGC protein kinase SGK family","CMGC protein kinase SRPK family","CAMK protein kinase CAMK2 family","Other pr
otein kinase PLK family","Tyrosine protein kinase DDR family","Other protein kinase NKF1 family","STE protein kinase STE7 family","Atypical protein kinase RIO family","CAMK protein kinase MLCK family"
,"Tyrosine protein kinase Fak family","Tyrosine protein kinase Syk family","Other protein kinase PEK family","CAMK protein kinase TSSK family","CAMK protein kinase DCAMK1 family","TKL protein kinase L
RRK family","Tyrosine protein kinase Alk family","AGC protein kinase PKN family","CMGC protein kinase GSK family","AGC protein kinase MAST family","TKL protein kinase IRAK family","Other protein kinas
e ULK family","AGC protein kinase PKC family","Tyrosine protein kinase Trk family","Tyrosine protein kinase Musk family","AGC protein kinase NDR family","Other protein kinase AUR family","Tyrosine pro
tein kinase Ack family","CMGC protein kinase MAPK family","CMGC protein kinase CDKL family","Tyrosine protein kinase Tie family","Tyrosine protein kinase Sev family","Other protein kinase WEE family",
"AGC protein kinase PDK1 subfamily","CAMK protein kinase PHk family","CK1 protein kinase CK1 family","Other protein kinase TTK family","TKL protein kinase STKR Type 1 subfamily","STE protein kinase Ni
naC subfamily","AGC protein kinase GRK subfamily","TKL protein kinase TAK1 subfamily","CAMK protein kinase QIK subfamily","STE protein kinase FRAY subfamily","AGC protein kinase RSK subfamily","CMGC p
rotein kinase MAK","CMGC protein kinase CDK7 subfamily","STE protein kinase MEKK2","STE protein kinase PAKA subfamily","CMGC protein kinase HIPK subfamily","CMGC protein kinase PFTAIRE","CAMK protein 
kinase AMPK subfamily","CMGC protein kinase CDC2 subfamily","Other protein kinase Meta subfamily","TKL protein kinase STKR Type 2 subfamily","STE protein kinase MST subfamily","STE protein kinase KHS 
subfamily","STE protein kinase SLK subfamily","STE protein kinase MSN subfamily","STE protein kinase PAKB subfamily","CAMK protein kinase NuaK subfamily","CAMK protein kinase MARK subfamily","Atypical
 protein kinase RIO1 subfamily","AGC protein kinase MSK subfamily","Other protein kinase GCN2 subfamily","TKL protein kinase MLK subfamily","AGC protein kinase p70 subfamily","AGC protein kinase PKC d
elta subfamily","CAMK protein kinase CHK1 subfamily","CAMK protein kinase LKB subfamily","STE protein kinase YSK subfamily","STE protein kinase ASK","CMGC protein kinase JNK subfamily","CMGC protein k
inase Dyrk1 subfamily","CMGC protein kinase ERK5","CMGC protein kinase TAIRE subfamily","CMGC protein kinase p38 subfamily","Atypical protein kinase RIO3 subfamily","TKL protein kinase STKR1","CMGC pr
otein kinase PCTAIRE","Tyrosine protein kinase SrcA","CAMK protein kinase MELK subfamily","TKL protein kinase LZK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","ATP-binding cassette transporter family","Receptor kinases","STE: Homologs of 
yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid 
modifying kinases",Atypical,"CK1: Casein kinase 1","Potassium channels","ABCB subfamily","TK: Tyrosine kinase","Other protein kinases","TKL: Tyrosine kinase-like","STE20 family","G protein-coupled rec
eptor kinases (GRKs)","CAMK-like (CAMKL) family","Protein kinase G (PKG) family","Death-associated kinase (DAPK) family","RSK family","RCK family","Cyclin-dependent kinase (CDK) family","STE11 family"
,"CAMK1 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CAMK-unique family","CLK family","Protein kinase D (PKD) family","SGK family","SRPK family","CAMK2 famil
y","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","STE7 family","RIO family","Myosin Light Chain Kinase (MLCK) family","Testis specific kinase (TSSK) family","DCAMKL family"
,"Protein kinase N (PKN) family","Glycogen synthase kinase (GSK) family","MAST family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Protein kinase C (PKC) family","NDR f
amily","Mitogen-activated protein kinases (MAP kinases)","Cyclin-dependent kinase-like (CDKL) family","PDK1 family","Phosphorylase kinase (PHK) family","Casein kinase 1 (CK1) family","Voltage-gated po
tassium channels","Receptor tyrosine kinases (RTKs)","NAK family","Receptor serine/threonine kinase (RSTK) family","Non-receptor tyrosine kinases (nRTKs)","NinaC subfamily","Receptor interacting prote
in kinase (RIPK) family","Opsin/rhodopsin kinases","Mixed Lineage Kinase (MLK) family","QIK subfamily","FRAY subfamily","IKK family","RSK subfamily","CDK7 subfamily","Casein kinase 2 (CK2) family","PA
KA subfamily","NKF4 family","CDK4 subfamily","HIPK subfamily","TAIRE subfamily","AMPK subfamily","IRE family","CDK1 subfamily","CAMKK family","MST subfamily","Numb-associated kinase (NAK) family","Pol
o-like kinase (PLK) family","KHS subfamily","SLK subfamily","MSN subfamily","PAKB subfamily","NKF1 family","NuaK subfamily","MARK subfamily","RIO1 subfamily","MSK subfamily","PEK family","Leucine-rich
 repeat kinase (LRRK) family","GSK subfamily","GRK4 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","p70 subfamily","Unc-51-like kinase (ULK) family","Delta subfamily","CHK1 subfam
ily","STE20 subfamily","LKB subfamily","YSK subfamily","Aurora kinase (Aur) family","JNK subfamily","Dyrk1 subfamily","ERK subfamily","p38 subfamily","RIO3 subfamily","WEE family","MELK subfamily","PR
P4 subfamily","TTK family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor)
 receptor family","Type I receptor serine/threonine kinases","Tec family","TAK1 subfamily","Abl family","Fer family","LZK subfamily","Src family","Janus kinase (JakA) family","Type XIII RTKs: Ephrin r
eceptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XIV RTKs: RET","Meta subfamily","Type II receptor serine/threonine kinases","Type XI RTKs: TAM (TYRO3-","AXL- and ME
R-TK) receptor family","Type II RTKs: Insulin receptor family","Type XVI RTKs: DDR (collagen receptor) family","Fak family","Syk family","GCN2 subfamily","Type XIX RTKs: Leukocyte tyrosine kinase (LTK
) receptor family","MLK subfamily","Type VII RTKs: Neurotrophin receptor/Trk family","Type IX RTKs: MuSK","Ack family","Type XII RTKs: TIE family of angiopoietin receptors","Type XVII RTKs: ROS recept
ors"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Immune System","Circadian Clock",Hemostasis,"Programmed Cell Death","Neuronal System","Gene expression (Transcription)","Developmental Biology","Cell Cycle","Metabolism
 of proteins",Metabolism,"Transport of small molecules","Cellular responses to external stimuli","Extracellular matrix organization","Organelle biogenesis and maintenance","Metabolism of RNA",Autophag
y,"DNA Repair","Vesicle-mediated transport","Muscle contraction","Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth fact
or receptors and second messengers","Signaling by TGFB family members","Infectious disease","Signaling by GPCR","Innate Immune System","Platelet homeostasis",Apoptosis,"Transmission across Chemical Sy
napses","RNA Polymerase II Transcription","Cytokine Signaling in Immune system","Nervous system development",Mitotic,"Unfolded Protein Response (UPR)","Metabolism of lipids","Signaling by Hippo","Ion 
channel transport","Signaling by NODAL","Cellular responses to stress","Non-integrin membrane-ECM interactions","Cilium Assembly","rRNA processing","Adaptive Immune System","Cell surface interactions 
at the vascular wall","Signaling by Non-Receptor Tyrosine Kinases","Signaling by Rho GTPases","Disorders of Developmental Biology","MTOR signalling",Macroautophagy,"ECM proteoglycans","DNA Double-Stra
nd Break Repair","Signaling by Hedgehog","Cell Cycle Checkpoints","Metabolism of carbohydrates","MAPK family signaling cascades","Membrane Trafficking","Cardiac conduction","Abacavir transport and met
abolism","PIP3 activates AKT signaling","Signaling by FGFR","Signaling by VEGF","Signaling by FGFR in disease","Signaling by PDGFR in disease","Signaling by Insulin receptor","Signaling by BMP","Leish
mania infection","GPCR downstream signalling","Toll-like Receptor Cascades","Signaling by SCF-KIT","Nitric oxide stimulates guanylate cyclase","Caspase activation via extrinsic apoptotic signalling pa
thway","Neurotransmitter receptors and postsynaptic signal transmission","HIV Infection","Generic Transcription Pathway","Signaling by Interleukins","Interferon Signaling","Axon guidance","Mitotic G1 
phase and G1/S transition","IRE1alpha activates chaperones","Signaling by KIT in disease","Sphingolipid metabolism","Stimuli-sensing channels","Mitotic G2-G2/M phases","Regulation of signaling by NODA
L","Cellular Senescence","Signaling by NTRKs","Phospholipid metabolism","Anchoring of the basal body to the plasma membrane","rRNA processing in the nucleus and cytosol","TCR signaling","Response of E
IF2AK4 (GCN2) to amino acid deficiency","Signaling by PTK6","RHO GTPase Effectors","SARS-CoV Infections","Oncogenic MAPK signaling","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)",
"Disorders of Nervous System Development","mTORC1-mediated signalling","Selective autophagy","Homology Directed Repair","Apoptotic execution phase","Hedgehog 'on' state","M Phase","Fc epsilon receptor
 (FCERI) signaling","Neutrophil degranulation","G2/M Checkpoints","Glycogen metabolism","MAPK1/MAPK3 signaling","Signaling by TGF-beta Receptor Complex in Cancer","Clathrin-mediated endocytosis","Phas
e 3 - rapid repolarisation","Abacavir transmembrane transport","Negative regulation of the PI3K/AKT network","Signaling by FGFR4","VEGFA-VEGFR2 Pathway","Signaling by FGFR1 in disease","VEGF ligand-re
ceptor interactions","Signaling by FGFR3 in disease","Drug resistance of PDGFR mutants","Signaling by FGFR2 in disease","Insulin receptor signalling cascade","Parasite infection","G alpha (i) signalli
ng events","Toll Like Receptor 4 (TLR4) Cascade","cGMP effects","Caspase activation via Dependence Receptors in the absence of ligand","Activation of NMDA receptors and postsynaptic events","HIV Life 
Cycle","Transcriptional Regulation by TP53","Host Interactions of HIV factors","Interleukin-1 family signaling","Interferon alpha/beta signaling","EPH-Ephrin signaling","G1 Phase","Drug resistance of 
KIT mutants","Signaling by ROBO receptors","Semaphorin interactions","RET signaling","Antiviral mechanism by IFN-stimulated genes","Sphingolipid de novo biosynthesis","G2/M Transition","Oxidative Stre
ss Induced Senescence","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","PI Metabolism","Major pathway of rRNA processing in the nucleolus and cytosol","Interleukin-2 family signaling
","Generation of second messenger molecules","L1CAM interactions","PTK6 promotes HIF1A stabilization","RHO GTPases activate PKNs","PTEN Regulation","SARS-CoV-1 Infection","Signaling by RAS mutants","I
GF1R signaling cascade","Toll Like Receptor 2 (TLR2) Cascade","Transcriptional regulation by RUNX1","Pervasive developmental disorders",Mitophagy,"Leishmania parasite growth and survival","HDR through
 Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Apoptotic cleavage of cellular proteins","RHO GTPases activate PAKs","Mitotic Metaphase and Anaphase","FCERI mediated Ca+2 mobilizati
on","Signaling by NTRK3 (TRKC)","G2/M DNA damage checkpoint","Transcriptional Regulation by VENTX","Glycogen breakdown (glycogenolysis)","RAF/MAP kinase cascade","Loss of Function of SMAD2/3 in Cancer
","Cargo recognition for clathrin-mediated endocytosis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Downstream signaling of activated FGFR4","VEGFR2 mediated cell proliferation","FGFR1 mutant re
ceptor activation","VEGF binds to VEGFR leading to receptor dimerization","Signaling by FGFR3 point mutants in cancer","Imatinib-resistant PDGFR mutants","FGFR2 mutant receptor activation","IRS-mediat
ed signalling","Leishmania phagocytosis","Visual phototransduction","MyD88-independent TLR4 cascade","Post NMDA receptor activation events","Late Phase of HIV Life Cycle","Regulation of TP53 Activity"
,"The role of Nef in HIV-1 replication and disease pathogenesis","Interleukin-1 signaling","Regulation of IFNA signaling","EPHA-mediated growth cone collapse","EPHB-mediated forward signaling","Cyclin
 D associated events in G1","Dasatinib-resistant KIT mutants","Role of ABL in ROBO-SLIT signaling","Sema4D in semaphorin signaling","ISG15 antiviral mechanism","Centrosome maturation","Signalling to E
RKs","MyD88 cascade initiated on plasma membrane","Activation of RAC1","Synthesis of PIPs at the plasma membrane","Interleukin-2 signaling","Recycling pathway of L1","Activated PKN1 stimulates transcr
iption of AR (androgen receptor) regulated genes KLK2 and KLK3","Regulation of PTEN stability and activity","SARS-CoV-1 Genome Replication and Transcription","Signaling downstream of RAS mutants","IRS
-related events triggered by IGF1R","Toll Like Receptor TLR6:TLR2 Cascade","RUNX1 regulates transcription of genes involved in BCR signaling","Loss of function of MECP2 in Rett syndrome","Receptor Med
iated Mitophagy","Anti-inflammatory response favouring Leishmania parasite infection","Activation of TRKA receptors","HDR through Homologous Recombination (HRR)","Interleukin-15 signaling","Mitotic An
aphase","Ephrin signaling","Activated NTRK3 signals through PI3K","Signalling to ERK5","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","CRMPs in Sema3A signaling","SMAD2/3 Phosphoryla
tion Motif Mutants in Cancer","FRS-mediated FGFR4 signaling","Signaling by activated point mutants of FGFR1","FGFR3 mutant receptor activation","Activated point mutants of FGFR2","PI3K Cascade","FCGR3
A-mediated phagocytosis","The phototransduction cascade","TRIF(TICAM1)-mediated TLR4 signaling","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Transcription of the
 HIV genome","Regulation of TP53 Activity through Phosphorylation","Nef and signal transduction","Activation of RAC1 downstream of NMDARs","Regulation of TP53 Expression and Degradation","Sema4D media
ted inhibition of cell attachment and migration","Activation of AMPK downstream of NMDARs","Loss of proteins required for interphase microtubule organization from the centrosome","Signalling to RAS","
MAP kinase activation","Prolonged ERK activation events","Replication of the SARS-CoV-1 genome","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Regulation of TP53 Activity through Acetylation
","Loss of phosphorylation of MECP2 at T308","FCGR3A-mediated IL10 synthesis","NGF-independant TRKA activation","Homologous DNA Pairing and Strand Exchange","Separation of Sister Chromatids","Nef-medi
ates down modulation of cell surface receptors by recruiting them to clathrin adapters","Signaling by activated point mutants of FGFR3",Inactivation,"recovery and regulation of the phototransduction c
ascade","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","RSK activation","HIV Transcription Elongation","Regulation of TP53 Degrad
ation","Ras activation upon Ca2+ influx through NMDA receptor","Loss of Nlp from mitotic centrosomes","p38MAPK events","MAPK targets/ Nuclear events mediated by MAP kinases","Frs2-mediated activation"
,"IKK complex recruitment mediated by RIP1","activated TAK1 mediates p38 MAPK activation","PI5P Regulates TP53 Acetylation","Presynaptic phase of homologous DNA pairing and strand exchange","ARMS-medi
ated activation","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Nef Mediated CD4 Down-regulation","Tat-mediated elongation of the HIV-1 transcript","CREB phosp
horylation","Activation of the AP-1 family of transcription factors","ERK/MAPK targets","Formation of HIV-1 elongation complex containing HIV-1 Tat","ERKs are inactivated"}

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

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

> <synonyms>
{"Nintedanib (BIBF 1120)",T1777,S1010,Nintedanib,nintedanib,BIBF1120(Vargatef)}

> <pdid>
PD003643

> <targets>
{VEGFR,FGFR,PDGFR}

> <classes>
{}

> <pubchem_cids>
{9809715}

$$$$
Broad_2021
  SciTegic11012413022D

 37 41  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 N   0  0
    1.2960    5.2539    0.0000 C   0  0
    2.5925    6.0085    0.0000 C   0  0
    2.5873    7.5085    0.0000 C   0  0
    1.2856    8.2540    0.0000 N   0  0
   -0.0108    7.4995    0.0000 C   0  0
   -0.0056    5.9995    0.0000 C   0  0
    1.2773    9.7548    0.0000 C   0  0
   -0.0254   10.4985    0.0000 C   0  0
    2.5724   10.5116    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.8244   -8.3594    0.0000 C   0  0
   -3.3609   -9.7860    0.0000 C   0  0
   -1.8609   -9.7860    0.0000 C   0  0
   -1.3973   -8.3594    0.0000 C   0  0
   -3.8978    3.7504    0.0000 C   0  0
   -3.9003    5.2504    0.0000 C   0  0
   -5.2005    5.9983    0.0000 C   0  0
   -6.4984    5.2463    0.0000 C   0  0
   -6.4960    3.7463    0.0000 C   0  0
   -5.1957    2.9983    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 11 14  1  0
 14 15  1  0
 14 16  1  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20  5  1  0
 20 21  1  0
 21 22  2  0
 22  3  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 27  1  0
 18 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 32  1  0
M  END
> <name>
Broad_2021

> <id>
33609

> <plate>
Plate_1

> <well>
M07

> <supplier_cmpd_name>
UNC 0638

> <ctcr_id>
5340

> <supplier_cmpd_id>
UNC 0638

> <smiles>
COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN4CCCC4)C5CCCCC5

> <pd_targets>
{EHMT1,EHMT2,DNMT1,SPIN1}

> <pathway_gtopdb>
{"Epigenetic regulator","Unclassified protein",Writer,"Protein methyltransferase","DNA methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.- Methyltransferases","2.1.1.43 Histone methyltransferases (HMTs)"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins","RNA Polymerase II Transcription","Post-translational protein modification","Generic Transcription Pathway",SUMOylation,"Transcriptional Reg
ulation by TP53","SUMO E3 ligases SUMOylate target proteins","Regulation of TP53 Activity","SUMOylation of DNA methylation proteins","Regulation of TP53 Activity through Methylation"}

> <broad_targets>
{EHMT1,EHMT2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{UNC0638,1255580-76-7,1255580767,UNC-0638,"UNC 0638",UNII-26A103L2FO,UNII26A103L2FO,1255517-77-1,1255517771,CHEMBL1231795,26A103L2FO,cc-643,cc643,MLS006010242,GTPL7015,SCHEMBL14844528,CHEBI:95074,AOB1
616,DTXSID30154787,C30H47N5O2,HMS3426M09,HMS3743O07,BCP06142,EX-A2205,EXA2205,4142AH,BDBM50353128,N,T3257,4343,S8071}

> <pdid>
PD000003

> <targets>
{Histone Methyltransferase,Autophagy,Influenza Virus}

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

> <pubchem_cids>
{46224516}

$$$$
Broad_2021
  SciTegic11012413022D

 28 30  0  0  0  0            999 V2000
    5.1965   -1.5117    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    1.2941   -3.7520    0.0000 C   0  0
    1.2894   -5.2521    0.0000 C   0  0
   -0.0120   -5.9981    0.0000 C   0  0
   -1.3087   -5.2440    0.0000 C   0  0
   -2.6123   -5.9877    0.0000 O   0  0
   -3.9086   -5.2314    0.0000 C   0  0
   -5.2123   -5.9751    0.0000 C   0  0
   -6.5086   -5.2188    0.0000 N   0  0
   -7.8115   -5.9621    0.0000 C   0  0
   -6.5013   -3.7189    0.0000 C   0  0
   -1.3040   -3.7440    0.0000 C   0  0
   -0.0027   -2.9981    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  3 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 10 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 20 27  1  0
 27 28  2  0
 28 17  1  0
M  END
> <name>
Broad_2021

> <id>
33610

> <plate>
Plate_1

> <well>
N07

> <supplier_cmpd_name>
Tamoxifen

> <ctcr_id>
8278

> <supplier_cmpd_id>
Tamoxifen

> <smiles>
CC/C(c1ccccc1)=C(c2ccccc2)/c3ccc(OCCN(C)C)cc3

> <pd_targets>
{KDM4E,RORC,TP53,CYP3A4,ESR2,NFKB1,HIF1A,CYP2C19,CYP2D6,GMNN,CYP1A2,TSHR,ALDH1A1,LEF,BLM,ESR1,HTT,THPO,NFO,PMP22,MAPK1,LMNA,HSD17B10,FFP,KMT2A,MEN1,L3MBTL1,CYP2C9,SKA,ADRA1A,ABCB1,CYP2B6,SIGMAR1,REP,G
PER1,EBP,AR,LUXR,MAPT,FTL,BDKRB2,EBPL,DHCR7,AMPC,KCNH2,PGR,ESRRG,PRKCA,PRKCB,PRKCD,PRKCE,PRKCG,PRKCH,PRKCQ,PRKCZ,PRKCI,PRKD1,PRKD3,ERG2,PPP3CA,AOX1,CYP2C8,TBXAS1,HTR1A,MTOR,ADORA1,ADORA3,MC3R,MC5R,CHR
M3,OPRK1,HTR6,ABCB11,SLC6A3,CHRM1,FYN,ERBB2,LCK,ADRA1D,ADRB3,PTGS1,CHRM2,CHRM5,OPRM1,SLC6A4,TACR2,ADORA2A,DRD3,DRD4,CHRM4,OPRD1,HTR2C,TACR1,ADRA2B,HTR2A,ADRA2A,ADRB1,HRH2,HTR2B,SLC6A2,MC4R,ESRRA,DRD2,
EGFR,SHBG,MAPK8}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor",Enzyme,"Other cytosolic protein","Unclassified protein","Membrane receptor","Other nuclear protein",Transporter,"Ion channel","Secreted protein",Eraser,"
Nuclear receptor","Cytochrome P450","Family A G protein-coupled receptor",Oxidoreductase,Protease,Hydrolase,Kinase,Transferase,Reader,"Primary active transporter",Isomerase,"Voltage-gated ion channel"
,Phosphatase,"Electrochemical transporter","Lysine demethylase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Nuclear hormone receptor subfamily 3","Cytochrome P450 family 2","Cyt
ochrome P450 family 1","Peptide receptor (family A GPCR)","Metallo protease","Protein Kinase","Cysteine protease",Bromodomain,"Methyl-lysine/arginine binding protein","Small molecule receptor (family 
A GPCR)","ATP-binding cassette","Potassium channels","Protein Phosphatase","Cytochrome P450 family 5","SLC superfamily of solute carriers","Jumonji domain-containing","Nuclear hormone receptor subfami
ly 1 group F","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 3 group A","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Glycohormone receptor","Me
tallo protease MAE clan","CMGC protein kinase group","Cysteine protease CA clan","MBT domain","Monoamine receptor","ABCB subfamily","Cytochrome P450 family 2B","Lipid-like ligand receptor (family A GP
CR)","Nuclear hormone receptor subfamily 3 group C","Short peptide receptor (family A GPCR)","Voltage-gated potassium channel","Nuclear hormone receptor subfamily 3 group B","AGC protein kinase group"
,"Serine/threonine protein phosphatase","Cytochrome P450 family 5A","Atypical protein kinase group","Nucleotide-like receptor (family A GPCR)","SLC06 neurotransmitter transporter family","TK protein k
inase group","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 3 group A member 2","Cytochrome P450 2C19","Cytochrome P450 2D6","Cytochr
ome P450 1A1","Metallo protease M34 family","Nuclear hormone receptor subfamily 3 group A member 1","CMGC protein kinase MAPK family","Cysteine protease C1A family","Cytochrome P450 2C9","Adrenergic r
eceptor","Cytochrome P450 2B6","Steroid-like ligand receptor","Nuclear hormone receptor subfamily 3 group C member 4","Bradykinin receptor","Nuclear hormone receptor subfamily 3 group C member 3","Nuc
lear hormone receptor subfamily 3 group B member 3","AGC protein kinase PKC family","Cytochrome P450 2C8","Cytochrome P450 5A1","Serotonin receptor","Atypical protein kinase PIKK family","Adenosine re
ceptor","Melanocortin receptor","Acetylcholine receptor","Opioid receptor","Tyrosine protein kinase Src family","Tyrosine protein kinase EGFR family","Neurokinin receptor","Dopamine receptor","Histami
ne receptor","Nuclear hormone receptor subfamily 3 group B member 1","CMGC protein kinase ERK1","AGC protein kinase PKC alpha subfamily","Atypical protein kinase FRAP subfamily","Tyrosine protein kina
se SrcA","CMGC protein kinase JNK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Other protein targets","Ion channels","Chromatin modifying enzymes","Nuclear hormone receptors","Cytochrome P450","G protein-coupled receptors","Kinases (EC 2.7.x.x)",
"ATP-binding cassette transporter family","Sigma receptors","Anti-infective targets","Voltage-gated ion channels","SLC superfamily of solute carriers","Catalytic receptors","Eicosanoid turnover","1.14
.11.- Histone demethylases","1F. Retinoic acid-related orphans","CYP3 family","Steroid hormone receptors","CYP2 family: drug metabolising subset","CYP1 family","Glycoprotein hormone receptors","CMGC: 
Containing CDK",MAPK,GSK3,"CLK families",Adrenoceptors,"ABCB subfamily","Viral protein targets","G protein-coupled estrogen receptor","Bradykinin receptors","Potassium channels","3B. Estrogen-related 
receptors",CYP5,"CYP7 and CYP8 families","5-Hydroxytryptamine receptors",Atypical,"Adenosine receptors","Melanocortin receptors","Acetylcholine receptors (muscarinic)","Opioid receptors","SLC6 neurotr
ansmitter transporter family","Receptor kinases",Cyclooxygenase,"Tachykinin receptors","Dopamine receptors","Histamine receptors","3A. Estrogen receptors","Mitogen-activated protein kinases (MAP kinas
es)","Coronavirus (CoV) proteins","3C. 3-Ketosteroid receptors","Voltage-gated potassium channels","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Monoamine transporter subfamily","TK
: Tyrosine kinase","ERK subfamily","FRAP subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","JNK subfamily","Src family","Type I RTKs: ErbB (epidermal growth factor)
 receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle",Metabolism,"Signal Transduction","Immune System","Cellular responses to external stimuli",Disease,"DNA Repair",Hemostasis,"Developmental Biology","Neuro
nal System","Vesicle-mediated transport","Muscle contraction","Metabolism of proteins","RNA Polymerase II Transcription","Cell Cycle Checkpoints","Metabolism of lipids","Intracellular signaling by sec
ond messengers","Cytokine Signaling in Immune system","Cellular responses to stress","Biological oxidations",Mitotic,"Infectious disease","DNA Double-Strand Break Repair","Platelet activation","signal
ing and aggregation","Nervous system development","Innate Immune System","Metabolism of amino acids and derivatives","Signaling by GPCR","Abacavir transport and metabolism","Transmission across Chemic
al Synapses","Membrane Trafficking","Cardiac conduction","Metabolism of vitamins and cofactors","Disorders of transmembrane transporters","Post-translational protein modification","Generic Transcripti
on Pathway","G1/S DNA Damage Checkpoints","Biosynthesis of specialized proresolving mediators (SPMs)","PIP3 activates AKT signaling","Signaling by Interleukins","Cellular response to hypoxia","Phase I
 - Functionalization of compounds","Mitotic G1 phase and G1/S transition","Leishmania infection","Uptake and actions of bacterial toxins","Homology Directed Repair","Platelet Aggregation (Plug Formati
on)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Toll-like Receptor Cascades","M Phase","Branched-chain amino acid catabolism","GPCR ligand binding","Abacavir transmembrane trans
port","SARS-CoV Infections","Metabolism of steroids","Neurotransmitter receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Budding","Phase 3 - rapid repolarisation","GPCR down
stream signalling","Metabolism of water-soluble vitamins and cofactors","SLC transporter disorders","HIV Infection","Axon guidance","Fatty acid metabolism","Neurotransmitter clearance",SUMOylation,"Tr
anscriptional regulation by RUNX3","p53-Dependent G1/S DNA damage checkpoint","Biosynthesis of DHA-derived SPMs","Negative regulation of the PI3K/AKT network","Interleukin-1 family signaling","Oxygen-
dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Cytochrome P450 - arranged by substrate type","G1/S Transition","Leishmania parasite growth and survival","Ethanol oxidation","Uptak
e and function of anthrax toxins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional regulation by RUNX1","Transcriptional Regulation by MECP2","Toll Like R
eceptor 5 (TLR5) Cascade","Mitotic Metaphase and Anaphase","Transcriptional Regulation by TP53","Class A/1 (Rhodopsin-like receptors)","Potential therapeutics for SARS","SARS-CoV-1 Infection","Cholest
erol biosynthesis","Transcriptional regulation by RUNX2","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis","Nuclear Receptor transcription pathway","G alpha 
(i) signalling events","Vitamins B6 activation to pyridoxal phosphate","Bile acid and bile salt metabolism","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Host Interactions of HIV 
factors","Semaphorin interactions","Arachidonic acid metabolism","Serotonin clearance from the synaptic cleft","SUMO E3 ligases SUMOylate target proteins","Defective SLC6A2 causes orthostatic intolera
nce (OI)","G alpha (q) signalling events","RUNX3 Regulates Immune Response and Cell Migration","p53-Dependent G1 DNA Damage Response","Biosynthesis of maresins",PI5P,"PP2A and IER3 Regulate PI3K/AKT S
ignaling","Interleukin-1 signaling",Xenobiotics,"Activation of the pre-replicative complex","Anti-inflammatory response favouring Leishmania parasite infection","HDR through Homologous Recombination (
HRR)","RUNX1 regulates estrogen receptor mediated transcription","Regulation of MECP2 expression and activity","MyD88 cascade initiated on plasma membrane","Mitotic Anaphase","Regulation of TP53 Activ
ity","Amine ligand-binding receptors","SARS-CoV-1 Genome Replication and Transcription","Peptide ligand-binding receptors","Cholesterol biosynthesis via desmosterol","RUNX2 regulates bone development"
,"Post NMDA receptor activation events","Opioid Signalling",Eicosanoids,"Nucleotide-like (purinergic) receptors","MECP2 regulates neuronal receptors and channels","Synthesis of bile acids and bile sal
ts","The role of Nef in HIV-1 replication and disease pathogenesis","Sema4D in semaphorin signaling","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","SUMOylation of intracellular receptors","
Regulation of RUNX2 expression and activity","Gastrin-CREB signalling pathway via PKC and MAPK","Stabilization of p53","Biosynthesis of maresin-like SPMs","MAP3K8 (TPL2)-dependent MAPK1/3 activation",
"CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated anti-inflammatory cytokines production","Homologous DNA Pairing and Strand Exchange","MAP kinase
 activation","Nuclear Envelope (NE) Reassembly","Regulation of TP53 Activity through Methylation",Adrenoceptors,"Replication of the SARS-CoV-1 genome","RUNX2 regulates osteoblast differentiation","Act
ivation of AMPK downstream of NMDARs","DARPP-32 events","Serotonin receptors","Regulation of TP53 Expression and Degradation","Adenosine P1 receptors","Muscarinic acetylcholine receptors","Synthesis o
f bile acids and bile salts via 7alpha-hydroxycholesterol","Nef and signal transduction","Sema4D induced cell migration and growth-cone collapse","Nef-mediates down modulation of cell surface receptor
s by recruiting them to clathrin adapters","G-protein activation","Tachykinin receptors bind tachykinins","Dopamine receptors","EGFR Transactivation by Gastrin","Autodegradation of the E3 ubiquitin li
gase COP1","Presynaptic phase of homologous DNA pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP5
3 Degradation","Nef Mediated CD4 Down-regulation","ERK/MAPK targets","Activation of the AP-1 family of transcription factors","ERKs are inactivated"}

> <broad_targets>
{EBP,ESR1,ESR2,GPER1,PRKCA,PRKCB,PRKCD,PRKCE,PRKCG,PRKCI,PRKCQ,PRKCZ}

> <broad_moa>
{"estrogen receptor antagonist","selective estrogen receptor modulator (SERM)"}

> <synonyms>
{tamoxifen,10540-29-1,10540291,trans-Tamoxifen,transTamoxifen,Crisafeno,Diemon,Tamoxifene,Soltamox,Tamoxifeno,Tamoxifenum,"Tamoxifene (INN-French)","Tamoxifene (INNFrench)","Tamoxifenum (INN-Latin)","
Tamoxifenum (INNLatin)","Tamoxifeno (INN-Spanish)","Tamoxifeno (INNSpanish)","1-p-beta-Dimethylaminoethoxyphenyl-trans-1,2-diphenylbut-1-ene","1pbetaDimethylaminoethoxyphenyltrans1,2diphenylbut1ene",1
-p,1p,T6906,T5648,"HY- 13757A",Tamoxifen,Tamoxifen}

> <pdid>
PD002854

> <targets>
{Apoptosis,Autophagy,Estrogen Receptor/ERR,HSP}

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

> <pubchem_cids>
{2733526}

$$$$
Broad_2021
  SciTegic11012413022D

 32 35  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
   -2.6005    1.4982    0.0000 C   0  0
   -1.3027    2.2087    0.0000 C   0  0
   -1.3052    3.7087    0.0000 C   0  0
   -2.6055    4.4565    0.0000 O   0  0
   -3.9032    3.7044    0.0000 C   0  0
   -3.9007    2.2044    0.0000 C   0  0
   -3.8991    0.7459    0.0000 C   0  0
   -5.2005    1.4935    0.0000 N   0  0
   -6.4991    0.7411    0.0000 C   0  0
   -6.4964   -0.7589    0.0000 O   0  0
   -7.8005    1.4887    0.0000 C   0  0
   -9.0995    0.7387    0.0000 C   0  0
  -10.3986    1.4885    0.0000 C   0  0
  -10.3988    2.9885    0.0000 C   0  0
  -11.6971    3.7415    0.0000 N   0  0
  -11.6951    5.2423    0.0000 C   0  0
  -10.3948    5.9902    0.0000 O   0  0
  -12.9934    5.9953    0.0000 C   0  0
  -13.1314    7.4761    0.0000 O   0  0
  -14.5987    7.7878    0.0000 C   0  0
  -15.3485    6.4887    0.0000 C   0  0
  -14.3447    5.3741    0.0000 C   0  0
   -9.0998    3.7387    0.0000 C   0  0
   -7.8007    2.9888    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  9  1  0
  9 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 26  2  0
 22 31  1  0
 31 32  2  0
 32 19  1  0
M  END
> <name>
Broad_2021

> <id>
33611

> <plate>
Plate_1

> <well>
O07

> <supplier_cmpd_name>
JW 55

> <ctcr_id>
8262

> <supplier_cmpd_id>
JW 55

> <smiles>
COc1ccc(cc1)C2(CCOCC2)CNC(=O)c3ccc(NC(=O)c4occc4)cc3

> <pd_targets>
{TNKS,TNKS2}

> <pathway_gtopdb>
{Enzyme,Transferase}

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

> <pathway_reactome>
{"Signal Transduction","Intracellular signaling by second messengers","PIP3 activates AKT signaling","PTEN Regulation","Regulation of PTEN stability and activity"}

> <broad_targets>
{TNKS,TNKS2}

> <broad_moa>
{"tankyrase inhibitor"}

> <synonyms>
{664993537,jw55,"JW 55",JW-55,JW55,CHEMBL3753077,C25H26N2O5,"JW55 Inhibitor",QCR-64,QCR64,SCHEMBL1896657,CHEBI:95068,AOB1062,DTXSID60387940,EX-A274,EXA274,SYN5186,HMS1591J12,HMS3426G05,BCP08451,ZINC94
58454,3754AH,BDBM50136777,MFCD03863265,s6745,STK774983,AKOS001733937,C,T1807,4514,16260}

> <pdid>
PD003429

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2946601}

$$$$
Broad_2021
  SciTegic11012413022D

 14 15  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -2.1885    3.7539    0.0000 N   0  0
   -4.6581    2.9476    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  5  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
  6 13  1  0
 13  2  1  0
 13 14  2  0
M  END
> <name>
Broad_2021

> <id>
33612

> <plate>
Plate_1

> <well>
P07

> <supplier_cmpd_name>
Temozolomide

> <ctcr_id>
5602

> <supplier_cmpd_id>
Temozolomide

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

> <pd_targets>
{KMT2A,MEN1}

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

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{MGMT}

> <broad_moa>
{"DNA alkylating agent"}

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

> <pdid>
PD001314

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

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

> <pubchem_cids>
{5394}

$$$$
Broad_2021
  SciTegic11012413022D

 24 26  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -4.0312   -5.2379    0.0000 C   0  0
   -5.4984   -5.5497    0.0000 S   0  0
   -6.2484   -4.2507    0.0000 C   0  0
   -5.2447   -3.1360    0.0000 N   0  0
   -7.7409   -4.0938    0.0000 C   0  0
   -8.7075   -5.2344    0.0000 C   0  0
  -10.1833   -4.9658    0.0000 C   0  0
  -10.6886   -3.5535    0.0000 C   0  0
   -9.7181   -2.4097    0.0000 C   0  0
   -8.2423   -2.6783    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 13  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 10 24  2  0
 24  6  1  0
M  END
> <name>
Broad_2021

> <id>
33613

> <plate>
Plate_1

> <well>
A08

> <supplier_cmpd_name>
KHS 101 hydrochloride

> <ctcr_id>
8305

> <supplier_cmpd_id>
KHS 101 hydrochloride

> <smiles>
CC(C)CNc1ccnc(NCc2csc(n2)c3ccccc3)n1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{TACC3}

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

> <synonyms>
{1262770739,"1262770 73 9",KHS101,"N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine","N4isobutylN2((2phenylthiazol4yl)methyl)pyrimidine2,4diamine","N4 isobutyl N2 ((2 phenylthiazol 
4 yl)methyl)pyrimidine 2,4 diamine",KHS-101,KHS1,T5170,K4019,"KHS101 hydrochloride","KHS 101 hydrochloride"}

> <pdid>
PD003321

> <targets>
{PLK1,FGFR}

> <classes>
{Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{71304818,90488983}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33614

> <plate>
Plate_1

> <well>
B08

> <supplier_cmpd_name>
Regorafenib

> <ctcr_id>
4826

> <supplier_cmpd_id>
Regorafenib

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 24 26  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    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 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8056   -3.8680    0.0000 C   0  0
   -3.3371   -5.2929    0.0000 C   0  0
   -4.2146   -6.5095    0.0000 C   0  0
   -1.8371   -5.2877    0.0000 N   0  0
   -1.3786   -3.8595    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1950   -3.0115    0.0000 N   0  0
    6.4915   -3.7659    0.0000 C   0  0
    6.4864   -5.2659    0.0000 C   0  0
    7.7828   -6.0204    0.0000 F   0  0
    5.1848   -6.0115    0.0000 C   0  0
    3.8883   -5.2570    0.0000 N   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 11  2  0
  9 17  2  0
 17  4  1  0
  2 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 18  1  0
M  END
> <name>
Broad_2021

> <id>
33615

> <plate>
Plate_1

> <well>
C08

> <supplier_cmpd_name>
AZD 1480

> <ctcr_id>
7582

> <supplier_cmpd_id>
AZD 1480

> <smiles>
C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c3ncc(F)cn3

> <pd_targets>
{NTRK1,JAK1,JAK2,JAK3,STAT5A,STAT3,AURKA}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase Trk family","Tyrosine protein kinase JakA family","Other protein kinase group","Other protein 
kinase AUR family"}

> <pathway_chembl>
{Receptors,"Other protein targets","Catalytic receptors","Transcription factors","Receptor kinases","STAT transcription factors","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor 
tyrosine kinases (nRTKs)","Type VII RTKs: Neurotrophin receptor/Trk family","Janus kinase (JakA) family","Other protein kinases","Aurora kinase (Aur) family"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Cell Cycle",Disease,"Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system",Mitotic,"Diseases of signal transduction by growth factor rec
eptors and second messengers","Signaling by NTRKs","Interferon Signaling","Mitotic G1 phase and G1/S transition","Signaling by Interleukins","Signaling by FGFR in disease","Signaling by NTRK1 (TRKA)",
"Antiviral mechanism by IFN-stimulated genes","G1 Phase","Interleukin-2 family signaling","Signaling by FGFR1 in disease","Signalling to ERKs","ISG15 antiviral mechanism","Cyclin D associated events i
n G1","Interleukin-15 signaling","FGFR1 mutant receptor activation","Prolonged ERK activation events","Signaling by cytosolic FGFR1 fusion mutants","ARMS-mediated activation","Gene expression (Transcr
iption)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional Regulation by TP53","Regulation of TP53 Activity","Regulation of TP53 Activity through Phosphorylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AZD1480,AZD-1480,935666-88-9,935666889,"AZD 1480",UNII-KL2Z2TLF01,UNIIKL2Z2TLF01,C14H14ClFN8,KL2Z2TLF01,CHEMBL1231124,2xa4,cc-358,cc358,MLS006011153,GTPL5933,QCR-23,QCR23,SCHEMBL3345019,AMMD00048,DTX
SID50239469,EX-A450,EXA450,BCPP000361,AOB87317,BCP02413,"AZD1480,AZD 1480",AZD1480/AZD-1480,AZD1480/AZD1480,T3069,S2162}

> <pdid>
PD003374

> <targets>
{JAK}

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

> <pubchem_cids>
{16659841}

$$$$
Broad_2021
  SciTegic11012413022D

 35 38  0  0  0  0            999 V2000
    3.9254   -5.8780    0.0000 C   0  0
    4.8082   -4.6653    0.0000 C   0  0
    6.2998   -4.8240    0.0000 C   0  0
    5.4168   -6.0363    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 N   0  0
   -3.8990   -0.7455    0.0000 S   0  0
   -3.8964    0.7545    0.0000 O   0  0
   -2.5988    0.0025    0.0000 O   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -5.2034   -2.9932    0.0000 C   0  0
   -3.9059   -3.7459    0.0000 F   0  0
   -6.5040   -3.7406    0.0000 C   0  0
   -7.8015   -2.9879    0.0000 C   0  0
   -7.7984   -1.4879    0.0000 C   0  0
   -6.4978   -0.7406    0.0000 C   0  0
   -6.4947    0.7594    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 S   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 N   0  0
    6.1382    2.3782    0.0000 C   0  0
    7.5955    2.7333    0.0000 N   0  0
    5.7171    0.9385    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  2  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 17  1  0
 23 24  1  0
 12 25  2  0
 25  8  1  0
 25 26  1  0
  7 27  2  0
 27 28  1  0
 28  5  1  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 35 29  1  0
M  END
> <name>
Broad_2021

> <id>
33616

> <plate>
Plate_1

> <well>
D08

> <supplier_cmpd_name>
Dabrafenib

> <ctcr_id>
6573

> <supplier_cmpd_id>
Dabrafenib

> <smiles>
CC(C)(C)c1nc(c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(s1)c4ccnc(N)n4

> <pd_targets>
{RIPK1,BRAF,DSTYK,RIPK2,RIPK3,ARAF,KRAS,TGFBR1,RAF1,SIK1,NEK11,LIMK1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","TKL protein kinase group","CAMK protein kinase group","Other protein kinase group","TKL protein kinase RIPK family","TKL protein kinase RAF fami
ly","TKL protein kinase STKR family","CAMK protein kinase CAMK1 family","Other protein kinase NEK family","TKL protein kinase LISK family","TKL protein kinase STKR Type 1 subfamily","CAMK protein kina
se QIK subfamily","Other protein kinase Nek11","TKL protein kinase LIMK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","3.6.5.2 Small monomeric GTPases","Kinases (EC 2.7.x.x)","Receptor kinases","RAS subfamily","CAMK: Calcium/calmodulin-dependent protein kinases","TKL: Tyrosine
 kinase-like","Other protein kinases","CAMK-like (CAMKL) family","Receptor interacting protein kinase (RIPK) family","RAF family","Other-unique family","Receptor serine/threonine kinase (RSTK) family"
,"QIK subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","LIM domain kinase (LISK) family","Type I receptor serine/threonine kinases","LIMK subfamily"}

> <pathway_reactome>
{"Immune System","Signal Transduction",Disease,"Neuronal System","Circadian Clock","Developmental Biology","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduct
ion by growth factor receptors and second messengers","Transmission across Chemical Synapses","MAPK family signaling cascades","Nervous system development","Toll-like Receptor Cascades","Signaling by 
NTRKs","Oncogenic MAPK signaling","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by TGF-beta Receptor Complex in Cancer","MAPK1/MAPK3 signaling","Axon guidance","Toll Lik
e Receptor 4 (TLR4) Cascade","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","Signaling by RAS mutants","Activation of NMDA receptors and postsynaptic events","Loss of Function of SM
AD2/3 in Cancer","RAF/MAP kinase cascade","Semaphorin interactions","MyD88-independent TLR4 cascade","Signalling to ERKs","MyD88 cascade initiated on plasma membrane","Signaling downstream of RAS muta
nts","Post NMDA receptor activation events","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Negative regulation of MAPK pathway","Sema4D in semaphorin signaling","TRIF(TICAM1)-mediated TLR4 signali
ng","Prolonged ERK activation events","MAP kinase activation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Negative feedback regulation of MAPK pathway","Sema4D 
induced cell migration and growth-cone collapse","IKK complex recruitment mediated by RIP1","ARMS-mediated activation","activated TAK1 mediates p38 MAPK activation","Ras activation upon Ca2+ influx th
rough NMDA receptor"}

> <broad_targets>
{BRAF,LIMK1,NEK11,RAF1,SIK1}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{Dabrafenib,1195765-45-7,1195765457,Tafinlar,"Dabrafenib (GSK2118436)",GSK2118436A,UNII-QGP4HA4G1B,UNIIQGP4HA4G1B,"Dabrafenib (Free Base)",QGP4HA4G1B,"GSK 2118436","1195765-45-7 (free base)","11957654
57 (free base)",CHEBI:75045,Dabrafenib-d9,Dabrafenibd9,GSK-2118436,GSK2118436,GSK-2118436A,"Dabrafenib Mesylate (GSK-2118436)","Dabrafenib Mesylate (GSK2118436)",T1903,16989,S2807,dabrafenib}

> <pdid>
PD003542

> <targets>
{Raf}

> <classes>
{MAPK}

> <pubchem_cids>
{44462760}

$$$$
Broad_2021
  SciTegic11012413022D

 31 34  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1047   -0.0031    0.0000 N   0  0
   -5.8532   -1.3040    0.0000 C   0  0
   -5.1009   -2.6017    0.0000 O   0  0
   -7.3541   -1.3071    0.0000 C   0  0
   -8.1041   -2.6061    0.0000 C   0  0
   -9.6041   -2.6062    0.0000 C   0  0
  -10.3542   -1.3072    0.0000 C   0  0
   -9.6042   -0.0081    0.0000 C   0  0
   -8.1042   -0.0081    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -4.6589    2.9478    0.0000 C   0  0
   -5.1253    4.3743    0.0000 C   0  0
   -6.5937    4.6845    0.0000 C   0  0
   -7.0620    6.1095    0.0000 C   0  0
   -8.5303    6.4166    0.0000 C   0  0
   -9.5303    5.2986    0.0000 C   0  0
   -9.0621    3.8735    0.0000 C   0  0
   -7.5939    3.5665    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  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
 12 22  1  0
 22  8  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
M  END
> <name>
Broad_2021

> <id>
33617

> <plate>
Plate_1

> <well>
E08

> <supplier_cmpd_name>
BRD 4770

> <ctcr_id>
8287

> <supplier_cmpd_id>
BRD 4770

> <smiles>
COC(=O)c1ccc2c(c1)nc(NC(=O)c3ccccc3)n2CCCc4ccccc4

> <pd_targets>
{EHMT2}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,"Protein methyltransferase"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","2.1.1.43 Histone methyltransferases (HMTs)"}

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

> <broad_targets>
{EHMT2}

> <broad_moa>
{"histone lysine methyltransferase inhibitor"}

> <synonyms>
{BRD4770,1374601-40-7,1374601407,"Methyl 2-benzamido-1-(3-phenylpropyl)-1H-benzo(d)imidazole-5-carboxylate","Methyl 2benzamido1(3phenylpropyl)1Hbenzo(d)imidazole5carboxylate","BRD 4770",BRD-4770,"meth
yl 2-benzamido-1-(3-phenylpropyl)benzimidazole-5-carboxylate","methyl 2benzamido1(3phenylpropyl)benzimidazole5carboxylate",C25H23N3O3,GTPL7016,AOB3886,CHEMBL3970748,SCHEMBL16569005,EX-A69,EXA69,T1923,
S7591,BRD4770}

> <pdid>
PD003347

> <targets>
{Histone Methyltransferase}

> <classes>
{Epigenetics}

> <pubchem_cids>
{72193870}

$$$$
Broad_2021
  SciTegic11012413022D

 17 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    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 C   0  0
   -2.8470    1.0097    0.0000 N   0  0
   -3.5970   -0.2893    0.0000 N   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 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16  2  1  0
 16 17  1  0
 17  9  2  0
 17 12  1  0
M  END
> <name>
Broad_2021

> <id>
33618

> <plate>
Plate_1

> <well>
F08

> <supplier_cmpd_name>
SP600125

> <ctcr_id>
5328

> <supplier_cmpd_id>
SP600125

> <smiles>
O=C1c2ccccc2c3[nH]nc4cccc1c34

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{MAPK10,MAPK8,MAPK8IP1,MAPK9,TTK}

> <broad_moa>
{"JNK inhibitor"}

> <synonyms>
{129-56-6,129566,"1,9-Pyrazoloanthrone","1,9Pyrazoloanthrone",SP600125,Pyrazolanthrone,"Dibenzo(cd,g)indazol-6(2H)-one","Dibenzo(cd,g)indazol6(2H)one",Pyrazoleanthrone,"SP 600125","Anthra(1,9-cd)pyraz
ol-6(2H)-one","Anthra(1,9cd)pyrazol6(2H)one",SP-600125,"Anthra-1,9-pyrazol-6-none","Anthra1,9pyrazol6none","JNK Inhibitor II",2H-Dibenzo(cd,2HDibenzo(cd,S1460,"EMD 420119",SY-SP600125,1496,EI-305,"SP6
00125 (pyrazolanthrone)",420119,"SP600125 (JNK Inhibitor II)"}

> <pdid>

> <targets>
{"JNK kinases",JNK,Apoptosis,Autophagy,Ferroptosis}

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

> <pubchem_cids>
{8515}

$$$$
Broad_2021
  SciTegic11012413022D

 29 31  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  5
    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
    3.8926    3.7566    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 N   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -3.9055   -5.2465    0.0000 O   0  0
   -2.6109   -7.4996    0.0000 C   0  0
   -3.9117   -8.2482    0.0000 N   0  3
   -3.9170   -9.7482    0.0000 C   0  0
   -5.2186  -10.4937    0.0000 C   0  0
   -6.5150   -9.7392    0.0000 N   0  0
   -6.5099   -8.2392    0.0000 C   0  0
   -5.2082   -7.4937    0.0000 C   0  0
   -7.8189  -10.4824    0.0000 C   0  0
   -9.1150   -9.7257    0.0000 C   0  0
  -10.4193  -10.4666    0.0000 C   0  0
  -11.7131   -9.7077    0.0000 C   0  0
  -11.7027   -8.2077    0.0000 C   0  0
  -10.3985   -7.4667    0.0000 C   0  0
   -9.1047   -8.2257    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
  3  7  1  0
  7  8  2  0
  8  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  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 20 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
M  CHG  2   1  -1  17   1
M  END
> <name>
Broad_2021

> <id>
33619

> <plate>
Plate_1

> <well>
G08

> <supplier_cmpd_name>
PAC-1

> <ctcr_id>
7251

> <supplier_cmpd_id>
PAC-1

> <smiles>
[O-]c1c(CC=C)cccc1/C=N/NC(=O)C[NH+]2CCN(CC2)Cc3ccccc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{C23H28N4O2,"PAC 1",STL045988,AKOS005699215,S2738,PAC-1}

> <pdid>

> <targets>
{Caspase,Apoptosis,Autophagy}

> <classes>
{Apoptosis,Autophagy}

> <pubchem_cids>
{9675990}

$$$$
Broad_2021
  SciTegic11012413022D

 19 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1953    1.5031    0.0000 N   0  0
   -5.1932    3.0039    0.0000 C   0  0
   -6.4914    3.7570    0.0000 C   0  0
   -6.4893    5.2570    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.0114   -1.7530    0.0000 N   0  0
   -4.4013   -3.1233    0.0000 C   0  0
   -2.9095   -2.9665    0.0000 C   0  0
   -1.9057   -4.0811    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  1  0
  7 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 12  1  0
 17 18  1  0
 18  5  1  0
 18 19  2  0
 19  2  1  0
M  END
> <name>
Broad_2021

> <id>
33620

> <plate>
Plate_1

> <well>
H08

> <supplier_cmpd_name>
BMS-345541

> <ctcr_id>
2441

> <supplier_cmpd_id>
BMS-345541

> <smiles>
Cc1ccc2NC(=NCCN)c3ncc(C)n3c2c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{445430-58-0,445430580,BMS-345541,BMS345541,"BMS-345541 free base","BMS345541 free base","N1-(1,8-dimethylimidazo(1,2-a)quinoxalin-4-yl)ethane-1,2-diamine","N1(1,8dimethylimidazo(1,2a)quinoxalin4yl)et
hane1,2diamine",UNII-26SU0NEF5F,UNII26SU0NEF5F,"BMS-345541(free base)","BMS345541(free base)","BMS-345541 (free base)","BMS345541 (free base)","IKK Inhibitor III, BMS-345541","IKK Inhibitor III, BMS34
5541",26SU0NEF5F,1,2-Ethanediamine,2Ethanediamine,S8044}

> <pdid>

> <targets>
{I??B/IKK,I?B/IKK}

> <classes>
{NF-?B}

> <pubchem_cids>
{9813758}

$$$$
Broad_2021
  SciTegic11012413022D

 19 20  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 C   0  0
  -10.3884   -1.5226    0.0000 O   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -7.8059    2.9863    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 12  1  0
 18 19  1  0
M  END
> <name>
Broad_2021

> <id>
33621

> <plate>
Plate_1

> <well>
I08

> <supplier_cmpd_name>
Isoliquiritigenin

> <ctcr_id>
2395

> <supplier_cmpd_id>
Isoliquiritigenin

> <smiles>
Oc1ccc(cc1)/C=C/C(=O)c2ccc(O)cc2O

> <pd_targets>
{NFO,RORC,CHRNA7,HSD17B2,XDH,HSD17B1,CYP19A1,NANH,GBA,BLM,HPGD,MAPT,CYP2C19,CYP3A4,KMT2A,MEN1,LMNA,CYP2C9,GMNN,MAOB,PSMB5,BACE1,AKR1B1,APP,PMP22,NPSR1,POL,MAOA,SMARCA2,ESR2,PTGS1,PTGS2,ESR1,ALOX5,NFKB
1,NFKB2,RELA,MTOR,NLRP3}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Ion channel","Other cytosolic protein","Epigenetic regulator","Other nuclear protein","Unclassified protein","Membrane receptor",Hydrolase,"Nuclear receptor","Ligand-ga
ted ion channel",Oxidoreductase,"Cytochrome P450",Reader,Protease,"Family A G protein-coupled receptor",Kinase,"Nuclear hormone receptor subfamily 1","Nicotinic acetylcholine receptor","Cytochrome P45
0 family 19","Cytochrome P450 family 2","Cytochrome P450 family 3",Bromodomain,"Threonine protease","Aspartic protease","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 3","Prote
in Kinase","Nuclear hormone receptor subfamily 1 group F","Nicotinic acetylcholine receptor alpha subunit","Cytochrome P450 family 19A","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Threoni
ne protease PBT clan","Aspartic protease AA clan","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 3 group A","Atypical protein kinase group","Nuclear hormone receptor subf
amily 1 group F member 3","Cytochrome P450 19A1","Cytochrome P450 2C19","Cytochrome P450 3A4","Cytochrome P450 2C9","Threonine protease T1A subfamily","Aspartic protease A1A subfamily","Neuropeptide r
eceptor","Nuclear hormone receptor subfamily 3 group A member 2","Nuclear hormone receptor subfamily 3 group A member 1","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"Other protein targets","Nuclear hormone receptors","Ligand-gated ion channels","1.-.-.- Oxidoreductases","Cytochrome P450","3.2.1.- Glycosidases","Eicosanoid turnove
r","Catecholamine turnover","Peptidases and proteinases","G protein-coupled receptors","Bromodomain-containing proteins","Kinases (EC 2.7.x.x)","Catalytic receptors","1F. Retinoic acid-related orphans
","Nicotinic acetylcholine receptors",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","Prostaglandin synthases","CYP2 family: drug metabolising subset","CYP3 family","PB: Threonine (T) Peptidases","AA: A
spartic (A) Peptidases","Neuropeptide S receptor","Non-enzymatic BRD containing proteins","Steroid hormone receptors",Lipoxygenases,Atypical,"Pattern recognition receptors","T1: Proteasome","A1: Pepsi
n","3A. Estrogen receptors","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","NOD-like receptor family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Neuronal System",Metabolism,"Signal Transduction","DNA Repair","Cell Cycle","Metabolism of proteins","Immune System","Developmental Biology",Disease,"RNA Polymerase
 II Transcription","Transmission across Chemical Synapses","Metabolism of lipids","Metabolism of nucleotides","Signaling by GPCR","Biological oxidations","DNA Double-Strand Break Repair",Mitotic,"Amyl
oid fiber formation","Innate Immune System","Nervous system development","Infectious disease","Intracellular signaling by second messengers","Generic Transcription Pathway","Neurotransmitter receptors
 and postsynaptic signal transmission","Metabolism of steroids","Nucleobase catabolism","GPCR downstream signalling","Phase I - Functionalization of compounds","Sphingolipid metabolism","Homology Dire
cted Repair","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Mitotic G1 phase and G1/S transition","Regulation of mitotic cell cycle","Toll-like Receptor Cascades","EGR2 and SOX
10-mediated initiation of Schwann cell myelination","Leishmania infection","PIP3 activates AKT signaling","Transcriptional regulation by RUNX3","Acetylcholine binding and downstream events","Metabolis
m of steroid hormones","Purine catabolism","G alpha (i) signalling events","Cytochrome P450 - arranged by substrate type","Glycosphingolipid metabolism","HDR through Homologous Recombination (HRR) or 
Single Strand Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","G1/S Transition","Amine Oxidase reactions","A
PC/C-mediated degradation of cell cycle proteins","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival","Transcriptional regulation by RUNX1","Negative regulation of the PI3K
/AKT network","Biosynthesis of DPA-derived SPMs","Transcriptional Regulation by TP53","Cell recruitment (pro-inflammatory response)","RUNX3 Regulates Immune Response and Cell Migration","Postsynaptic 
nicotinic acetylcholine receptors","Estrogen biosynthesis","Visual phototransduction","Endogenous sterols","HDR through Homologous Recombination (HRR)","Biosynthesis of D-series resolvins","Post NMDA 
receptor activation events",Xenobiotics,"Biosynthesis of maresins","Mitotic Anaphase","Activation of the pre-replicative complex","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and M
AOB","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Pregnenolone biosynthesis","MyD88 cascade initiated on plasma membrane","Anti-inflammatory response favouring Leish
mania parasite infection","RUNX1 interacts with co-factors whose precise effect on RUNX1 targets is not known",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","RUNX1 regulates estrogen receptor media
ted transcription","Biosynthesis of DPAn-3 SPMs","Regulation of TP53 Activity","Purinergic signaling in leishmaniasis infection","Highly calcium permeable postsynaptic nicotinic acetylcholine receptor
s","The canonical retinoid cycle in rods (twilight vision)","Homologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","Biosynthesis of maresin-like SPMs
","Nuclear Envelope (NE) Reassembly","APC/C:Cdc20 mediated degradation of mitotic proteins","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","ADORA2B mediated anti-inflammatory 
cytokines production","Biosynthesis of DPAn-3-derived 13-series resolvins","Regulation of TP53 Expression and Degradation","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation
 of Nuclear Envelope (NE) Reformation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Regulation of TP53 Degradation","Cdc20:Phospho-APC/C m
ediated degradation of Cyclin A"}

> <broad_targets>
{GABBR1}

> <broad_moa>
{"guanylate cyclase activator"}

> <synonyms>
{Lopac0000681,Lopac0-000681,"Lopac0 000681",isoliquiritigenin,961-29-5,961295,"2',4,4'-Trihydroxychalcone","2',4,4'Trihydroxychalcone","4,2',4'-Trihydroxychalcone","4,2',4'Trihydroxychalcone","(E)-1-(
2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","(E)1(2,4dihydroxyphenyl)3(4hydroxyphenyl)prop2en1one",6'-deoxychalcone,6'deoxychalcone,"2',4',4-Trihydroxychalcone","2',4',4Trihydroxychalcone
",isoliquirtigenin,UNII-B9CTI,UNIIB9CTI,T0725,10739,1504200,Isoliquiritigenin,ISOLIQUIRITIGENIN}

> <pdid>
PD001236

> <targets>
{}

> <classes>
{antineoplastic,"aldose reductase inhibitor",antiinflammatory}

> <pubchem_cids>
{638278}

$$$$
Broad_2021
  SciTegic11012413022D

 32 35  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6531   -3.1237    0.0000 N   0  0
   -3.6607   -4.2349    0.0000 C   0  0
   -5.1519   -4.0729    0.0000 Cl  0  0
   -2.9152   -5.5365    0.0000 C   0  0
   -3.5301   -6.9047    0.0000 Cl  0  0
   -1.4469   -5.2297    0.0000 C   0  0
   -0.3292   -6.2312    0.0000 N   0  0
    1.1382   -6.0219    0.0000 C   0  0
    1.8480   -4.7005    0.0000 Cl  0  0
    1.7818   -7.3769    0.0000 C   0  0
    3.2562   -7.6527    0.0000 Cl  0  0
    0.6920   -8.4076    0.0000 C   0  0
   -0.6250   -7.6897    0.0000 C   0  0
   -1.9828   -8.3228    0.0000 C   0  0
   -3.2112   -7.4620    0.0000 O   0  0
   -2.1147   -9.8179    0.0000 C   0  0
   -0.8848  -10.6767    0.0000 C   0  0
   -1.0135  -12.1711    0.0000 C   0  0
   -2.3721  -12.8069    0.0000 C   0  0
   -3.6020  -11.9482    0.0000 C   0  0
   -3.4733  -10.4537    0.0000 C   0  0
   -4.7032   -9.5950    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 14 16  1  0
 16 10  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 31 32  1  0
M  END
> <name>
Broad_2021

> <id>
33622

> <plate>
Plate_1

> <well>
J08

> <supplier_cmpd_name>
Maritoclax

> <ctcr_id>
8326

> <supplier_cmpd_id>
Maritoclax

> <smiles>
Oc1ccccc1C(=O)c2[nH]c(Cl)c(Cl)c2n3c(Cl)c(Cl)cc3C(=O)c4ccccc4O

> <pd_targets>
{BCL2L11,MCL1,BCL2L1}

> <pathway_gtopdb>
{"Other cytosolic protein","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","Cytokine Signaling in Immune system","Signaling by Interleukins","Interleukin-4 and Interleukin-13 signaling"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Marinopyrrole A",Maritoclax,"(-)-marinopyrrole A","()marinopyrrole A","( ) marinopyrrole A",1227962-62-0,1227962620,"1227962 62 0",1010732-14-5,1010732145,"1010732 14 5",(-)-Maritoclax,()Maritoclax,
"( ) Maritoclax",CHEBI:66678,Marinopyrro,5368}

> <pdid>
PD003413

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{24797083}

$$$$
Broad_2021
  SciTegic11012413022D

 26 27  0  0  1  0            999 V2000
   11.6192    2.6969    0.0000 C   0  0
   10.6004    1.5959    0.0000 C   0  0
   11.0451    0.1633    0.0000 C   0  0
    9.1366    1.9269    0.0000 C   0  0  2  0  0  0
    8.6920    3.3595    0.0000 O   0  0
    8.1173    0.8252    0.0000 C   0  0
    8.5619   -0.6073    0.0000 O   0  0
    6.6534    1.1562    0.0000 N   0  0
    5.6342    0.0546    0.0000 C   0  0  1  0  0  0
    6.0788   -1.3780    0.0000 C   0  0
    4.1703    0.3856    0.0000 C   0  0
    3.7257    1.8182    0.0000 O   0  0
    3.1510   -0.7161    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0  2  0  0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5242    2.0130    0.0000 O   0  0
    0.0000    1.7286    0.0000 N   0  0
    0.0000    3.2286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  1
  9 11  1  0
 11 12  2  0
 11 13  1  0
 14 13  1  1
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 14  1  0
 26 21  1  0
M  END
> <name>
Broad_2021

> <id>
33623

> <plate>
Plate_1

> <well>
K08

> <supplier_cmpd_name>
Semagacestat

> <ctcr_id>
7153

> <supplier_cmpd_id>
Semagacestat

> <smiles>
CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H]1C(=O)N(C)CCc2ccccc12

> <pd_targets>
{APH1A,APH1B,NCSTN,PSEN1,PSEN2,PSENEN}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Protease,"Other ion channel","Aspartic protease","Miscellaneous ion channel","Aspartic protease AD clan","Presenilin ER Ca2+ leak channel family","Aspartic protease A22A subfamil
y","Aspartic protease A22A regulatory subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","AD: Aspartic (A) Peptidases","A22: Presenilin"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","EPH-Ephrin signaling","EPH-ephrin mediated repulsion of cells"}

> <broad_targets>
{PSEN1}

> <broad_moa>
{"gamma secretase inhibitor"}

> <synonyms>
{Semagacestat,425386-60-3,425386603,LY450139,"Semagacestat (LY450139)",LY-450139,"LY 450139",UNII-3YN0602W4W,UNII3YN0602W4W,866488-53-1,866488531,3YN0602W4W,"Semagacestat (USAN:INN)",PubChem20549,"Sem
agacestat (USAN/INN)","Semagacestat; LY450139",cc-411,cc411,MLS00601018,T6125,S1594,semagacestat}

> <pdid>
PD003375

> <targets>
{Gamma-secretase,Amyloid-²,Notch,³-secretase}

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

> <pubchem_cids>
{9843750}

$$$$
Broad_2021
  SciTegic11012413022D

 25 28  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1953   -1.5031    0.0000 N   0  0
   -5.1932   -3.0039    0.0000 C   0  0
   -6.4896   -3.7585    0.0000 C   0  0
   -6.4844   -5.2585    0.0000 C   0  0
   -5.1828   -6.0040    0.0000 C   0  0
   -3.8863   -5.2495    0.0000 C   0  0
   -2.5847   -5.9950    0.0000 Cl  0  0
   -3.8915   -3.7495    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 13  1  0
 11 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25  7  1  0
 25 20  1  0
M  END
> <name>
Broad_2021

> <id>
33624

> <plate>
Plate_1

> <well>
L08

> <supplier_cmpd_name>
Silmitasertib

> <ctcr_id>
4306

> <supplier_cmpd_id>
Silmitasertib

> <smiles>
OC(=O)c1ccc2c(c1)nc(Nc3cccc(Cl)c3)c4ccncc24

> <pd_targets>
{CSNK2A1,CSNK2A2,CSNK2A3,CSNK2B,DYRK1A,DYRK1B,TBK1,PIM1,CCNB1,CCNB2,CCNB3,CDK1,DAPK3,CLK2,PIM2,CLK3,HIPK3,FLT3,CCNE1,CDK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Protein kinase regulatory subunit","Other protein kinase group","CMGC protein kinase group","CAMK protein kinase group","TK protein kinase group","Other protein kinase
 CK2 family","CMGC protein kinase DYRK family","Other protein kinase IKK family","CAMK protein kinase PIM family","CMGC protein kinase CDK family","CAMK protein kinase DAPK family","CMGC protein kinas
e CLK family","Tyrosine protein kinase PDGFR family","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase HIPK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","Dual-specificit
y tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Other protein kinases","PIM family","Death-associated kinase (DAPK) family","CLK family","TK: Tyrosine kinase","Dyrk1 subfamily","Casein
 kinase 2 (CK2) family","IKK family","HIPK subfamily","Receptor tyrosine kinases (RTKs)","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)","Immune System",Disease,"Programmed Cell Death","Signal Transduction",Mitotic,"RNA Polymerase II Transcription","Innate Immune System","Diseases of sign
al transduction by growth factor receptors and second messengers",Apoptosis,"Signaling by Receptor Tyrosine Kinases","Mitotic G1 phase and G1/S transition","Generic Transcription Pathway","Toll-like R
eceptor Cascades","FLT3 signaling in disease","Caspase activation via extrinsic apoptotic signalling pathway","Signaling by Insulin receptor","G0 and Early G1","Transcriptional Regulation by TP53","To
ll Like Receptor 4 (TLR4) Cascade","Signaling by FLT3 ITD and TKD mutants","Caspase activation via Dependence Receptors in the absence of ligand","Insulin receptor signalling cascade","Regulation of T
P53 Activity","MyD88-independent TLR4 cascade","STAT5 activation downstream of FLT3 ITD mutants","IRS-mediated signalling","Regulation of TP53 Activity through Phosphorylation","TRIF(TICAM1)-mediated 
TLR4 signaling","PI3K Cascade","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon"}

> <broad_targets>
{CSNK2A1,CSNK2A2,DAPK3,HIPK3}

> <broad_moa>
{"casein kinase inhibitor"}

> <synonyms>
{X494,Silmitasertib,1009820-21-6,1009820216,CX-4945,CX4945,"5-((3-Chlorophenyl)amino)benzo(c)(2,6)naphthyridine-8-carboxylic acid","5((3Chlorophenyl)amino)benzo(c)(2,6)naphthyridine8carboxylic acid","
CX-4945 (Silmitasertib)","CX4945 (Silmitasertib)","CX 4945",UNII-C6RWP0N0L2,UNIIC6RWP0N0L2,"5-(3-chlorophenylamino)benzo(c)(2,6)naphthyridine-8-carboxylic acid","5(3chlorophenylamino)benzo(c)(2,6)naph
thyridine8carboxylic acid",5-((3-chlo,5((3chlo,T2259,S2248,SY-CX-4945,silmitasertib}

> <pdid>
PD003261

> <targets>
{"Casein Kinase",Others,PKC,CK2}

> <classes>
{Others}

> <pubchem_cids>
{24748573}

$$$$
Broad_2021
  SciTegic11012413022D

 57 60  0  0  1  0            999 V2000
   -8.8413   -2.4983    0.0000 C   0  0
   -9.6765   -1.2523    0.0000 O   0  0
   -9.0155    0.0951    0.0000 C   0  0  2  0  0  0
   -7.5187    0.1933    0.0000 C   0  0
   -6.8553    1.5387    0.0000 C   0  0  1  0  0  0
   -7.6888    2.7858    0.0000 C   0  0
   -9.1855    2.6876    0.0000 C   0  0
   -9.8489    1.3423    0.0000 C   0  0  1  0  0  0
  -11.3457    1.2441    0.0000 O   0  0
   -5.3575    1.6339    0.0000 C   0  0
   -4.5253    0.3848    0.0000 C   0  0
   -5.1910   -0.9594    0.0000 C   0  0
   -3.0300    0.4800    0.0000 C   0  0  1  0  0  0
   -2.2500    1.7900    0.0000 O   0  0
   -0.7700    1.7900    0.0000 C   0  0
    0.1282    0.5886    0.0000 O   0  0
   -0.3600    3.1800    0.0000 C   0  0  2  0  0  0
   -1.4000    4.1800    0.0000 C   0  0
   -1.0400    5.5700    0.0000 C   0  0
    0.3400    5.9800    0.0000 C   0  0
    1.3600    4.9600    0.0000 C   0  0
    0.9900    3.5700    0.0000 N   0  0
    2.0600    2.5800    0.0000 C   0  0
    1.8859    1.0901    0.0000 O   0  0
    3.3000    3.2800    0.0000 C   0  0
    3.3684    4.7784    0.0000 O   0  0
    4.5000    2.4500    0.0000 C   0  0  2  0  0  0
    4.6374    3.9437    0.0000 O   0  0
    4.3400    0.9300    0.0000 O   0  0
    5.6200    0.1000    0.0000 C   0  0  2  0  0  0
    5.5000   -1.4500    0.0000 C   0  0  2  0  0  0
    4.3000   -2.4200    0.0000 C   0  0
    4.5700   -3.9100    0.0000 C   0  0  1  0  0  0
    5.9693   -4.4504    0.0000 C   0  0
    3.4100   -4.8000    0.0000 C   0  0
    3.4100   -6.5900    0.0000 C   0  0
    1.2900   -6.0600    0.0000 C   0  0
   -0.4500   -6.6300    0.0000 C   0  0  1  0  0  0
   -0.7848   -8.0861    0.0000 C   0  0
    0.3142   -9.1081    0.0000 C   0  0
   -0.0202  -10.5704    0.0000 C   0  0
   -1.8700   -5.0300    0.0000 C   0  0
   -3.3364   -5.3457    0.0000 O   0  0
   -1.2100   -2.9100    0.0000 C   0  0
   -2.5600   -2.1500    0.0000 C   0  0  2  0  0  0
   -3.9640   -2.6781    0.0000 O   0  0
   -2.0600   -0.7300    0.0000 C   0  0  1  0  0  0
   -0.5813   -0.4783    0.0000 C   0  0
    4.3331   -7.7723    0.0000 C   0  0
    6.8303   -2.1506    0.0000 O   0  0
    7.6766   -1.6179    0.0000 C   0  0
    6.9800    0.7100    0.0000 C   0  0  2  0  0  0
    7.0800    2.2400    0.0000 C   0  0
    5.8600    3.0600    0.0000 C   0  0  1  0  0  0
    5.9875    4.5546    0.0000 C   0  0
    8.2040   -0.1575    0.0000 O   0  0
    8.1116   -1.1532    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  6
  5 10  1  1
 10 11  2  0
 11 12  1  0
 13 11  1  1
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  6
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  6
 27 29  1  0
 30 29  1  1
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  1
 33 35  1  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  1  1
 39 40  1  0
 40 41  2  0
 38 42  1  0
 42 43  2  0
 42 44  1  0
 44 45  1  0
 45 46  1  6
 45 47  1  0
 47 13  1  0
 47 48  1  6
 36 49  1  0
 31 50  1  1
 50 51  1  0
 30 52  1  0
 52 53  1  0
 53 54  1  0
 54 27  1  0
 54 55  1  6
 52 56  1  6
 56 57  1  0
M  END
> <name>
Broad_2021

> <id>
33625

> <plate>
Plate_1

> <well>
M08

> <supplier_cmpd_name>
Tacrolimus

> <ctcr_id>
269

> <supplier_cmpd_id>
Tacrolimus

> <smiles>
CO[C@@H]1C[C@@H](CC[C@H]1O)/C=C(C)/[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)CC(=C/[C@@H](CC=C)C(=O)C[C@H](O)[C@H]2C)/C)OC)[C@H](C[C@H]4C)OC

> <pd_targets>
{MTOR,RORC,CYP3A4,CYP3A43,CYP3A5,CYP3A7,FKBP1A,PPP3CA,FKBP5,FKBP1B,NR1I2,FTL,SF3B3,SLCO1B1,ABCC2,ABCB11}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein","Other nuclear protein",Transporter,Kinase,"Nuclear receptor","Cytochrome P450",Isomerase,Phosphatase,"Electrochemical transporter","Primary activ
e transporter","Protein Kinase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Protein Phosphatase","SLC superfamily of solute carriers","ATP-binding cassette","Atypical protein ki
nase group","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Serine/threonine protein phosphatase","Nuclear hormone receptor subfamily 1 group I","SLC21/SLCO family of organ
ic anion transporting polypeptides","ABCC subfamily","ABCB subfamily","Atypical protein kinase PIKK family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cytochrome P4
50 3A5","Nuclear hormone receptor subfamily 1 group I member 2","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Cytochrome P450","Peptidyl-prolyl cis/trans isomerases","SLC superfamily of solute carriers","ATP-binding cassette t
ransporter family",Atypical,"1F. Retinoic acid-related orphans","CYP3 family","1I. Vitamin D receptor-like receptors","SLCO family of organic anion transporting polypeptides","ABCC subfamily","ABCB su
bfamily","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,Disease,"Signal Transduction","Muscle contraction","Metabolism of proteins","Vesicle-mediated transport","Metabolism of RNA","RNA Polymerase II Transcript
ion","Biological oxidations","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by GPCR","Cardiac conduction","Post-translational protein modification","Memb
rane Trafficking","Metabolism of lipids","Processing of Capped Intron-Containing Pre-mRNA","Disorders of transmembrane transporters","Generic Transcription Pathway","Phase I - Functionalization of com
pounds","Signaling by TGF-beta Receptor Complex in Cancer","GPCR downstream signalling","Ion homeostasis",SUMOylation,"trans-Golgi Network Vesicle Budding","Biosynthesis of specialized proresolving me
diators (SPMs)","mRNA Splicing","Metabolism of steroids","ABC transporter disorders","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged by substrate
 type","Loss of Function of TGFBR1 in Cancer","G alpha (i) signalling events","Transcriptional Regulation by MECP2","SUMO E3 ligases SUMOylate target proteins","Golgi Associated Vesicle Biogenesis","B
iosynthesis of DHA-derived SPMs","mRNA Splicing - Major Pathway","Bile acid and bile salt metabolism","Defective ABCC2 causes DJS","Regulation of TP53 Activity","RUNX3 Regulates Immune Response and Ce
ll Migration",Xenobiotics,"TGFBR1 LBD Mutants in Cancer","Opioid Signalling","MECP2 regulates neuronal receptors and channels","SUMOylation of intracellular receptors","Biosynthesis of maresins","Recy
cling of bile acids and salts","Synthesis of bile acids and bile salts","Regulation of TP53 Expression and Degradation","DARPP-32 events","Biosynthesis of maresin-like SPMs","Synthesis of bile acids a
nd bile salts via 7alpha-hydroxycholesterol","Regulation of TP53 Degradation"}

> <broad_targets>
{FKBP1A}

> <broad_moa>
{"calcineurin inhibitor"}

> <synonyms>
{tacrolimus,Fujimycin,Prograf,104987-11-3,104987113,Protopic,FK506,"Tacrolimus anhydrous",Advagraf,Modigraf,Protopy,Fk-506,Fk506,"Anhydrous Tacrolimus","tacrolimus (fk506)","FK 506",FR-900506,FR900506
,8-DEETHYL-8-(BUT-3-ENYL)-ASCOMYCIN,8DEETHYL8(BUT3ENYL)ASCOMYCIN,UNII-Y5L2157C4J,UNIIY5L2157C4J,"Astagraf XL",FR,T2144,S5003,1503968,Tacrolimus,TACROLIMUS}

> <pdid>
PD002855

> <targets>
{}

> <classes>
{"immune suppressant",antifungal}

> <pubchem_cids>
{445643}

$$$$
Broad_2021
  SciTegic11012413022D

 31 32  0  0  1  0            999 V2000
    3.8926   -3.7566    0.0000 C   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 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -2.5986    0.0004    0.0000 O   0  0
   -2.5998    3.0012    0.0000 C   0  0
   -3.8993    3.7504    0.0000 C   0  0
   -3.9002    5.2504    0.0000 C   0  0
   -2.6017    6.0012    0.0000 C   0  0
   -2.6057    7.5021    0.0000 N   0  0
   -3.9070    8.2498    0.0000 C   0  0
   -5.2043    7.4967    0.0000 O   0  0
   -3.9111    9.7506    0.0000 C   0  0  1  0  0  0
   -3.9144   11.2506    0.0000 C   0  0
   -2.6138   10.5037    0.0000 O   0  0
   -5.2123   10.4983    0.0000 C   0  0
   -5.2164   11.9983    0.0000 F   0  0
   -6.5133   11.2450    0.0000 F   0  0
   -6.5096    9.7453    0.0000 F   0  0
   -1.3022    5.2521    0.0000 C   0  0
   -0.0036    6.0029    0.0000 Cl  0  0
   -1.3012    3.7521    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  9 12  1  0
 12 13  2  0
 12 14  2  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  1
 22 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 18 29  1  0
 29 30  1  0
 29 31  2  0
 31 15  1  0
M  END
> <name>
Broad_2021

> <id>
33626

> <plate>
Plate_1

> <well>
N08

> <supplier_cmpd_name>
AZD7545

> <ctcr_id>
8286

> <supplier_cmpd_id>
AZD7545

> <smiles>
CN(C)C(=O)c1ccc(cc1)[S](=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2

> <pd_targets>
{PDK1,PDK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PDHK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"PDHK family"}

> <pathway_reactome>
{Metabolism,"The citric acid (TCA) cycle and respiratory electron transport","Pyruvate metabolism and Citric Acid (TCA) cycle","Pyruvate metabolism","Regulation of pyruvate dehydrogenase (PDH) complex
"}

> <broad_targets>
{PDK1}

> <broad_moa>
{"pyruvate dehydrogenase kinase inhibitor"}

> <synonyms>
{AZD7545,252017-04-2,252017042,AZD-7545,CHEMBL1231132,"AZD 7545",2q8g,Azd4575,C19H18ClF3N2O5S,GTPL9362,SCHEMBL6350247,AOB6866,AZD-7547,AZD7547,BCP07524,EX-A1208,EXA1208,ZINC1547088,2244AH,BDBM50236535
,MFCD25976792,s7517,AKOS027326647,"AZD 7545;AZD-7545","AZD 7545;AZD7545",CCG-269530,CCG269530,CS-1740,CS1740,D,S7517,AZD7545}

> <pdid>
PD003430

> <targets>
{PDHK}

> <classes>
{Metabolic Enzyme/Protease}

> <pubchem_cids>
{16741245}

$$$$
Broad_2021
  SciTegic11012413022D

 19 19  0  0  0  0            999 V2000
    9.0769  -12.7722    0.0000 O   0  0
    7.7794  -12.0195    0.0000 N   0  0
    7.7815  -10.5187    0.0000 C   0  0
    9.0819   -9.7710    0.0000 O   0  0
    6.4833   -9.7656    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  END
> <name>
Broad_2021

> <id>
33627

> <plate>
Plate_1

> <well>
O08

> <supplier_cmpd_name>
Vorinostat

> <ctcr_id>
1952

> <supplier_cmpd_id>
Vorinostat

> <smiles>
ONC(=O)CCCCCCC(=O)Nc1ccccc1

> <pd_targets>
{GLI1,HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9,BRD4,HDA106,NCOR2,NCOR1,HDAH,LTA4H,KDM4E,NR0B1,NR1I2,HD1B,RCOR3,CYP3A4,CFTR,PAX8}

> <pathway_gtopdb>
{"Transcription factor","Epigenetic regulator",Enzyme,"Ion channel","Unclassified protein",Eraser,Reader,Hydrolase,Protease,"Nuclear receptor","Cytochrome P450","Other ion channel","Histone deacetylas
e",Bromodomain,"Metallo protease","Lysine demethylase","Nuclear hormone receptor subfamily 0","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Chloride channel","HDAC class I","HDAC 
class IV","HDAC class IIb","HDAC class IIa","Metallo protease MAE clan","Jumonji domain-containing","Nuclear hormone receptor subfamily 0 group B","Nuclear hormone receptor subfamily 1 group I","Cytoc
hrome P450 family 3A","Cystic fibrosis transmembrane conductance regulator","Metallo protease M1 family","Nuclear hormone receptor subfamily 0 group B member 1","Nuclear hormone receptor subfamily 1 g
roup I member 2","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Other protein targets","Chromatin modifying enzymes","Peptidases and proteinases","Nuclear hormone receptors","Cytochrome P450","Other ion channels","Anti-infective 
targets","3.5.1.- Histone deacetylases (HDACs)","Enzymatic bromodomain-containing proteins","MA: Metallo (M) Peptidases","1.14.11.- Histone demethylases","0B. DAX-like receptors","1I. Vitamin D recept
or-like receptors","CYP3 family","Chloride channels","Antimalarial targets","Bromodomain kinase (BRDK) family","M1: Aminopeptidase N",CFTR,"Histone deacetylases (HDACs) (<i>Plasmodium</i> spp.)"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Cell Cycle",Disease,Metabolism,"Metabolism of proteins",Autophagy,"Signaling by Hedgehog","RNA Polymerase II Transcription",Mitotic,"Disorders
 of Developmental Biology","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","Post-translational protein modification",Macr
oautophagy,"Hedgehog 'off' state","Generic Transcription Pathway","M Phase","Disorders of Nervous System Development","SARS-CoV Infections","Signaling by NOTCH1 in Cancer","Biosynthesis of specialized
 proresolving mediators (SPMs)",SUMOylation,"Selective autophagy","Degradation of GLI1 by the proteasome","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Pervasive developmental
 disorders","Potential therapeutics for SARS","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Transcriptional regulation by RUNX2","Biosynthesis of DHA-derived SPMs","Nuclear Receptor transcri
ption pathway","SUMO E3 ligases SUMOylate target proteins",Aggrephagy,"Regulation of TP53 Activity","Mitotic Anaphase","Loss of function of MECP2 in Rett syndrome","Constitutive Signaling by NOTCH1 HD
+PEST Domain Mutants","RUNX2 regulates bone development","Biosynthesis of aspirin-triggered D-series resolvins","SUMOylation of intracellular receptors","Biosynthesis of maresins","Regulation of TP53 
Activity through Acetylation","Separation of Sister Chromatids","Loss of MECP2 binding ability to the NCoR/SMRT complex","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates osteoblast differen
tiation","RUNX2 regulates chondrocyte maturation","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC5,HDAC6,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{Vorinostat,149647-78-9,149647789,SAHA,"suberoylanilide hydroxamic acid",Zolinza,N-hydroxy-N'-phenyloctanediamide,NhydroxyN'phenyloctanediamide,"Suberanilohydroxamic acid",N1-hydroxy-N8-phenyloctanedi
amide,N1hydroxyN8phenyloctanediamide,MK-0683,MK0683,"Vorinostat (SAHA, MK0683)","Octanediamide, N-hydroxy-N'-phenyl-","Octanediamide, NhydroxyN'phenyl",N,T1583,701852,10009929,S1047,Prestw-1362,"NSC 7
01852",vorinostat,VORINOSTAT,"SAHA, Zolinza, Vorinostat"}

> <pdid>
PD001323

> <targets>
{HDAC Inhibitors,Autophagy,HDAC,Apoptosis,Filovirus,Mitophagy}

> <classes>
{Epigenetics,HDAC inhibitor,Anti-infection,Apoptosis,Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{5311}

$$$$
Broad_2021
  SciTegic11012413022D

 32 33  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5909   -6.0056    0.0000 C   0  0
    3.8883   -6.7578    0.0000 C   0  0
    3.8933   -3.7570    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
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 O   0  0
   -4.2067    3.2905    0.0000 N   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 C   0  0
   -6.4441    1.8282    0.0000 C   0  0
   -7.3298    3.0388    0.0000 O   0  0
   -7.0504    0.4553    0.0000 N   0  0
   -8.5424    0.2930    0.0000 C   0  0
   -9.1487   -1.0799    0.0000 C   0  0
  -10.6407   -1.2423    0.0000 C   0  0
  -11.2470   -2.6152    0.0000 C   0  0
  -12.7390   -2.7776    0.0000 C   0  0
  -13.3453   -4.1505    0.0000 C   0  0
  -14.8373   -4.3128    0.0000 C   0  0
  -15.7230   -3.1023    0.0000 O   0  0
  -15.4436   -5.6857    0.0000 N   0  0
  -16.9347   -5.8480    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 15  2  0
 18 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
M  END
> <name>
Broad_2021

> <id>
33628

> <plate>
Plate_1

> <well>
P08

> <supplier_cmpd_name>
CAY10603

> <ctcr_id>
8255

> <supplier_cmpd_id>
CAY10603

> <smiles>
CC(C)(C)OC(=O)Nc1ccc(cc1)c2onc(c2)C(=O)NCCCCCCC(=O)NO

> <pd_targets>
{HDAC1,HDAC8,HDAC2,HDAC6,HDAC3,HDAC10}

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

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

> <pathway_reactome>
{Disease,"Cell Cycle","Gene expression (Transcription)","Disorders of Developmental Biology",Mitotic,"RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and s
econd messengers","Disorders of Nervous System Development","M Phase","Generic Transcription Pathway","Signaling by NOTCH1 in Cancer","Pervasive developmental disorders","Mitotic Metaphase and Anaphas
e","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX2","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Loss of function of MECP2 in Rett syndrome","Mitotic Anaphase","Re
gulation of TP53 Activity","RUNX2 regulates bone development","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Loss of MECP2 binding ability to 5mC-DNA","Separation of Sister Chromatids","Re
gulation of TP53 Activity through Acetylation","RUNX2 regulates osteoblast differentiation","Loss of MECP2 binding ability to the NCoR/SMRT complex"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1045792-66-2,1045792662,BML-281,BML281,CHEMBL511749,CAY-10603,ISOX,"HDAC6 Inhibitor",C22H30N4O6,"HDAC6 inhibitor ISOX",MLS006010316,GTPL9664,SCHEMBL1932723,CHEBI:94306,DTXSID70648059,HMS3648E12,BCP13
475,2306AH,BDBM50261816,MFCD17010286,s7596,ZINC40880490,AKOS026,T1983,S7596,13146,CAY10603,CAY10603}

> <pdid>
PD003360

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{24951314}

$$$$
Broad_2021
  SciTegic11012413022D

 20 21  0  0  1  0            999 V2000
    5.3192   -0.2597    0.0000 C   0  0
    4.1500    0.6800    0.0000 C   0  0  1  0  0  0
    2.5200    0.3600    0.0000 C   0  0
    2.3100   -1.1700    0.0000 C   0  0
    1.3300   -1.6300    0.0000 C   0  0
    0.1900   -1.1200    0.0000 C   0  0
    0.0000    0.3600    0.0000 C   0  0
   -1.5600    0.8100    0.0000 C   0  0  2  0  0  0
   -3.0100    0.3400    0.0000 C   0  0
   -3.9100    1.5700    0.0000 C   0  0  2  0  0  0
   -5.4100    1.5671    0.0000 O   0  0
   -3.0100    2.8100    0.0000 C   0  0
   -1.5600    2.3300    0.0000 C   0  0  1  0  0  0
    0.0000    2.8600    0.0000 C   0  0  1  0  0  0
    1.1178    1.8598    0.0000 O   0  0
    0.3300    4.3600    0.0000 C   0  0
    2.3100    4.3400    0.0000 C   0  0
    2.6310    5.8738    0.0000 C   0  0
    2.2348    4.4271    0.0000 O   0  0
    4.1100    2.4200    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 13 12  1  1
 13  8  1  0
 13 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20  2  1  0
M  END
> <name>
Broad_2021

> <id>
33629

> <plate>
Plate_1

> <well>
A09

> <supplier_cmpd_name>
Brefeldin A

> <ctcr_id>
7964

> <supplier_cmpd_id>
Brefeldin A

> <smiles>
C[C@H]1CCC/C=C/[C@@H]2C[C@H](O)C[C@H]2[C@@H](O)\C=C\C(=O)O1

> <pd_targets>
{NR0B1,THRB,PRNP,TGR,KMT2A,MEN1}

> <pathway_gtopdb>
{"Transcription factor","Surface antigen",Enzyme,"Epigenetic regulator","Nuclear receptor",Reader,"Nuclear hormone receptor subfamily 0","Nuclear hormone receptor subfamily 1",Bromodomain,"Nuclear hor
mone receptor subfamily 0 group B","Nuclear hormone receptor subfamily 1 group A","Nuclear hormone receptor subfamily 0 group B member 1","Nuclear hormone receptor subfamily 1 group A member 2"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","0B. DAX-like receptors","1A. Thyroid hormone receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins","Developmental Biology","RNA Polymerase II Transcription","Post-translational protein modification","Nervous system development","Generic Tr
anscription Pathway",SUMOylation,"Axon guidance","Nuclear Receptor transcription pathway","SUMO E3 ligases SUMOylate target proteins","NCAM signaling for neurite out-growth","SUMOylation of intracellu
lar receptors","NCAM1 interactions"}

> <broad_targets>
{ARF1,CYTH2}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{"brefeldin A",Cyanein,Decumbin,NSC56310,NSC89671,20350-15-6,20350156,SMR001565520,MLS002701937,MLS002702862,NSC107456,NSC244390,"B 174987","(+)-4-epi-Brefeldin A","(+)4epiBrefeldin A",SCHEMBL4345242,
CHEMBL1734306,60132-23-2,60132232,BFA,CP-0070,CP0070,J3.554.023G}

> <pdid>
PD003694

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5351204}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33630

> <plate>
Plate_1

> <well>
B09

> <supplier_cmpd_name>
Sunitinib

> <ctcr_id>
7456

> <supplier_cmpd_id>
Sunitinib

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 21 22  0  0  0  0            999 V2000
    5.0987    0.1239    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2526    1.3618    0.0000 N   0  0
   -6.2524    0.2436    0.0000 C   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -4.0317   -0.7359    0.0000 S   0  0
   -7.7454    0.3952    0.0000 C   0  0
   -8.4584    1.7093    0.0000 C   0  0
   -9.9579    1.7482    0.0000 C   0  0
  -10.7413    0.4691    0.0000 C   0  0
  -12.2408    0.5079    0.0000 Cl  0  0
  -10.0252   -0.8490    0.0000 C   0  0
   -8.5257   -0.8879    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  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  8  1  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
  6 20  1  0
 20 21  2  0
 21  3  1  0
M  END
> <name>
Broad_2021

> <id>
33631

> <plate>
Plate_1

> <well>
C09

> <supplier_cmpd_name>
SKI II

> <ctcr_id>
527

> <supplier_cmpd_id>
SKI II

> <smiles>
Cl.Oc1ccc(Nc2nc(cs2)c3ccc(Cl)cc3)cc1

> <pd_targets>
{MAPT,MAPK1,SPHK1,SPHK2,ALOX5,VCP,RORC,MAPKAPK2,ALOX15,MAP4K4,KMT2A,MEN1,MINK1,DEGS1,TSHR,PIM3,LEF,CYP3A4}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,Transporter,"Transcription factor","Epigenetic regulator","Membrane receptor",Kinase,Oxidoreductase,"Primary active transporter","Nuclear receptor",Reader,"Family A G
 protein-coupled receptor",Protease,"Cytochrome P450","Protein Kinase","Endoplasmic reticular retrotranslocon family","Nuclear hormone receptor subfamily 1",Bromodomain,"Peptide receptor (family A GPC
R)","Metallo protease","Cytochrome P450 family 3","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","CAMK protein kinase group","STE protein kinase group","Glycohormone recept
or","Metallo protease MAE clan","Cytochrome P450 family 3A","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","CAMK protein kinase MAPKAPK family","STE protein 
kinase STE20 family","CAMK protein kinase PIM family","Metallo protease M34 family","Cytochrome P450 3A4","CMGC protein kinase ERK1","CAMK protein kinase MAPKAPK subfamily","STE protein kinase MSN sub
family"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Sphingosine 1-phosphate turnover","Eicosanoid turnover","Nuclear hormone receptors","Ceramide turnover","G protein-coupled receptors","Cytochrome P450","CMGC
: Containing CDK",MAPK,GSK3,"CLK families","Sphingosine kinase",Lipoxygenases,"1F. Retinoic acid-related orphans","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7
","Sterile 11","Sterile 20 kinases","Sphingolipid &Delta;<sup>4</sup>-desaturase","Glycoprotein hormone receptors","CYP3 family","Mitogen-activated protein kinases (MAP kinases)","MAPK-Activated Prote
in Kinase (MAPKAPK) family","STE20 family","PIM family","ERK subfamily","MAPKAPK subfamily","MSN subfamily"}

> <pathway_reactome>
{"Neuronal System","Immune System","Signal Transduction",Metabolism,Disease,"Gene expression (Transcription)","Cellular responses to external stimuli","Transmission across Chemical Synapses","Innate I
mmune System","Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","Infectious disease","RNA Polymerase II Transcription","Cellular responses to stress","Neurotransmitter receptors and post
synaptic signal transmission","Toll-like Receptor Cascades","Signaling by VEGF","Sphingolipid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","SARS-CoV Infections","Generic Tra
nscription Pathway","Cellular Senescence","Leishmania infection","Uptake and actions of bacterial toxins","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR5) Cascade","
VEGFA-VEGFR2 Pathway","Sphingolipid de novo biosynthesis","Biosynthesis of DPA-derived SPMs","SARS-CoV-1 Infection","Transcriptional regulation by RUNX3","Oxidative Stress Induced Senescence","Leishma
nia parasite growth and survival","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPMs","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","VEGFR2
 mediated cell proliferation","Biosynthesis of DPAn-3 SPMs","Attachment and Entry","RUNX3 Regulates Immune Response and Cell Migration","Anti-inflammatory response favouring Leishmania parasite infect
ion","Biosynthesis of maresins","Activation of AMPK downstream of NMDARs","MAP kinase activation","Biosynthesis of DPAn-3-derived 13-series resolvins","Biosynthesis of DPAn-3-derived protectins and re
solvins","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","CREB phosphorylation",
"ERKs are inactivated"}

> <broad_targets>
{SPHK1}

> <broad_moa>
{"sphingosine kinase inhibitor"}

> <synonyms>
{"Sphingosine Kinase Inhibitor",1177741-83-1,1177741831,"SKI-II HCl","SKIII HCl","2-(4-Hydroxyanilino)-4-(4-chlorophenyl)thiazole hydrochloride","2(4Hydroxyanilino)4(4chlorophenyl)thiazole hydrochlori
de","4-((4-(4-chlorophenyl)-1,3-thiazol-2-yl)amino)phenol;hydrochloride","4((4(4chlorophenyl)1,3thiazol2yl)amino)phenol;hydrochloride","SK Inhibitor","SKI-II Hydrochlori","SKIII Hydrochlori",T6673,"EM
D 567731","SKI II",567731}

> <pdid>
PD003500

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{16760659}

$$$$
Broad_2021
  SciTegic11012413022D

 49 55  0  0  1  0            999 V2000
    8.8145   -2.9122    0.0000 C   0  0
    7.3222   -3.0635    0.0000 C   0  0
    6.4437   -1.8466    0.0000 C   0  0
    7.0583   -0.4784    0.0000 C   0  0
    4.9531   -1.9978    0.0000 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 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2566    0.5871    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5002    3.7446    0.0000 C   0  0
   -6.5050    5.2446    0.0000 C   0  0
   -7.8065    5.9905    0.0000 C   0  0
   -9.1031    5.2364    0.0000 C   0  0
  -10.4068    5.9800    0.0000 O   0  0
  -11.7031    5.2236    0.0000 C   0  0
  -13.0067    5.9672    0.0000 C   0  0  1  0  0  0
  -14.3561    5.3419    0.0000 C   0  0
  -15.3634    6.4534    0.0000 O   0  0
  -14.6175    7.7548    0.0000 C   0  0  1  0  0  0
  -16.0996    7.8819    0.0000 C   0  0
  -16.9783    6.6652    0.0000 N   0  0
  -18.4648    6.6588    0.0000 C   0  0
  -18.9050    5.2249    0.0000 N   0  0
  -17.6773    4.3631    0.0000 C   0  0
  -16.4783    5.2644    0.0000 N   0  0
  -13.1493    7.4476    0.0000 O   0  0
  -13.7278    8.9473    0.0000 C   0  0
  -12.2381    8.7717    0.0000 C   0  0
  -11.3411    9.9739    0.0000 C   0  0
  -11.9338   11.3519    0.0000 C   0  0
  -11.0369   12.5541    0.0000 Cl  0  0
  -13.4235   11.5275    0.0000 C   0  0
  -14.3205   10.3253    0.0000 C   0  0
  -15.8102   10.5009    0.0000 Cl  0  0
   -9.0983    3.7364    0.0000 C   0  0
   -7.7969    2.9905    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9  5  1  0
  9 10  2  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
 17 18  1  0
 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  1  0
 29 28  1  1
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  1
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 34  1  0
 32 39  1  0
 39 29  1  0
 32 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 43 45  1  0
 45 46  2  0
 46 40  1  0
 46 47  1  0
 26 48  1  0
 48 49  2  0
 49 23  1  0
M  END
> <name>
Broad_2021

> <id>
33632

> <plate>
Plate_1

> <well>
D09

> <supplier_cmpd_name>
Itraconazole

> <ctcr_id>
7508

> <supplier_cmpd_id>
Itraconazole

> <smiles>
CCC(C)N1N=CN(C1=O)c2ccc(cc2)N3CCN(CC3)c4ccc(OC[C@H]5CO[C@@](Cn6cncn6)(O5)c7ccc(Cl)cc7Cl)cc4

> <pd_targets>
{MAPK1,LMNA,MAPT,CYP3A4,CYP8B1,HIF1A,ABCB1,KMT2A,MEN1,CYP51B,ABCB11,AVPR2,ABCB1A,ABCB1B,CCR4,CXCR1,FYN,CYP51A1,ERG11}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Other cytosolic protein","Transcription factor",Transporter,"Epigenetic regulator","Membrane receptor",Kinase,"Cytochrome P450",Oxidoreductase,"Primary active transpor
ter",Protease,Reader,"Family A G protein-coupled receptor","Protein Kinase","Cytochrome P450 family 3","ATP-binding cassette","Cysteine protease",Bromodomain,"Cytochrome P450 family 51","Peptide recep
tor (family A GPCR)","CMGC protein kinase group","Cytochrome P450 family 3A","ABCB subfamily","Cysteine protease CA clan","Cytochrome P450 family 51A","Short peptide receptor (family A GPCR)","Chemoki
ne receptor","TK protein kinase group","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Cysteine protease C1A family","Cytochrome P450 51A1","Vasopressin and oxytocin receptor","CC chemokine r
eceptor","CXC chemokine receptor","Tyrosine protein kinase Src family","CMGC protein kinase ERK1","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Kinases (EC 2.7.x.x)","Cytochrome P450","ATP-binding cassette transporter family","G protein-coupled receptors","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,
"CLK families","CYP3 family",CYP5,"CYP7 and CYP8 families","ABCB subfamily","Vasopressin and oxytocin receptors","Chemokine receptors","Receptor kinases",CYP39,"CYP46 and CYP51 families","Mitogen-acti
vated protein kinases (MAP kinases)","TK: Tyrosine kinase","ERK subfamily","Non-receptor tyrosine kinases (nRTKs)","Src family"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Neuronal System",Metabolism,"Cellular responses to external stimuli",Disease,"Signal Transduction","Innate Immune System",Mitotic,"Transmission across Chemical Synapses"
,"Metabolism of lipids","Biological oxidations","Cellular responses to stress","Abacavir transport and metabolism","Infectious disease","Signaling by GPCR","Toll-like Receptor Cascades","M Phase","Neu
rotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Cellular response to hypoxia","Aba
cavir transmembrane transport","Metabolism of steroids","Leishmania infection","GPCR ligand binding","HIV Infection","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Metaphase and Anaphase","Activation 
of NMDA receptors and postsynaptic events","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha",
"Bile acid and bile salt metabolism","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Host Interactions of HIV factors","MyD88 cascade initiated on plasma membrane","M
itotic Anaphase","Post NMDA receptor activation events","Biosynthesis of maresins","Endogenous sterols","Synthesis of bile acids and bile salts","Anti-inflammatory response favouring Leishmania parasi
te infection","Peptide ligand-binding receptors","The role of Nef in HIV-1 replication and disease pathogenesis","MAP kinase activation","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstre
am of NMDARs","Biosynthesis of maresin-like SPMs","Sterols are 12-hydroxylated by CYP8B1","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","ADORA2B mediated anti-inflammatory cyt
okines production","Chemokine receptors bind chemokines","Nef and signal transduction","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAP
K targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"cytochrome P450 inhibitor"}

> <synonyms>
{itraconazole,Oriconazole,84625-61-6,84625616,Sporanox,"Itrizole (TN)","Sporanox (TN)",ITCZ,"Itraconazole (Sporanox)","Itraconazol (Spanish)","Itraconazolum (Latin)",CHEMBL22587,C35H38Cl2N8O4,cis-Itra
conazole,cisItraconazole,CHEBI:6076,ITZ,DSSTox_CID_3180,DSSToxCID3180,DSSTox-CID-3180,"DSSTox CID 3180",DSSTox_RID_76908,DSSToxRID76908,DSSTox-RID-76908,"DSSTox RID 76908",DS,S2476,Itraconazole}

> <pdid>
PD002960

> <targets>
{Others,Antibiotic,Autophagy,Cytochrome P450,Fungal,Hedgehog}

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

> <pubchem_cids>
{55283}

$$$$
Broad_2021
  SciTegic11012413022D

 25 25  0  0  0  0            999 V2000
    7.5987    0.7186    0.0000 H   0  3
    5.0987    0.7186    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    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
   -3.8939   -0.7546    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 N   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -7.8010    1.4796    0.0000 C   0  0
   -9.0971    0.7229    0.0000 C   0  0
  -10.4014    1.4638    0.0000 C   0  0
  -11.6952    0.7049    0.0000 C   0  0
  -11.6848   -0.7951    0.0000 C   0  0
  -12.9786   -1.5541    0.0000 C   0  0
  -10.3806   -1.5361    0.0000 C   0  0
   -9.0868   -0.7771    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -5.2060    2.9909    0.0000 O   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
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
 15 24  1  0
 24 11  1  0
 24 25  2  0
M  CHG  2   1   1   2  -1
M  END
> <name>
Broad_2021

> <id>
33633

> <plate>
Plate_1

> <well>
E09

> <supplier_cmpd_name>
NSC 632839 hydrochloride

> <ctcr_id>
628

> <supplier_cmpd_id>
NSC 632839 hydrochloride

> <smiles>
[H+].[Cl-].Cc1ccc(cc1)\C=C2/CNC\C(=C/c3ccc(C)cc3)C2=O

> <pd_targets>
{RORC,KMT2A,MEN1,FTL}

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

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

> <pathway_reactome>
{"Gene expression (Transcription)","Vesicle-mediated transport","RNA Polymerase II Transcription","Membrane Trafficking","Generic Transcription Pathway","trans-Golgi Network Vesicle Budding","Transcri
ptional regulation by RUNX3","Golgi Associated Vesicle Biogenesis","RUNX3 Regulates Immune Response and Cell Migration"}

> <broad_targets>
{SENP2,USP1,USP2,USP7}

> <broad_moa>
{"ubiquitin specific protease inhibitor"}

> <synonyms>
{NSC632839,157654-67-6,"NSC 632839 hydrochloride",NSC-632839,"Nsc 632839","NSC-632839 hydrochloride","3,5-BIS((4-METHYLPHENYL)METHYLENE)-4-PIPERIDONE HYDROCHLORIDE","157654-67-6 (HCl)",MLS002701647,C2
1H21NO.ClH,"(3E,5E)-3,5-bis((4-methylphenyl)methylidene)piperidin-4-one;hydrochloride",CHEMBL1990474,DTXSID10417701,AMY19345,BCP28077,EX-A4187,2599AH,s4922,AKOS024457219,CS-6014,BS-15510,HY-100708,"NS
C 632839, >=98 (HPLC)",J-009433,"3,5-bis((E)-4-methylbenzylidene)piperidin-4-one hydrochloride","4-Piperidione,3,5-bis((4-methylphenyl)methylene) hydrochloride","4-Piperidinone,5-bis((4-methylphenyl)m
ethylene)-, hydrochloride","4-Piperidinone, 3,5-bis((4-methylphenyl)methylene)-, hydrochloride (1:1)",2647,"NSC 632839","4-Piperidinone, 3,5-bis((4-methylphenyl)methylene)-, hydrochloride"}

> <pdid>
PD003340

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5351362}

$$$$
Broad_2021
  SciTegic11012413022D

 41 45  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.9099   -8.2497    0.0000 C   0  0
   -3.9099   -9.7497    0.0000 C   0  0
   -2.6109  -10.4997    0.0000 C   0  0
   -1.3119   -9.7497    0.0000 C   0  0
   -1.3118   -8.2497    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2997    3.7504    0.0000 N   0  0
    1.3021    5.2504    0.0000 C   0  0
    2.6024    5.9984    0.0000 C   0  0
    3.9002    5.2463    0.0000 N   0  0
    3.8978    3.7463    0.0000 C   0  0
    2.5976    2.9984    0.0000 C   0  0
    5.2027    5.9920    0.0000 C   0  0
    5.2077    7.4920    0.0000 O   0  0
    6.5002    5.2377    0.0000 N   0  0
    7.8027    5.9834    0.0000 C   0  0
    9.1006    5.2313    0.0000 C   0  0
   10.4008    5.9793    0.0000 C   0  0
   10.4032    7.4793    0.0000 C   0  0
   11.7026    8.2303    0.0000 O   0  0
   11.7029    9.7311    0.0000 C   0  0
   13.0016   10.4817    0.0000 C   0  0
   10.4038   10.4809    0.0000 C   0  0
    9.1054    8.2313    0.0000 C   0  0
    7.8051    7.4834    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
  6 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  5  1  0
 22 23  1  0
 23 24  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  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 35 40  1  0
 40 41  2  0
 41 32  1  0
M  END
> <name>
Broad_2021

> <id>
33634

> <plate>
Plate_1

> <well>
F09

> <supplier_cmpd_name>
Tandutinib

> <ctcr_id>
4148

> <supplier_cmpd_id>
Tandutinib

> <smiles>
COc1cc2c(cc1OCCCN3CCCCC3)ncnc2N4CCN(CC4)C(=O)Nc5ccc(OC(C)C)cc5

> <pd_targets>
{EGFR,CDK16,CLK1,NTRK1,PDGFRA,AURKC,PDGFRB,KIT,FLT3,ACVR1,STK10,HIPK4,PLK4,SRC,IRAK1,EPHB6,IRAK3,GAK,CDK7,KDR,SLK,CLK3,MERTK,MAP4K5,FLT4,FLT1,DDR1,AURKB,NTRK2,NTRK3,CLK4,CSF1R,LCK,DDR2,MAP2K5,CDKL2,AX
L,FGFR1,FGFR2,FGFR3,FGFR4,CLK2,MAP3K19,ITK,PDGFD}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","TK protein kinase group","CMGC protein kinase group","Other protein kinase group","TKL protein kinase group","STE protein kinase group","Tyrosin
e protein kinase EGFR family","CMGC protein kinase CDK family","CMGC protein kinase CLK family","Tyrosine protein kinase Trk family","Tyrosine protein kinase PDGFR family","Other protein kinase AUR fa
mily","TKL protein kinase STKR family","STE protein kinase STE20 family","CMGC protein kinase DYRK family","Other protein kinase PLK family","Tyrosine protein kinase Src family","TKL protein kinase IR
AK family","Other protein kinase NAK family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Axl family","Tyrosine protein kinase DDR family","STE protein kinase STE7 family","CMGC pro
tein kinase CDKL family","Tyrosine protein kinase FGFR family","STE protein kinase STE11 family","Tyrosine protein kinase Tec family","CMGC protein kinase TAIRE subfamily","TKL protein kinase STKR1","
STE protein kinase SLK subfamily","CMGC protein kinase HIPK subfamily","CMGC protein kinase CDK7 subfamily","STE protein kinase KHS subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",
"TK: Tyrosine kinase","Cyclin-dependent kinase (CDK) family","CLK family","Other protein kinases","TKL: Tyrosine kinase-like","STE20 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated ki
nase (DYRK) family","STE7 family","Cyclin-dependent kinase-like (CDKL) family","Receptor tyrosine kinases (RTKs)","TAIRE subfamily","Aurora kinase (Aur) family","Receptor serine/threonine kinase (RSTK
) family","SLK subfamily","HIPK subfamily","Polo-like kinase (PLK) family","Non-receptor tyrosine kinases (nRTKs)","Interleukin-1 receptor-associated kinase (IRAK) family","Numb-associated kinase (NAK
) family","CDK7 subfamily","KHS subfamily","STE20 subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type III RTKs: PDGFR",CSFR
,Kit,"FLT3 receptor family","Type I receptor serine/threonine kinases","Src family","Type XIII RTKs: Ephrin receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","
Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XVI RTKs: DDR (collagen receptor) family","Tec family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Immune System","Cell Cycle","Developmental Biology","Vesicle-mediated transport",Hemostasis,"Extracellular matrix organization","Gene expression (Transcription)","Signa
ling by GPCR","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Intracellular signaling by second messengers","Innate Immune 
System",Mitotic,"Nervous system development","Membrane Trafficking","Infectious disease","Cell surface interactions at the vascular wall","Non-integrin membrane-ECM interactions","RNA Polymerase II Tr
anscription","Adaptive Immune System","GPCR downstream signalling","Signaling by NTRKs","Signaling by PDGFR in disease","PIP3 activates AKT signaling","Signaling by KIT in disease","Signaling by Insul
in receptor","Neutrophil degranulation","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","Axon guidance","trans-Golgi Network Vesicle Budding","HIV Infection","Signaling by VEGF","M Phase","Gene
ric Transcription Pathway","TCR signaling","Signaling by PDGF","G alpha (q) signalling events","Signaling by NTRK1 (TRKA)","Drug resistance of PDGFR mutants","Negative regulation of the PI3K/AKT netwo
rk","Drug resistance of KIT mutants","Insulin receptor signalling cascade","G2/M Transition","Toll Like Receptor 5 (TLR5) Cascade","EPH-Ephrin signaling","Toll Like Receptor 2 (TLR2) Cascade","Golgi A
ssociated Vesicle Biogenesis","HIV Life Cycle","VEGFA-VEGFR2 Pathway","VEGF ligand-receptor interactions","Mitotic Metaphase and Anaphase","Signaling by NTRK3 (TRKC)","Transcriptional Regulation by VE
NTX","Host Interactions of HIV factors","Generation of second messenger molecules","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","Imatinib-resistant PDGFR mutants",PI5P,"PP2A
 and IER3 Regulate PI3K/AKT Signaling","Dasatinib-resistant KIT mutants","IRS-mediated signalling","Centrosome maturation","MyD88 cascade initiated on plasma membrane","EPHB-mediated forward signaling
","Toll Like Receptor TLR6:TLR2 Cascade","Late Phase of HIV Life Cycle","VEGFR2 mediated cell proliferation","VEGF binds to VEGFR leading to receptor dimerization","Mitotic Anaphase","Activation of TR
KA receptors","Activated NTRK3 signals through PI3K","The role of Nef in HIV-1 replication and disease pathogenesis","Signalling to ERK5","EGFR Transactivation by Gastrin","Prolonged ERK activation ev
ents","PI3K Cascade","Loss of proteins required for interphase microtubule organization from the centrosome","Signalling to RAS","MAP kinase activation","MyD88:MAL(TIRAP) cascade initiated on plasma m
embrane","Transcription of the HIV genome","Separation of Sister Chromatids","NGF-independant TRKA activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin ad
apters","ARMS-mediated activation","Loss of Nlp from mitotic centrosomes","p38MAPK events","activated TAK1 mediates p38 MAPK activation","HIV Transcription Elongation","Nef Mediated CD4 Down-regulatio
n","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{CSF1R,FLT3,KIT,PDGFD,PDGFRB}

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

> <synonyms>
{Tandutinib,387867-13-2,387867132,MLN-518,MLN518,CT53518,"Tandutinib (MLN518)","MLN 518","CT 53518",UNII-E1IO3ICJ9A,UNIIE1IO3ICJ9A,CT-53518,E1IO3ICJ9A,CHEMBL124660,CHEBI:90237,MLN-0518,MLN0518,MFCD099
54147,NCGC00241097-01,NCGC0024109701,D06005,DSSTox_CID_28873,DSSToxCID28873,DSSTox-CID-28873,"DSSTox CID 28873",DSSTox_RID_83142,DSSToxRID83142,DSSTox-RID-83142,"DSSTox RID 83142",DSST,T1667,S1043,tan
dutinib,TANDUTINIB}

> <pdid>
PD003630

> <targets>
{FLT-3,KIT,PDGFR,FLT3,Apoptosis,c-Kit}

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

> <pubchem_cids>
{3038522}

$$$$
Broad_2021
  SciTegic11012413022D

 24 27  0  0  1  0            999 V2000
    1.4851   -1.5024    0.0000 C   0  0
    2.1092   -0.1384    0.0000 O   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  0  0  0
    3.1905   -2.6376    0.0000 C   0  0
    4.6589   -2.9478    0.0000 O   0  0
    5.1253   -4.3743    0.0000 C   0  0
    4.1234   -5.4906    0.0000 N   0  0
    6.5929   -4.6843    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 N   0  0
    3.6281    2.3993    0.0000 C   0  0
    5.0501    1.9218    0.0000 C   0  0
    6.3350    1.1594    0.0000 N   0  0
    5.0354    0.4219    0.0000 C   0  0  1  0  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 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  4 10  1  0
 10 11  2  3
 11 12  1  0
 12  3  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 16 15  1  1
 16  3  1  0
 16 14  1  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 20 22  1  0
 22 10  1  0
 22 23  2  0
 19 24  1  0
M  END
> <name>
Broad_2021

> <id>
33635

> <plate>
Plate_1

> <well>
G09

> <supplier_cmpd_name>
Mitomycin C

> <ctcr_id>
1138

> <supplier_cmpd_id>
Mitomycin C

> <smiles>
CO[C@]12[C@@H](COC(N)=O)C3=C(N1CC4N[C@@H]24)C(=O)C(=C(N)C3=O)C

> <pd_targets>
{IDO1}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{Enzymes,"1.13.11.- Dioxygenases"}

> <pathway_reactome>
{Metabolism,"Metabolism of amino acids and derivatives","Tryptophan catabolism"}

> <broad_targets>
{}

> <broad_moa>
{"DNA alkylating agent","DNA synthesis inhibitor"}

> <synonyms>
{LSM-1590,LSM1590,SR-05000001845,SR05000001845,Spectrum2_000920,Spectrum2000920,Spectrum2-000920,"Spectrum2 000920",Spectrum3_001792,Spectrum3001792,Spectrum3-001792,"Spectrum3 001792",Spectrum4_00092
9,Spectrum4000929,Spectrum4-000929,"Spectrum4 000929",Spectrum5_001888,Spectrum5001888,Spectrum5-001888,"Spectrum5 001888",BSPBio_003343,BSPBio003343,BSPBio-003343,"BSPBio 003343",KBioGR_001458,KBioGR
001458,KBioGR-001458,"KBioGR 001458",SPECTRUM330002,DivK1c_001034,DivK1c001034,DivK1c-001034,"DivK1c 001034",SPBio_000800,SPBio000800,SPBio-000800,"SPBio 000800",CHEBI:91730,HMS503O09,KBio1_001034,KBi
o1001034,KBio1-001034,"KBio1 001034",KBio3_002845,KBio3002845,KBio3-002845,"KBio3 002845",NINDS_001034,NINDS001034,NINDS-001034,"NINDS 001034",HMS1923I11,HMS2091C19,330002,"MITOMYCIN C"}

> <pdid>
PD001946

> <targets>
{}

> <classes>
{antineoplastic}

> <pubchem_cids>
{5702003}

$$$$
Broad_2021
  SciTegic11012413022D

 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
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.5205    6.1100    0.0000 S   0  0
    2.0570    7.5366    0.0000 C   0  0
    0.5570    7.5366    0.0000 C   0  0
   -0.3247    8.7502    0.0000 Br  0  0
    0.0934    6.1100    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12  7  2  0
  4 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 13  1  0
 17 18  2  0
 18  2  1  0
M  END
> <name>
Broad_2021

> <id>
33636

> <plate>
Plate_1

> <well>
H09

> <supplier_cmpd_name>
Lomeguatrib

> <ctcr_id>
5127

> <supplier_cmpd_id>
Lomeguatrib

> <smiles>
Nc1nc(OCc2scc(Br)c2)c3[nH]cnc3n1

> <pd_targets>
{MGMT}

> <pathway_gtopdb>
{Enzyme}

> <pathway_chembl>
{}

> <pathway_reactome>
{"DNA Repair","DNA Damage Reversal","MGMT-mediated DNA damage reversal"}

> <broad_targets>
{MGMT}

> <broad_moa>
{"O6-alkylguanine-DNA alkyltransferase inhibitor"}

> <synonyms>
{ATRIN,Lomeguatrib,192441-08-0,192441080,PaTrin-2,PaTrin2,"PaTrin 2",Lomeguaritrib,6-((4-bromothiophen-2-yl)methoxy)-7H-purin-2-amine,6((4bromothiophen2yl)methoxy)7Hpurin2amine,UNII-S79265T71M,UNIIS79
265T71M,CHEMBL339133,2-Amino-6-((4-bromo-2-thienyl)methoxy)-9H-purine,2Amino6((4bromo2thienyl)methoxy)9Hpurine,"1H-Purin-2-amine, 6-((4-bromo-2-thienyl)methoxy)-","1HPurin2amine, 6((4bromo2thienyl)met
hoxy)",6-((4-b,6((4b,T2495,4359,S8056}

> <pdid>
PD003478

> <targets>
{DNA Methyltransferase}

> <classes>
{Epigenetics}

> <pubchem_cids>
{3025944}

$$$$
Broad_2021
  SciTegic11012413022D

 22 25  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 N   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
   -1.2991    5.2500    0.0000 C   0  0
   -2.5981    6.0000    0.0000 O   0  0
    0.0000    6.0000    0.0000 C   0  0
    0.3114    7.4665    0.0000 O   0  0
    1.8032    7.6233    0.0000 C   0  0
    2.4133    6.2530    0.0000 O   0  0
    1.2990    5.2500    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0000    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  6
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 12  2  0
 16 17  1  0
 17 18  2  0
 18  4  1  0
 18  9  1  0
  5 19  1  0
 19 20  1  1
 19 21  1  0
 21  2  1  0
 21 22  1  1
M  END
> <name>
Broad_2021

> <id>
33637

> <plate>
Plate_1

> <well>
I09

> <supplier_cmpd_name>
Narciclasine

> <ctcr_id>
2011

> <supplier_cmpd_id>
Narciclasine

> <smiles>
O[C@H]1C=C2[C@@H](NC(=O)c3c(O)c4OCOc4cc23)[C@H](O)[C@@H]1O

> <pd_targets>
{CYP3A4,SKN-1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Cytochrome P450","Cytochrome P450 family 3","Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biosynthesis of specialized proresolving mediators (SPMs)","Biosynthesis of DHA-derived SPMs","Biosynthesis of maresins","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Narciclasine,Lycoricidinol,29477-83-6,29477836,Lycoricidin-A,LycoricidinA,Narciclasina,"NSC 266535","BRN 1087400",Lycorcidinol,Nacriclasine,NSC266535,C14H13NO7,CHEMBL98745,CHEBI:70169,MFCD01729949,ML
S002703039,SCHEMBL625165,cid_619061,cid619061,cid-619061,"cid 619061",DTXSID70183677,20361,narciclasine}

> <pdid>
PD003555

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{72376}

$$$$
Broad_2021
  SciTegic11012413022D

 36 39  0  0  0  0            999 V2000
    3.8794    3.7535    0.0000 C   0  0
    5.1821    3.0099    0.0000 O   0  0
    5.1903    1.5091    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8994   -3.7478    0.0000 O   0  0
   -5.1981   -2.9955    0.0000 C   0  0
   -6.4993   -3.7433    0.0000 C   0  0
   -7.7980   -2.9910    0.0000 C   0  0
   -9.0993   -3.7387    0.0000 N   0  0
  -10.3984   -2.9888    0.0000 C   0  0
  -11.6975   -3.7388    0.0000 C   0  0
  -11.6975   -5.2388    0.0000 N   0  0
  -12.9965   -5.9887    0.0000 C   0  0
  -10.3985   -5.9888    0.0000 C   0  0
   -9.0994   -5.2388    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 O   0  0
    0.0042   -5.9990    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5988    1.5004    0.0000 C   0  0
    3.8978    2.2504    0.0000 N   0  0
    5.2007   -1.4909    0.0000 C   0  0
    5.2059   -2.9909    0.0000 Cl  0  0
    6.4972   -0.7364    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    7.7884    1.5180    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 18  1  0
 13 25  2  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  2  0
 29  7  1  0
 29 11  1  0
  8 30  1  0
 30 31  3  0
  5 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  2  0
 35  3  1  0
 35 36  1  0
M  END
> <name>
Broad_2021

> <id>
33638

> <plate>
Plate_1

> <well>
J09

> <supplier_cmpd_name>
Bosutinib

> <ctcr_id>
570

> <supplier_cmpd_id>
Bosutinib

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

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

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

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

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

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

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

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

> <pdid>
PD004099

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

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

> <pubchem_cids>
{5328940}

$$$$
Broad_2021
  SciTegic11012413022D

 30 33  0  0  0  0            999 V2000
    6.4903   -8.2457    0.0000 C   0  0
    5.1926   -7.4935    0.0000 C   0  0
    5.1956   -5.9927    0.0000 C   0  0
    3.8979   -5.2404    0.0000 O   0  0
    6.4964   -5.2441    0.0000 N   0  0
    6.4995   -3.7432    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    3.8918   -8.2421    0.0000 C   0  0
    3.8865   -9.7421    0.0000 C   0  0
    2.5849  -10.4876    0.0000 C   0  0
    1.2885   -9.7332    0.0000 C   0  0
    1.2936   -8.2332    0.0000 C   0  0
    2.5952   -7.4877    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  3
 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 13  1  0
 23 18  1  0
 10 24  2  0
 24  6  1  0
  2 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
M  END
> <name>
Broad_2021

> <id>
33639

> <plate>
Plate_1

> <well>
K09

> <supplier_cmpd_name>
Salermide

> <ctcr_id>
8256

> <supplier_cmpd_id>
Salermide

> <smiles>
CC(C(=O)Nc1cccc(N\C=C\2/C(=O)C=Cc3ccccc23)c1)c4ccccc4

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1105698154,1105698_15_4,"1105698 15 4",CHEMBL597845,N-(3-((2-oxo-1-naphthalenylidene)methylamino)phenyl)-2-phenylpropanamide,N(3((2oxo1naphthalenylidene)methylamino)phenyl)2phenylpropanamide,N_(3_((2
_oxo_1_naphthalenylidene)methylamino)phenyl)_2_phenylpropanamide,"N (3 ((2 oxo 1 naphthalenylidene)methylamino)phenyl) 2 phenylpropanamide",Salemide,SCHEMBL8103931,"Salermide, >=98 (HPLC)",SCHEMBL1644
5054,CHEBI:94426,AOB5646,DTXSID70693943,HMS3648G04,BCP19469,EX-A1238,EXA1238,EX_A1238,"EX A1238",2029AH,BDBM5030,13178,salermide}

> <pdid>
PD065022

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{135659046}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33640

> <plate>
Plate_1

> <well>
L09

> <supplier_cmpd_name>
Spautin-1

> <ctcr_id>
8352

> <supplier_cmpd_id>
Spautin-1

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 17 20  0  0  0  0            999 V2000
    3.8805   -1.4410    0.0000 O   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.5701   -4.1788    0.0000 N   0  0
    0.0400   -5.5491    0.0000 C   0  0
   -0.5700   -6.9186    0.0000 N   0  0
    0.5447   -7.9223    0.0000 O   0  0
    1.8438   -7.1723    0.0000 N   0  0
    1.5318   -5.7059    0.0000 C   0  0
    2.4135   -4.4923    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 11  1  0
 15 16  1  0
 16 17  2  0
 17  2  1  0
 17  9  1  0
M  END
> <name>
Broad_2021

> <id>
33641

> <plate>
Plate_1

> <well>
M09

> <supplier_cmpd_name>
SMER 3

> <ctcr_id>
7450

> <supplier_cmpd_id>
SMER 3

> <smiles>
O=C1c2ccccc2c3nc4nonc4nc13

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{67200-34-4,67200344,"SMER 3",SMER3,"9H-Indeno(1,2-e)(1,2,5)oxadiazolo(3,4-b)pyrazin-9-one","9HIndeno(1,2e)(1,2,5)oxadiazolo(3,4b)pyrazin9one","9H-Indeno(1,2-b)(1,2,5)oxadiazolo(3,4-E)pyrazin-9-one","
9HIndeno(1,2b)(1,2,5)oxadiazolo(3,4E)pyrazin9one",SMER-3,C11H4N4O2,LSM-42773,LSM42773,"9H-Indeno-(1,2-e)-(1,2,5)-oxadiazolo-(3,4-b)-pyrazin-9-one",indeno(2,3-b)1,3b)1,2,5-oxa,5oxa,4375,S4925}

> <pdid>
PD003615

> <targets>
{"E3 Ligase"}

> <classes>
{}

> <pubchem_cids>
{568763}

$$$$
Broad_2021
  SciTegic11012413022D

 35 40  0  0  0  0            999 V2000
    7.3352    6.5059    0.0000 C   0  0
    8.0901    5.2097    0.0000 S   0  0
    9.5901    5.2159    0.0000 O   0  0
    8.8349    6.5117    0.0000 O   0  0
    7.3442    3.9074    0.0000 N   0  0
    8.0987    2.6109    0.0000 C   0  0
    7.3533    1.3093    0.0000 C   0  0
    5.8532    1.3040    0.0000 N   0  0
    5.0987    2.6005    0.0000 C   0  0
    5.8442    3.9021    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 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 N   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 O   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -3.5923    5.2153    0.0000 N   0  0
   -2.1008    5.3745    0.0000 N   0  0
   -1.4885    4.0052    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 12  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 14  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
 18 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 35 27  1  0
 35 31  1  0
M  END
> <name>
Broad_2021

> <id>
33642

> <plate>
Plate_1

> <well>
N09

> <supplier_cmpd_name>
Pictilisib

> <ctcr_id>
5543

> <supplier_cmpd_id>
Pictilisib

> <smiles>
C[S](=O)(=O)N1CCN(CC1)Cc2sc3c(c2)nc(nc3N4CCOCC4)c5cccc6n[nH]cc56

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{957054-30-7,957054307,GDC-0941,GDC0941,PICTILISIB,Pictrelisib,"GDC 0941",UNII-ICY00EMP8P,UNIIICY00EMP8P,"Pictilisib (GDC-0941)","Pictilisib (GDC0941)",ICY00EMP8P,"GDC-0941 (Pictilisib)","GDC0941 (Pic
tilisib)",CHEBI:65326,"957054-30-7 (free base)","957054307 (free base)",C23H27N7O3S2,GD9,957054-50-1,957054501,"Pictilisib (USAN:INN)","Pictilisib (US",S1065}

> <pdid>

> <targets>
{PI3K,"PI3K CLASS I"}

> <classes>
{}

> <pubchem_cids>
{17755052}

$$$$
Broad_2021
  SciTegic11012413022D

 21 21  0  0  1  0            999 V2000
   11.5837   -5.2594    0.0000 Na  0  3
    7.7790  -12.0185    0.0000 O   0  5
    7.7821  -10.5185    0.0000 C   0  0
    9.0829   -9.7716    0.0000 O   0  0
    6.4833   -9.7656    0.0000 C   0  0  1  0  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 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.0988   -9.6968    0.0000 C   0  0
    5.8467  -10.9971    0.0000 O   0  0
  2  3  1  0
  3  4  2  0
  3  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
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
  5 20  1  0
 20 21  1  0
 21  5  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
Broad_2021

> <id>
33643

> <plate>
Plate_1

> <well>
O09

> <supplier_cmpd_name>
(R)-(+)-Etomoxir sodium salt

> <ctcr_id>
8245

> <supplier_cmpd_id>
(R)-(+)-Etomoxir sodium salt

> <smiles>
[Na+].[O-]C(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{2893441,"28934 41",828934-41-4,828934414,"828934 41 4","(R)-(+)-Etomoxir sodium salt","(R)(+)Etomoxir sodium salt","(R) (+) Etomoxir sodium salt","Etomoxir sodium salt","Etomoxir sodium","ANTI-EAPII 
(TTRAP)","ANTIEAPII (TTRAP)","ANTI EAPII (TT",T4535,11969,"(R)-Etomoxir sodium salt",(+)-Etomoxir(sodiumsalt)}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{57345784}

$$$$
Broad_2021
  SciTegic11012413022D

 28 32  0  0  0  0            999 V2000
    1.4103   -7.9408    0.0000 C   0  0
    0.9937   -6.4998    0.0000 C   0  0
   -0.4625   -6.1401    0.0000 C   0  0
   -0.8791   -4.6991    0.0000 C   0  0
    0.1606   -3.6178    0.0000 C   0  0
    1.6115   -3.9772    0.0000 C   0  0
    2.0333   -5.4186    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    4.9531   -1.9978    0.0000 N   0  0
    6.3228   -1.3913    0.0000 C   0  0
    6.1683    0.1008    0.0000 C   0  0
    4.7016    0.4150    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    3.8994    3.7477    0.0000 C   0  0
    3.9020    5.2477    0.0000 N   0  0
    5.1973    2.9959    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 10  1  0
 14 15  2  0
 15  8  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 16  1  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 26 28  2  0
M  END
> <name>
Broad_2021

> <id>
33644

> <plate>
Plate_1

> <well>
P09

> <supplier_cmpd_name>
Galunisertib

> <ctcr_id>
1906

> <supplier_cmpd_id>
Galunisertib

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

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

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

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

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

> <broad_targets>
{TGFBR1}

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

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

> <pdid>
PD003327

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

> <classes>
{TGF-beta/Smad}

> <pubchem_cids>
{10090485}

$$$$
Broad_2021
  SciTegic11012413022D

 31 33  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 S   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3015   -2.2494    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0095   -6.0029    0.0000 C   0  0
   -0.0126   -7.5029    0.0000 C   0  0
   -1.3132   -8.2502    0.0000 C   0  0
   -1.3193   -9.7510    0.0000 N   0  0
   -2.6217  -10.4969    0.0000 C   0  0
   -3.9179   -9.7420    0.0000 O   0  0
   -2.6279  -11.9977    0.0000 C   0  0
   -3.9302  -12.7436    0.0000 C   0  0
   -3.9364  -14.2444    0.0000 C   0  0
   -5.1517  -15.1017    0.0000 S   0  0
   -4.6911  -16.5293    0.0000 C   0  0
   -3.1911  -16.5324    0.0000 C   0  0
   -2.7246  -15.1068    0.0000 C   0  0
   -5.5717  -17.7414    0.0000 N   0  3
   -7.0635  -17.5842    0.0000 O   0  5
   -4.9625  -19.1121    0.0000 O   0  0
   -2.6106   -7.4975    0.0000 C   0  0
   -2.6076   -5.9975    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 22  2  0
 24 27  1  0
 27 28  1  0
 27 29  2  0
 16 30  1  0
 30 31  2  0
 31 13  1  0
M  CHG  2  27   1  28  -1
M  END
> <name>
Broad_2021

> <id>
33645

> <plate>
Plate_1

> <well>
A10

> <supplier_cmpd_name>
Necrosulfonamide

> <ctcr_id>
8265

> <supplier_cmpd_id>
Necrosulfonamide

> <smiles>
COc1nccnc1N[S](=O)(=O)c2ccc(NC(=O)/C=C/c3sc(cc3)[N+]([O-])=O)cc2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1360614-48-7,Necrosulfonamid,CHEBI:63770,(Z)-Necrosulfonamide,"Necrosulfonamide (NSA)",CHEMBL3220918,SCHEMBL17509589,SCHEMBL17509590,DTXSID00364437,BCP18373,BCP25934,ZINC1774964,MFCD02370191,s8251,ST
L429797,AKOS002349391,CCG-269351,BS-17282,Q27132789,T6904,20844,Necrosulfonamide,necrosulfonamide}

> <pdid>
PD003384

> <targets>
{Others,"Mixed Lineage Kinase"}

> <classes>
{MAPK/ERK Pathway}

> <pubchem_cids>
{1566236}

$$$$
Broad_2021
  SciTegic11012413022D

 37 41  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -7.7876   -1.5212    0.0000 C   0  0
   -9.0905   -0.7779    0.0000 O   0  0
   -7.7802   -3.0220    0.0000 N   0  0
   -9.0758   -3.7796    0.0000 C   0  0
   -9.0707   -5.2796    0.0000 C   0  0
  -10.3671   -6.0341    0.0000 C   0  0
  -11.6687   -5.2886    0.0000 C   0  0
  -12.9652   -6.0432    0.0000 C   0  0
  -11.6740   -3.7886    0.0000 C   0  0
  -12.9748   -3.0401    0.0000 N   0  0
  -12.9779   -1.5393    0.0000 C   0  0
  -14.2769   -0.7892    0.0000 N   0  0
  -14.2770    0.7108    0.0000 C   0  0
  -12.9780    1.4608    0.0000 C   0  0
  -11.6789    0.7109    0.0000 C   0  0
  -11.6789   -0.7891    0.0000 N   0  0
  -10.3792    1.4613    0.0000 C   0  0
  -10.3768    2.9613    0.0000 C   0  0
   -9.0766    3.7093    0.0000 C   0  0
   -7.7787    2.9573    0.0000 C   0  0
   -7.7811    1.4573    0.0000 N   0  0
   -9.0813    0.7093    0.0000 C   0  0
  -10.3776   -3.0341    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
 23 37  2  0
 37 18  1  0
M  END
> <name>
Broad_2021

> <id>
33646

> <plate>
Plate_1

> <well>
B10

> <supplier_cmpd_name>
Imatinib

> <ctcr_id>
1820

> <supplier_cmpd_id>
Imatinib

> <smiles>
CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3

> <pd_targets>
{S,MAPK10,FYN,CLK1,CLK4,MAPK8,PDGFRA,DDR1,BRAF,ABL1,BCR,PDGFRB,FGR,GAK,LCK,MELK,KIT,SYK,CA7,NQO2,CDK19,KARS1,KDR,LMNA,FRK,TYK2,CA12,CA2,PLK2,PLK4,CA13,CA15,IRAK1,EPHA8,CYP3A4,ABL2,MAPK9,SRC,ABCB11,STK
17A,RAF1,DDR2,TNNI3K,MAP3K20,LYN,CSF1R,EGFR,MAPK14,CA9,CA4,CA5B,PIP4K2C,BLK,CA3,CA14,ALB,ABCB1,CA6,CA1,FLT3,CA5A,HIPK4,MAPK11,MAPK12,MAPK13,REP,RORC,TAOK1,RAD52,HRH2,SLC47A2,SLC22A3,ABCG2,SLC6A4,TBXAS
1,SLC47A1,SLC22A2,HTR2A,RET,NTRK1}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Transporter,"Secreted protein","Transcription factor","Membrane receptor",Kinase,Protease,Lyase,Oxidoreductase,"Cytochrome P450","Primary active transporter",Transferas
e,"Nuclear receptor","Family A G protein-coupled receptor","Electrochemical transporter","Protein Kinase","Cysteine protease","Cytochrome P450 family 3","ATP-binding cassette","Nuclear hormone recepto
r subfamily 1","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Cytochrome P450 family 5","CMGC protein kinase group","TK protein kinase group","TKL protein kinase group
","Atypical protein kinase group","Cysteine protease CA clan","Other protein kinase group","CAMK protein kinase group","Cytochrome P450 family 3A","ABCB subfamily","Nuclear hormone receptor subfamily 
1 group F","STE protein kinase group","Monoamine receptor","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","ABCG subfamily","SLC06 
neurotransmitter transporter family","Cytochrome P450 family 5A","CMGC protein kinase MAPK family","Tyrosine protein kinase Src family","CMGC protein kinase CLK family","Tyrosine protein kinase PDGFR 
family","Tyrosine protein kinase DDR family","TKL protein kinase RAF family","Atypical protein kinase BCR family","Cysteine protease C1A family","Tyrosine protein kinase Abl family","Other protein kin
ase NAK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Syk family","CMGC protein kinase CDK family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase JakA family","O
ther protein kinase PLK family","TKL protein kinase IRAK family","Tyrosine protein kinase Eph family","Cytochrome P450 3A4","CAMK protein kinase DAPK family","TKL protein kinase MLK family","Tyrosine 
protein kinase EGFR family","CMGC protein kinase DYRK family","Nuclear hormone receptor subfamily 1 group F member 3","STE protein kinase STE20 family","Histamine receptor","Cytochrome P450 5A1","Sero
tonin receptor","Tyrosine protein kinase Trk family","CMGC protein kinase JNK subfamily","Tyrosine protein kinase SrcA","CAMK protein kinase MELK subfamily","CMGC protein kinase CDK8 subfamily","Other
 protein kinase PLK2","TKL protein kinase HH498 subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase TAO subfamily
"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,Transporters,"Anti-infective targets","Kinases (EC 2.7.x.x)","Catalytic receptors","Carbonic anhydrases","Cytochrome P450","ATP-binding cassette transporter 
family","Nuclear hormone receptors","G protein-coupled receptors","SLC superfamily of solute carriers","Viral protein targets","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","CAMK:
 Calcium/calmodulin-dependent protein kinases","CYP3 family","ABCB subfamily","Lipid modifying kinases","1F. Retinoic acid-related orphans","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 
kinases","Histamine receptors","SLC47 family of multidrug and toxin extrusion transporters","SLC22 family of organic cation and anion transporters","ABCG subfamily","SLC6 neurotransmitter transporter 
family",CYP5,"CYP7 and CYP8 families","5-Hydroxytryptamine receptors",Atypical,"Coronavirus (CoV) proteins","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","CLK family","TKL: T
yrosine kinase-like","Other protein kinases","CAMK-like (CAMKL) family","Cyclin-dependent kinase (CDK) family","Death-associated kinase (DAPK) family","Type II PIP kinases (1-phosphatidylinositol-5-ph
osphate 4-kinase family)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","STE20 family","Organic cation transporters (OCT)","Monoamine transporter subfamily","BCR famil
y","JNK subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","RAF family","Numb-associated kinase (NAK) family","MELK subfamily","CDK8 subfamily","Polo-like kinase (PL
K) family","Interleukin-1 receptor-associated kinase (IRAK) family","Mixed Lineage Kinase (MLK) family","p38 subfamily","HIPK subfamily","TAO subfamily","Src family","Type III RTKs: PDGFR",CSFR,Kit,"F
LT3 receptor family","Type XVI RTKs: DDR (collagen receptor) family","Abl family","Syk family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Janus kinase (JakA) family","T
ype XIII RTKs: Ephrin receptor family","HH498 subfamily","MLK subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family"}

> <pathway_reactome>
{Disease,"Immune System","Extracellular matrix organization","Signal Transduction","Vesicle-mediated transport",Metabolism,"Metabolism of proteins","Cell Cycle","Transport of small molecules","Develop
mental Biology","Gene expression (Transcription)","Cellular responses to external stimuli","DNA Repair","Neuronal System","Infectious disease","Innate Immune System","Diseases of signal transduction b
y growth factor receptors and second messengers","Non-integrin membrane-ECM interactions","Signaling by Receptor Tyrosine Kinases","Membrane Trafficking","Intracellular signaling by second messengers"
,"Reversible hydration of carbon dioxide","Biological oxidations","Metabolism of lipids",Translation,Mitotic,"Cytokine Signaling in Immune system","O2/CO2 exchange in erythrocytes","Nervous system dev
elopment","MAPK family signaling cascades","RNA Polymerase II Transcription","Signaling by GPCR","Cellular responses to stress","Abacavir transport and metabolism","DNA Double-Strand Break Repair","SL
C-mediated transmembrane transport","Transmission across Chemical Synapses","SARS-CoV Infections","Toll-like Receptor Cascades","HIV Infection","Signaling by PDGFR in disease","Signaling by NTRKs","Le
ishmania infection","trans-Golgi Network Vesicle Budding","Signaling by KIT in disease","PIP3 activates AKT signaling","Phase I - Functionalization of compounds","Regulation of lipid metabolism by PPA
Ralpha","tRNA Aminoacylation","Signaling by VEGF","M Phase","Interferon Signaling","Erythrocytes take up carbon dioxide and release oxygen","Mitotic G2-G2/M phases","Axon guidance","Biosynthesis of sp
ecialized proresolving mediators (SPMs)","Metabolism of steroids","MAPK1/MAPK3 signaling","Generic Transcription Pathway","GPCR downstream signalling","Cellular response to hypoxia","Abacavir transmem
brane transport","Signaling by Interleukins","Signaling by Insulin receptor","Homology Directed Repair","Transport of bile salts and organic acids","metal ions and amine compounds","Neurotransmitter c
learance","GPCR ligand binding","Signaling by FGFR in disease","SARS-CoV-1 Infection","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","Drug resistance of PDGFR mutants","Signa
ling by NTRK1 (TRKA)","Parasite infection","Leishmania parasite growth and survival","Golgi Associated Vesicle Biogenesis","Drug resistance of KIT mutants","Negative regulation of the PI3K/AKT network
","PPARA activates gene expression","Cytosolic tRNA aminoacylation","VEGFA-VEGFR2 Pathway","Mitotic Metaphase and Anaphase","PTEN Regulation","Interferon alpha/beta signaling","G2/M Transition","EPH-E
phrin signaling","Biosynthesis of DHA-derived SPMs","Signaling by ROBO receptors","Bile acid and bile salt metabolism","RAF/MAP kinase cascade","Transcriptional Regulation by VENTX","G alpha (q) signa
lling events","Regulation of gene expression by Hypoxia-inducible Factor","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX1","Interleukin-12 family signaling","Insulin receptor
 signalling cascade","Transcriptional regulation by RUNX3","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Organic cation/anion/zwitterion transport","Serotonin clearanc
e from the synaptic cleft","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Signaling by FGFR1 in disease","Translation of structural proteins","MyD88 cascade ini
tiated on plasma membrane","The role of Nef in HIV-1 replication and disease pathogenesis","Imatinib-resistant PDGFR mutants","Signalling to ERKs","Leishmania phagocytosis","Anti-inflammatory response
 favouring Leishmania parasite infection","Dasatinib-resistant KIT mutants",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","VEGFR2 mediated cell proliferation","Mitotic Anaphase","Regulation of PTEN
 stability and activity","Regulation of IFNA signaling","Centrosome maturation","EPHA-mediated growth cone collapse","Biosynthesis of maresins","Role of ABL in ROBO-SLIT signaling","Synthesis of bile 
acids and bile salts","Negative regulation of MAPK pathway","Gastrin-CREB signalling pathway via PKC and MAPK","Regulation of TP53 Activity","RUNX1 regulates transcription of genes involved in BCR sig
naling","Recycling of bile acids and salts","Interleukin-12 signaling","IRS-mediated signalling","SARS-CoV-1 Genome Replication and Transcription","RUNX3 Regulates Immune Response and Cell Migration",
"HDR through Single Strand Annealing (SSA)","Organic cation transport",Eicosanoids,"Amine ligand-binding receptors","FGFR1 mutant receptor activation","Maturation of spike protein","MAP kinase activat
ion","Nef and signal transduction","Prolonged ERK activation events","FCGR3A-mediated phagocytosis","FCGR3A-mediated IL10 synthesis","Nef-mediates down modulation of cell surface receptors by recruiti
ng them to clathrin adapters","Nuclear Envelope (NE) Reassembly","CD163 mediating an anti-inflammatory response","Loss of proteins required for interphase microtubule organization from the centrosome"
,"Biosynthesis of maresin-like SPMs","Signalling to RAS","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Negative feedback regulation of MAPK pathway","EGFR Transactivation by 
Gastrin","Regulation of TP53 Activity through Acetylation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","PI3K Cascade","Replication of the SARS-CoV-1 genome","S
eparation of Sister Chromatids","ADORA2B mediated anti-inflammatory cytokines production","Serotonin receptors","Signaling by cytosolic FGFR1 fusion mutants","MAPK targets/ Nuclear events mediated by 
MAP kinases","ARMS-mediated activation","Nef Mediated CD4 Down-regulation","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from mitotic centrosomes","activated TAK1 mediates p38 MAPK ac
tivation","p38MAPK events","PI5P Regulates TP53 Acetylation","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{ABL1,CSF1R,DDR1,KIT,NTRK1,PDGFRA,PDGFRB,RET}

> <broad_moa>
{"Bcr-Abl kinase inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor"}

> <synonyms>
{Imatinib,152459-95-5,152459955,STI571,Glivec,"Imatinib (STI571)",sti-571,sti571,"Imatinib free base","Cgp 57148","STI 571",UNII-BKJ8M8G5HI,UNIIBKJ8M8G5HI,"Imatinib Methansulfonate",CGP-57148,CGP57148
,"152459-95-5 (free base)","152459955 (free base)",BKJ8M8G5HI,CHEMBL941,CHEBI:45783,NSC743414,"Imatinib (INN:BAN",T6230,743414,S2475,Prestw-1290,"NSC 743414",imatinib,Imatinib(STI571),IMATINIB,"Imatin
ib mesylate"}

> <pdid>
PD001319

> <targets>
{c-Kit,KIT,ABL,VEGFR-PDGFR,PDGFR}

> <classes>
{"Tyrosine kinase inhibitor"}

> <pubchem_cids>
{5291}

$$$$
Broad_2021
  SciTegic11012413022D

 33 37  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -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
   -1.6216    3.9790    0.0000 S   0  0
   -1.9268    5.4485    0.0000 C   0  0
   -0.8074    6.4483    0.0000 C   0  0
   -0.9714    7.9264    0.0000 O   0  0
    0.4026    8.5282    0.0000 N   0  0
    1.3995    7.4074    0.0000 C   0  0
    0.6416    6.1129    0.0000 N   0  0
    2.8929    7.5551    0.0000 C   0  0
    3.6093    8.8674    0.0000 C   0  0
    5.1089    8.9023    0.0000 C   0  0
    5.8889    7.6211    0.0000 C   0  0
    7.3885    7.6561    0.0000 C   0  0
    5.1694    6.3050    0.0000 C   0  0
    3.6698    6.2700    0.0000 C   0  0
   -4.2067    3.2905    0.0000 N   0  0
   -4.9546    1.9903    0.0000 N   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 N   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  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 13  2  0
 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
 10 25  2  0
 25 26  1  0
 26 27  2  0
 27  9  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
M  END
> <name>
Broad_2021

> <id>
33647

> <plate>
Plate_1

> <well>
C10

> <supplier_cmpd_name>
JW 74

> <ctcr_id>
8308

> <supplier_cmpd_id>
JW 74

> <smiles>
COc1ccc(cc1)n2c(SCc3onc(n3)c4ccc(C)cc4)nnc2c5ccncc5

> <pd_targets>
{FTL,TNKS,TNKS2,CYP2C9,CYP3A4,CYP2D6,WNT3A,AXIN2}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Secreted protein",Transferase,"Cytochrome P450","Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Cytochrom
e P450 family 2D","Cytochrome P450 2C9","Cytochrome P450 3A4","Cytochrome P450 2D6"}

> <pathway_chembl>
{Enzymes,"Poly ADP-ribose polymerases","Cytochrome P450","CYP2 family: drug metabolising subset","CYP3 family"}

> <pathway_reactome>
{"Vesicle-mediated transport","Signal Transduction",Metabolism,Disease,"Membrane Trafficking","Intracellular signaling by second messengers","Biological oxidations","Metabolism of lipids","Diseases of
 signal transduction by growth factor receptors and second messengers","Signaling by WNT","trans-Golgi Network Vesicle Budding","PIP3 activates AKT signaling","Phase I - Functionalization of compounds
","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by WNT in cancer","TCF dependent signaling in response to WNT","Golgi Associated Vesicle Biogenesis","PTEN Regulation","Cytochr
ome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Signaling by RNF43 mutants","Formation of the beta-catenin:TCF transactivating complex","Regulation of PTEN stability and act
ivity",Xenobiotics,"Biosynthesis of maresins","Binding of TCF/LEF:CTNNB1 to target gene promoters","CYP2E1 reactions","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{TNKS,TNKS2}

> <broad_moa>
{"tankyrase inhibitor","WNT signaling inhibitor"}

> <synonyms>
{JW74,863405-60-1,863405601,CHEMBL1552719,JW-74,SCHEMBL11919898,HMS1844M08,"JW 74",ZINC8614303,BDBM50380592,CCG-68686,CCG68686,STL406359,AKOS001512198,CS-5463,CS5463,MCULE-3805212654,MCULE3805212654,"
JW74, >=98 (HPLC)",NCGC00115449-01,NCGC0011544901,NCGC00115449-04,NCGC0011544904,HY-19739,HY19739,D065-0024,D0650024,SML0227}

> <pdid>
PD003334

> <targets>
{Wnt}

> <classes>
{Stem Cell/Wnt}

> <pubchem_cids>
{16013152}

$$$$
Broad_2021
  SciTegic11012413022D

 39 43  0  0  0  0            999 V2000
    9.4354   -7.1382    0.0000 C   0  0
    9.0116   -5.6993    0.0000 C   0  0
    7.5536   -5.3469    0.0000 C   0  0
    7.1297   -3.9080    0.0000 C   0  0
    8.1609   -2.8260    0.0000 C   0  0
    9.6219   -3.1739    0.0000 C   0  0
   10.0458   -4.6128    0.0000 C   0  0
    7.8525   -1.3573    0.0000 N   0  0
    8.8523   -0.2390    0.0000 N   0  0
    8.0978    1.0574    0.0000 C   0  0
    6.6317    0.7404    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8912    5.2578    0.0000 N   0  0
   -5.1876    6.0124    0.0000 C   0  0
   -5.1824    7.5124    0.0000 C   0  0
   -3.8808    8.2579    0.0000 O   0  0
   -2.5844    7.5034    0.0000 C   0  0
   -2.5896    6.0034    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    8.7025    2.4282    0.0000 C   0  0
   10.1936    2.5911    0.0000 C   0  0
    7.8162    3.6384    0.0000 C   0  0
    9.3071    3.8009    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  8  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 20 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 17  1  0
 35 30  1  0
 10 36  1  0
 36 37  1  0
 36 38  1  0
 36 39  1  0
M  END
> <name>
Broad_2021

> <id>
33648

> <plate>
Plate_1

> <well>
D10

> <supplier_cmpd_name>
Doramapimod

> <ctcr_id>
2076

> <supplier_cmpd_id>
Doramapimod

> <smiles>
Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3ccc(OCCN4CCOCC4)c5ccccc35)C(C)(C)C

> <pd_targets>
{MAPK11,LCK,EGFR,MAPK9,MAPK14,MAPK10,EPHB1,MKNK2,EPHA8,ABL1,KIT,MAP4K4,EPHA5,TNIK,TEK,FLT3,FLT4,PDGFRB,MAPK12,NTRK1,MAPK13,BRAF,CIT,TIE1,CDK19,CDK8,EPHA3,KDR,FGFR1,CDK5,CDC42BPG,EPHA4,YES1,CDC42BPB,CD
C42BPA,PTK2,TNF,PTK2B,NTRK2,MKNK1,PRKCD,EPHB2,RET,PRKCB,FLT1,ANKK1,TTK,EPHA1,MAPK8,DDR2,LTK,LYN,EPHA6,MINK1,FGFR2,FGR,RAF1,FYN,FRK,EPHA7,ACVR1B,GSK3B,RIPK2,EPHA2,MAP3K20,BLK,DDR1,HCK,CDK7,CDK13,CAMK2B
,MUSK,NTRK3,TYRO3,NLK,MAPK1,EPHB3,EPHB4,FER,PDGFRA,STK10,MERTK,CSF1R,SLK,SRC,FGFR4,HTR2A,ABL2,MAPK15,MAP3K7,MARK2,CHEK2,TAB1,PRKD2,ABCB1,HSPB1}

> <pathway_gtopdb>
{Enzyme,"Secreted protein","Membrane receptor",Transporter,"Other cytosolic protein",Kinase,"Family A G protein-coupled receptor","Primary active transporter","Protein Kinase","Small molecule receptor
 (family A GPCR)","ATP-binding cassette","CMGC protein kinase group","TK protein kinase group","CAMK protein kinase group","STE protein kinase group","TKL protein kinase group","AGC protein kinase gro
up","Other protein kinase group","Monoamine receptor","ABCB subfamily","CMGC protein kinase MAPK family","Tyrosine protein kinase Src family","Tyrosine protein kinase EGFR family","Tyrosine protein ki
nase Eph family","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR family","STE protein kinase STE20 family","Tyrosine protein kinase Tie family"
,"Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Trk family","TKL protein kinase RAF family","AGC protein kinase DMPK family","CMGC protein kinase CDK family","Tyrosine protein kinase 
FGFR family","Tyrosine protein kinase Fak family","AGC protein kinase PKC family","Tyrosine protein kinase Ret family","TKL protein kinase RIPK family","Other protein kinase TTK family","Tyrosine prot
ein kinase DDR family","Tyrosine protein kinase Alk family","TKL protein kinase STKR family","CMGC protein kinase GSK family","TKL protein kinase MLK family","CAMK protein kinase CAMK2 family","Tyrosi
ne protein kinase Musk family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Fer family","Serotonin receptor","CAMK protein kinase CAMK1 family","CAMK protein kinase RAD53 family","CAM
K protein kinase PKD family","CMGC protein kinase p38 subfamily","CMGC protein kinase JNK subfamily","CAMK protein kinase MNK subfamily","STE protein kinase MSN subfamily","AGC protein kinase CRIK sub
family","CMGC protein kinase CDK8 subfamily","CMGC protein kinase CDK5 subfamily","AGC protein kinase GEK subfamily","AGC protein kinase PKC delta subfamily","AGC protein kinase PKC alpha subfamily","
Tyrosine protein kinase SrcA","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase CDK7 subfamily","CMGC protein kinase nmo subfamily","CMGC protein kinas
e ERK1","STE protein kinase SLK subfamily","TKL protein kinase TAK1 subfamily","CAMK protein kinase MARK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Kinases (EC 2.7.x.x)","Catalytic receptors","G protein-coupled receptors","ATP-binding cassette transporter family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Re
ceptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","5-Hydroxytryptamine 
receptors","ABCB subfamily","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","MAPK-Activated Protein Kinase (MAPKAPK) family","STE20 family","TKL: Tyrosine kinase-like","DMPK fa
mily","Cyclin-dependent kinase (CDK) family","Protein kinase C (PKC) family","Other protein kinases","Glycogen synthase kinase (GSK) family","CAMK2 family","CAMK-like (CAMKL) family","Protein kinase D
 (PKD) family","p38 subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","JNK subfamily","MKN subfamily","MSN subfamily","RAF family","Other DMPK family kinases","CDK8
 subfamily","CDK5 subfamily","GEK subfamily","Delta subfamily","Alpha subfamily","Receptor interacting protein kinase (RIPK) family","TTK family","Receptor serine/threonine kinase (RSTK) family","GSK 
subfamily","Mixed Lineage Kinase (MLK) family","CDK7 subfamily","CRK7 subfamily","nmo subfamily","ERK subfamily","SLK subfamily","Erk7 subfamily","MARK subfamily","CHK1 subfamily","Src family","Type I
 RTKs: ErbB (epidermal growth factor) receptor family","Type XIII RTKs: Ephrin receptor family","Abl family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XII RTKs: TIE family of angiop
oietin receptors","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type V RTKs: FGF (fibroblast growth factor) receptor fami
ly","Fak family","Type XIV RTKs: RET","Type XVI RTKs: DDR (collagen receptor) family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type I receptor serine/threonine kinases","MLK s
ubfamily","Type IX RTKs: MuSK","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Fer family","TAK1 subfamily"}

> <pathway_reactome>
{"Immune System",Disease,"Signal Transduction","Developmental Biology","Cellular responses to external stimuli",Metabolism,"Gene expression (Transcription)","Cell Cycle","Extracellular matrix organiza
tion","Neuronal System",Hemostasis,"Innate Immune System","Infectious disease","Signaling by GPCR","Nervous system development","Diseases of signal transduction by growth factor receptors and second m
essengers","Cellular responses to stress","MAPK family signaling cascades","Signaling by Receptor Tyrosine Kinases","Intracellular signaling by second messengers","Signaling by Rho GTPases","Metabolis
m of lipids","RNA Polymerase II Transcription","Cytokine Signaling in Immune system",Mitotic,"Non-integrin membrane-ECM interactions","Signaling by NODAL","Transmission across Chemical Synapses","ECM 
proteoglycans","Signaling by WNT","Cell surface interactions at the vascular wall","Abacavir transport and metabolism","Signaling by Nuclear Receptors","Toll-like Receptor Cascades","HIV Infection","G
PCR downstream signalling","Axon guidance","Leishmania infection","Signaling by KIT in disease","Cellular Senescence","MAPK1/MAPK3 signaling","Signaling by Insulin receptor","Signaling by VEGF","PIP3 
activates AKT signaling","Signaling by NTRKs","RHO GTPase Effectors","Regulation of lipid metabolism by PPARalpha","Signaling by NOTCH1 in Cancer","Signaling by FGFR in disease","Generic Transcription
 Pathway","Signaling by Interleukins","Signaling by FGFR","DAG and IP3 signaling","M Phase","Regulation of signaling by NODAL","SARS-CoV Infections","Neurotransmitter receptors and postsynaptic signal
 transmission","Beta-catenin independent WNT signaling","Signaling by SCF-KIT","Signaling by PDGFR in disease","Neutrophil degranulation","GPCR ligand binding","Sphingolipid metabolism","Abacavir tran
smembrane transport","ESR-mediated signaling","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","G alpha (q) signalling events","EPH-Ephrin signaling","Parasite infection","Drug
 resistance of KIT mutants","Oxidative Stress Induced Senescence","RAF/MAP kinase cascade","Insulin receptor signalling cascade","VEGF ligand-receptor interactions","Negative regulation of the PI3K/AK
T network","Signaling by NTRK1 (TRKA)","RHO GTPases activate CIT","PPARA activates gene expression","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","VEGFA-VEGFR2 Pathway","Signaling by FGFR1 in
 disease","Transcriptional Regulation by TP53","Leishmania parasite growth and survival","Interleukin-10 signaling","Interleukin-2 family signaling","Signaling by FGFR4","CaM pathway","RET signaling",
"Mitotic Prophase","Signaling by FGFR2 in disease","PTEN Regulation","SARS-CoV-1 Infection","Transcriptional regulation by RUNX1","HIV Life Cycle","Activation of NMDA receptors and postsynaptic events
","Signaling by NTRK3 (TRKC)","Ca2+ pathway","Drug resistance of PDGFR mutants","Transcriptional Regulation by VENTX","Class A/1 (Rhodopsin-like receptors)","Signaling by ROBO receptors","Toll Like Re
ceptor 4 (TLR4) Cascade","Sphingolipid de novo biosynthesis","Extra-nuclear estrogen signaling","MyD88 cascade initiated on plasma membrane","The role of Nef in HIV-1 replication and disease pathogene
sis","Gastrin-CREB signalling pathway via PKC and MAPK","EPHB-mediated forward signaling","EPHA-mediated growth cone collapse","Leishmania phagocytosis","Dasatinib-resistant KIT mutants","IRS-mediated
 signalling","VEGF binds to VEGFR leading to receptor dimerization",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Signalling to ERKs","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","VEG
FR2 mediated cell proliferation","FGFR1 mutant receptor activation","Regulation of TP53 Activity","Anti-inflammatory response favouring Leishmania parasite infection","Interleukin-2 signaling","Activa
tion of TRKA receptors","Negative regulation of FGFR4 signaling","Calmodulin induced events","Nuclear Envelope Breakdown","FGFR2 mutant receptor activation","Negative regulation of MAPK pathway","Regu
lation of PTEN stability and activity","SARS-CoV-1 Genome Replication and Transcription","RUNX1 regulates transcription of genes involved in BCR signaling","Late Phase of HIV Life Cycle","TP53 Regulat
es Transcription of DNA Repair Genes","Post NMDA receptor activation events","Activated NTRK3 signals through PI3K","Imatinib-resistant PDGFR mutants","Downstream signaling of activated FGFR4","Amine 
ligand-binding receptors","Role of ABL in ROBO-SLIT signaling","MyD88-independent TLR4 cascade","MAP kinase activation","Nef-mediates down modulation of cell surface receptors by recruiting them to cl
athrin adapters","EGFR Transactivation by Gastrin","FCGR3A-mediated phagocytosis","PI3K Cascade","Signalling to RAS","Prolonged ERK activation events","Signaling by activated point mutants of FGFR1","
Regulation of TP53 Activity through Phosphorylation","FCGR3A-mediated IL10 synthesis","NGF-independant TRKA activation","Spry regulation of FGF signaling","Depolymerisation of the Nuclear Lamina","Act
ivated point mutants of FGFR2","Negative feedback regulation of MAPK pathway","Nef and signal transduction","Replication of the SARS-CoV-1 genome","Transcription of the HIV genome","CREB1 phosphorylat
ion through NMDA receptor-mediated activation of RAS signaling","FRS-mediated FGFR4 signaling","Serotonin receptors","TRIF(TICAM1)-mediated TLR4 signaling","Regulation of TP53 Expression and Degradati
on","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","p38MAPK events","ARMS-mediated activation","activated TAK1 mediates p38 MAPK activation","HIV Transcripti
on Elongation","Ras activation upon Ca2+ influx through NMDA receptor","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Regulation of TP53 Degradation","Activation of the AP-1 family of
 transcription factors","Tat-mediated elongation of the HIV-1 transcript","ERK/MAPK targets","Formation of HIV-1 elongation complex containing HIV-1 Tat","ERKs are inactivated"}

> <broad_targets>
{MAPK11,MAPK12,MAPK13,MAPK14}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{Doramapimod,285983-48-4,285983484,"285983 48 4","BIRB 796",BIRB-796,BIRB796,"BIRB 796 (Doramapimod)",UNII-HO1A8B3YVV,UNIIHO1A8B3YVV,"UNII HO1A8B3YVV",HO1A8B3YVV,"BIRB-796 BS","BIRB796 BS","BIRB 796 B
S",CHEMBL103667,CHEBI:40953,C31,T6277,S1574}

> <pdid>
PD003343

> <targets>
{"p38 MAPK"}

> <classes>
{MAPK}

> <pubchem_cids>
{156422}

$$$$
Broad_2021
  SciTegic11012413022D

 21 23  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 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 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  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  3  1  0
 12  8  2  0
 13  9  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  6
 16 17  1  0
 15 18  1  0
 18 19  1  1
 18 20  1  0
 20 13  1  0
 20 21  1  6
M  END
> <name>
Broad_2021

> <id>
33649

> <plate>
Plate_1

> <well>
E10

> <supplier_cmpd_name>
Nelarabine

> <ctcr_id>
7563

> <supplier_cmpd_id>
Nelarabine

> <smiles>
COc1nc(N)nc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O

> <pd_targets>
{POLA1,KMT2A,MEN1}

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

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Mitotic G1 phase and G1/S transition","G1/S Transition","E2F mediated regulation of DNA replication","Inhibition of replication initiation of damaged DNA by RB1/E2F1"}

> <broad_targets>
{POLA1}

> <broad_moa>
{"DNA synthesis inhibitor","T cell inhibitor"}

> <synonyms>
{Nelarabine,Nelzarabine,121032-29-9,121032299,Arranon,Atriance,506U78,"GW 506U78",GW-506U78,GW506U78,506U,2-Amino-9-beta-D-arabinofuranosyl-6-methoxy-9H-purine,2Amino9betaDarabinofuranosyl6methoxy9Hpu
rine,NSC-686673,NSC686673,"Nelarabine (Arranon)",CHEBI:63612,UNII-60158CV180,UNII60158CV180,"2-Amino-6-methoxypurine arabinoside","2Amino6methoxypurine arabinoside",MAY,NCGC0,T6603,S1213,nelarabine}

> <pdid>
PD003304

> <targets>
{"DNA/RNA Synthesis"}

> <classes>
{}

> <pubchem_cids>
{3011155}

$$$$
Broad_2021
  SciTegic11012413022D

 19 19  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1887   -6.0105    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 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 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4983    0.7413    0.0000 Cl  0  0
   -2.6061    2.9986    0.0000 C   0  0
   -3.9082    3.7448    0.0000 C   0  0
   -3.9139    5.2448    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 10 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 13 17  1  0
 17 18  1  0
 18 19  1  0
M  END
> <name>
Broad_2021

> <id>
33650

> <plate>
Plate_1

> <well>
F10

> <supplier_cmpd_name>
Chlorambucil

> <ctcr_id>
2305

> <supplier_cmpd_id>
Chlorambucil

> <smiles>
OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl

> <pd_targets>
{SLCO1B3,PMP22,HIF1A,TSHR,MAPT,CYP2D6,CHRM1,THPO,GMNN,NFKB1,LMNA,AKR1B1,TGR}

> <pathway_gtopdb>
{Transporter,"Unclassified protein","Transcription factor","Membrane receptor","Other cytosolic protein",Enzyme,"Other nuclear protein","Electrochemical transporter","Family A G protein-coupled recept
or","Cytochrome P450",Oxidoreductase,"SLC superfamily of solute carriers","Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","SLC21/SLCO family of 
organic anion transporting polypeptides","Glycohormone receptor","Cytochrome P450 family 2D","Monoamine receptor","Cytochrome P450 2D6","Acetylcholine receptor"}

> <pathway_chembl>
{Transporters,Receptors,Enzymes,"SLC superfamily of solute carriers","G protein-coupled receptors","Cytochrome P450","1.-.-.- Oxidoreductases","SLCO family of organic anion transporting polypeptides",
"Glycoprotein hormone receptors","CYP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)"}

> <pathway_reactome>
{Metabolism,"Developmental Biology","Cellular responses to external stimuli",Disease,"Neuronal System","Signal Transduction",Hemostasis,"Cell Cycle","Immune System","Metabolism of lipids","Nervous sys
tem development","Cellular responses to stress","Infectious disease","Transmission across Chemical Synapses","Biological oxidations","Signaling by GPCR","Platelet activation","signaling and aggregatio
n",Mitotic,"Cytokine Signaling in Immune system","Metabolism of steroids","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Cellular response to hypoxia","Leishmania infection","Neurot
ransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","GPCR ligand binding","Platelet Aggregation (Plug Formation)","Mitotic G1 phase and G1/S transitio
n","Signaling by Interleukins","M Phase","Bile acid and bile salt metabolism","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Leishmania parasite growth and survival","Acti
vation of NMDA receptors and postsynaptic events","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","G1/S Transition","Interleukin-1 family signaling","Mitotic Meta
phase and Anaphase","Metabolism of steroid hormones","Recycling of bile acids and salts","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events",Xen
obiotics,"Amine ligand-binding receptors","Activation of the pre-replicative complex","Interleukin-1 signaling","Mitotic Anaphase","Pregnenolone biosynthesis","ADORA2B mediated anti-inflammatory cytok
ines production","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","Muscarinic acetylcholine receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Nuclear Envelope (NE) Reassembly","Init
iation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"DNA inhibitor"}

> <synonyms>
{RESTW107,chlorambucil,305-03-3,305033,Ambochlorin,Chloroambucil,Leukeran,Chloraminophen,Chlorbutin,Chloraminophene,Chlorobutine,Amboclorin,Chlorbutine,Chlorobutin,Linfolizin,Linfolysin,Ecloril,Elcori
l,"Phenylbutyric acid nitrogen mustard",Chlocambucil,Lymphol,T0975,3088,C0253,SAM002564202,1500171,Prestw-1079,"NSC 3088",Chlorambucil,CPD000058372,CHLORAMBUCIL}

> <pdid>
PD002434

> <targets>
{}

> <classes>
{antineoplastic,"alkylating agent","Alkylating agent"}

> <pubchem_cids>
{2708}

$$$$
Broad_2021
  SciTegic11012413022D

 35 39  0  0  1  0            999 V2000
   12.5511   -3.4085    0.0000 C   0  0
   11.1261   -3.8768    0.0000 N   0  0
   10.3809   -3.2100    0.0000 C   0  0
   10.8181   -5.3457    0.0000 C   0  0
    9.3923   -5.8143    0.0000 C   0  0  1  0  0  0
    8.2760   -4.8112    0.0000 N   0  0
    8.5856   -3.3427    0.0000 C   0  0
    9.5362   -3.0324    0.0000 O   0  0
    7.4711   -2.3413    0.0000 N   0  0
    6.0049   -2.6577    0.0000 C   0  0
    5.2509   -1.3610    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 S   0  0
    0.0000   -1.5000    0.0000 C   0  0
    4.0324    0.7357    0.0000 N   0  0
    5.4987    1.0521    0.0000 N   0  0
    6.2511   -0.2432    0.0000 C   0  0
    7.6233   -0.8490    0.0000 C   0  0
    7.5962    0.6507    0.0000 C   0  0
    8.9134   -1.6142    0.0000 C   0  0
    9.0827   -7.2829    0.0000 C   0  0
   10.1970   -8.2871    0.0000 C   0  0
    9.8846   -9.7542    0.0000 C   0  0
    8.4578  -10.2172    0.0000 C   0  0
    7.3435   -9.2130    0.0000 C   0  0
    7.6559   -7.7459    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 14  1  0
 23 19  2  0
 12 24  2  0
 24 25  1  0
 25 26  1  0
 26 11  2  0
 26 27  1  0
 27  9  1  0
 27 28  1  0
 27 29  1  0
  5 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>
Broad_2021

> <id>
33651

> <plate>
Plate_1

> <well>
G10

> <supplier_cmpd_name>
PF-3758309

> <ctcr_id>
8285

> <supplier_cmpd_id>
PF-3758309

> <smiles>
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c5ccccc5

> <pd_targets>
{PAK4,PAK5,PAK1,PAK2,PAK3,PAK6}

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

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","STE20 family","PAKB subfamily","PAKA subfamily"}

> <pathway_reactome>
{"Developmental Biology",Disease,"Nervous system development","Infectious disease","Axon guidance","HIV Infection","Signaling by ROBO receptors","EPH-Ephrin signaling","Host Interactions of HIV factor
s","Activation of RAC1","EPHB-mediated forward signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Ephrin signaling","Nef and signal transduction"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{PF3758309,"PF 3758309",898044-15-0,898044150,"898044 15 0",PF-03758309,PF03758309,"PF 03758309",UNII-PK459EA5I2,UNIIPK459EA5I2,"UNII PK459EA5I2",PK459EA5I2,CHEMBL3128043,"898044-15-0 (free base)","89
8044150 (free base)","898044 15 0 (free bas",S7094,PF-3758309,"PF 3758309 dihydrochloride"}

> <pdid>
PD003674

> <targets>
{PAK,Apoptosis}

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

> <pubchem_cids>
{25227462}

$$$$
Broad_2021
  SciTegic11012413022D

 33 35  0  0  0  0            999 V2000
    6.0788   -1.3780    0.0000 C   0  0
    5.6342    0.0546    0.0000 C   0  0
    7.0971   -0.2769    0.0000 C   0  0
    6.6534    1.1562    0.0000 C   0  0
    6.2088    2.5888    0.0000 O   0  0
    8.1173    0.8252    0.0000 N   0  0
    9.1366    1.9269    0.0000 C   0  0
   10.6004    1.5959    0.0000 C   0  0
    9.5823    0.4944    0.0000 F   0  0
   11.0451    0.1633    0.0000 F   0  0
   11.6197    2.6975    0.0000 C   0  0
   13.0828    2.3667    0.0000 F   0  0
   12.6379    3.7990    0.0000 F   0  0
   11.1751    4.1301    0.0000 F   0  0
    4.1703    0.3856    0.0000 C   0  0
    3.7257    1.8182    0.0000 O   0  0
    3.1510   -0.7161    0.0000 N   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5242    2.0130    0.0000 O   0  0
    0.0000    1.7286    0.0000 N   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.4523    2.0983    0.0000 C   0  0
   -3.8856    1.6561    0.0000 C   0  0
   -4.2194    0.1937    0.0000 C   0  0
   -3.1198   -0.8265    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
  2 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 18  1  0
 33 28  1  0
M  END
> <name>
Broad_2021

> <id>
33652

> <plate>
Plate_1

> <well>
H10

> <supplier_cmpd_name>
RO4929097

> <ctcr_id>
7658

> <supplier_cmpd_id>
RO4929097

> <smiles>
CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)NC1C(=O)Nc2ccccc2c3ccccc13

> <pd_targets>
{APH1A,APH1B,NCSTN,PSEN1,PSEN2,PSENEN}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Protease,"Other ion channel","Aspartic protease","Miscellaneous ion channel","Aspartic protease AD clan","Presenilin ER Ca2+ leak channel family","Aspartic protease A22A subfamil
y","Aspartic protease A22A regulatory subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","AD: Aspartic (A) Peptidases","A22: Presenilin"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","EPH-Ephrin signaling","EPH-ephrin mediated repulsion of cells"}

> <broad_targets>
{PSEN1}

> <broad_moa>
{"gamma secretase inhibitor"}

> <synonyms>
{ZINC95567272,SW220263-1,SW2202631,S1575,RO4929097}

> <pdid>
PD003498

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

> <classes>
{}

> <pubchem_cids>
{44137339}

$$$$
Broad_2021
  SciTegic11012413022D

 38 42  0  0  1  0            999 V2000
    0.4512   -8.1382    0.0000 C   0  0
   -0.9618   -8.6416    0.0000 C   0  0  1  0  0  0
   -2.1046   -7.6686    0.0000 O   0  0
   -1.8348   -6.1949    0.0000 C   0  0
   -0.4810   -5.5489    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1519   -3.7886    0.0000 S   0  0
   -2.8675   -5.1069    0.0000 C   0  0
   -4.3533   -5.2996    0.0000 C   0  0
   -4.9296   -6.6845    0.0000 N   0  0
   -5.2649   -4.1084    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 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 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 N   0  0
   -7.7884   -1.5181    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2321  -10.1179    0.0000 C   0  0
   -0.0881  -11.0881    0.0000 C   0  0
   -0.3562  -12.5639    0.0000 C   0  0
   -1.7683  -13.0697    0.0000 C   0  0
   -2.9124  -12.0996    0.0000 C   0  0
   -2.6443  -10.6237    0.0000 C   0  0
   -3.7890   -9.6531    0.0000 C   0  0
   -5.2015  -10.1580    0.0000 F   0  0
   -3.5205   -8.1774    0.0000 F   0  0
   -4.9327   -8.6825    0.0000 F   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  1  0
  8  4  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
  6 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 20  1  0
 18 27  1  0
 27 28  2  0
 28 12  1  0
 28 15  1  0
  2 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
 34 35  1  0
 35 36  1  0
 35 37  1  0
 35 38  1  0
M  END
> <name>
Broad_2021

> <id>
33653

> <plate>
Plate_1

> <well>
I10

> <supplier_cmpd_name>
GSK461364

> <ctcr_id>
7191

> <supplier_cmpd_id>
GSK461364

> <smiles>
C[C@@H](Oc1cc(sc1C(N)=O)n2cnc3ccc(CN4CCN(C)CC4)cc23)c5ccccc5C(F)(F)F

> <pd_targets>
{PRKD3,CSNK2A2,PIK3CG,BRSK2,MAP3K19,NIM1K,RPS6KA3,PLK3,IRAK1,FLT3,ROCK1,PIK3CB,PKN2,MERTK,IRAK3,RPS6KA6,NUAK2,RIOK1,DAPK1,STK10,DAPK3,CSNK2A1,NEK2,PIK3C2B,GRK4,PLK2,DAPK2,MAP3K9,GRK7,CAMK2D,KIT,PIP5K1
A,PRKCI,NEK5,RPS6KA4,ULK2,NEK9,PIM3,TAOK3,MAP3K1,RPS6KA2,CDK7,PDGFRB,PIM1,RIOK3,TIE1,NEK1,SLK,CAMK2A,MAP4K2,PIK3CD,EIF2AK4,CAMK2B,PIP4K2B,ANKK1,PLK1,PIP5K1C,CAMK2G,SRPK3,BMP2K,PRKCD}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","CAMK protein kinase group","Other protein kinase group","STE protein kinase group","AGC protein kinase group","TKL protein kinase group","TK protein kinase
 group","Atypical protein kinase group","CMGC protein kinase group","CAMK protein kinase PKD family","Other protein kinase CK2 family","CAMK protein kinase CAMK1 family","STE protein kinase STE11 fami
ly","AGC protein kinase RSK family","Other protein kinase PLK family","TKL protein kinase IRAK family","Tyrosine protein kinase PDGFR family","AGC protein kinase DMPK family","AGC protein kinase PKN f
amily","Tyrosine protein kinase Axl family","Atypical protein kinase RIO family","CAMK protein kinase DAPK family","STE protein kinase STE20 family","Other protein kinase NEK family","AGC protein kina
se GRK family","TKL protein kinase MLK family","CAMK protein kinase CAMK2 family","AGC protein kinase PKC family","Other protein kinase ULK family","CAMK protein kinase PIM family","CMGC protein kinas
e CDK family","Tyrosine protein kinase Tie family","Other protein kinase PEK family","TKL protein kinase RIPK family","CMGC protein kinase SRPK family","Other protein kinase NAK family","CAMK protein 
kinase BRSK subfamily","CAMK protein kinase NIM1 subfamily","AGC protein kinase RSK subfamily","AGC protein kinase ROCK subfamily","CAMK protein kinase NuaK subfamily","Atypical protein kinase RIO1 su
bfamily","STE protein kinase SLK subfamily","AGC protein kinase GRK subfamily","Other protein kinase PLK2","TKL protein kinase MLK subfamily","AGC protein kinase PKC iota subfamily","AGC protein kinas
e MSK subfamily","STE protein kinase TAO subfamily","CMGC protein kinase CDK7 subfamily","Atypical protein kinase RIO3 subfamily","STE protein kinase KHS subfamily","Other protein kinase GCN2 subfamil
y","AGC protein kinase PKC delta subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor kinases","Lipid modifying kinases","STE: Homologs of yeast Sterile 7","St
erile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","Protein kinase D (PKD) family","Other protein kinases",Phosphatidylino
sitol-4,"5-bisphosphate 3-kinase family","CAMK-like (CAMKL) family","STE20 family","RSK family","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","DMPK family","Protein kinase N (PKN) family","RIO fam
ily","Death-associated kinase (DAPK) family","Phosphatidylinositol-4-phosphate 3-kinase family","G protein-coupled receptor kinases (GRKs)","CAMK2 family","Type I PIP kinases (1-phosphatidylinositol-4
-phosphate 5-kinase family)","Protein kinase C (PKC) family","PIM family","STE11 family","Cyclin-dependent kinase (CDK) family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family
)","SRPK family","Casein kinase 2 (CK2) family","BRSK subfamily","STE20 subfamily","NIM1 subfamily","RSK subfamily","Polo-like kinase (PLK) family","Interleukin-1 receptor-associated kinase (IRAK) fam
ily","Receptor tyrosine kinases (RTKs)","Rho kinase","NuaK subfamily","RIO1 subfamily","SLK subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","GRK4 subfamily","Mixed Lineage Kin
ase (MLK) family","Opsin/rhodopsin kinases","Iota subfamily","MSK subfamily","Unc-51-like kinase (ULK) family","TAO subfamily","CDK7 subfamily","RIO3 subfamily","KHS subfamily","PEK family","Receptor 
interacting protein kinase (RIPK) family","Numb-associated kinase (NAK) family","Delta subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) r
eceptor family","MLK subfamily","Type XII RTKs: TIE family of angiopoietin receptors","GCN2 subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Immune System","Signal Transduction","Developmental Biology",Hemostasis,"Neuronal System","Metabolism of RNA","Programmed Cell Death","Cell Cycle",Diseas
e,"Cellular responses to external stimuli","Metabolism of lipids","RNA Polymerase II Transcription","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Nervous system development","Signal
ing by Rho GTPases","Cell surface interactions at the vascular wall","Transmission across Chemical Synapses","rRNA processing",Apoptosis,Mitotic,"Signaling by GPCR","Infectious disease","Diseases of s
ignal transduction by growth factor receptors and second messengers","Death Receptor Signalling","Intracellular signaling by second messengers","Cytokine Signaling in Immune system","Cellular response
s to stress","Sphingolipid metabolism","Generic Transcription Pathway","Phospholipid metabolism","Toll-like Receptor Cascades","Signaling by Insulin receptor","Axon guidance","RHO GTPase Effectors","N
eurotransmitter receptors and postsynaptic signal transmission","rRNA processing in the nucleus and cytosol","Caspase activation via extrinsic apoptotic signalling pathway","Neutrophil degranulation",
"Regulation of mitotic cell cycle","GPCR downstream signalling","Leishmania infection","Signaling by KIT in disease","p75 NTR receptor-mediated signalling","M Phase","HIV Infection","PIP3 activates AK
T signaling","FLT3 signaling in disease","Signaling by Interleukins","Response of EIF2AK4 (GCN2) to amino acid deficiency","Mitotic G2-G2/M phases","DAG and IP3 signaling","Sphingolipid de novo biosyn
thesis","Transcriptional Regulation by TP53","PI Metabolism","Toll Like Receptor 5 (TLR5) Cascade","Insulin receptor signalling cascade","Semaphorin interactions","RHO GTPases activate PKNs","Toll Lik
e Receptor 2 (TLR2) Cascade","Activation of NMDA receptors and postsynaptic events","Major pathway of rRNA processing in the nucleolus and cytosol","Caspase activation via Dependence Receptors in the 
absence of ligand","APC/C-mediated degradation of cell cycle proteins","G alpha (i) signalling events","Leishmania parasite growth and survival","Drug resistance of KIT mutants","p75NTR signals via NF
-kB","L1CAM interactions","Mitotic Prophase","HIV Life Cycle","Negative regulation of the PI3K/AKT network","Signaling by FLT3 ITD and TKD mutants",Interleukin-3,"Interleukin-5 and GM-CSF signaling","
G2/M Transition","CaM pathway","Regulation of TP53 Activity","Synthesis of PIPs at the plasma membrane","MyD88 cascade initiated on plasma membrane","IRS-mediated signalling","Sema4D in semaphorin sig
naling","Toll Like Receptor TLR6:TLR2 Cascade","Post NMDA receptor activation events","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Visual phototransduction","Anti-in
flammatory response favouring Leishmania parasite infection","Dasatinib-resistant KIT mutants","p75NTR recruits signalling complexes","Recycling pathway of L1","Nuclear Envelope Breakdown","Late Phase
 of HIV Life Cycle",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","STAT5 activation downstream of FLT3 ITD mutants","Interleukin receptor SHC signaling","Centrosome maturation","SEMA3A-Plexin repul
sion signaling by inhibiting Integrin adhesion","Calmodulin induced events","Regulation of TP53 Activity through Phosphorylation","MAP kinase activation","PI3K Cascade","Sema4D induced cell migration 
and growth-cone collapse","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","APC/C:Cdc20 mediated degradation o
f mitotic proteins","The phototransduction cascade","CD163 mediating an anti-inflammatory response","Activation of NIMA Kinases NEK9",NEK6,NEK7,"Transcription of the HIV genome","Regulation of TP53 Ac
tivity through Acetylation","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","RSK activation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint",Inactivation,"recovery and regulation of the phototransducti
on cascade","Ras activation upon Ca2+ influx through NMDA receptor","HIV Transcription Elongation","PI5P Regulates TP53 Acetylation","Loss of Nlp from mitotic centrosomes","CREB phosphorylation","APC-
Cdc20 mediated degradation of Nek2A","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{PLK1}

> <broad_moa>
{"PLK inhibitor"}

> <synonyms>
{GSK461364,929095-18-1,929095181,GSK-461364,"GSK 461364",GSK-461364A,GSK461364A,UNII-8QO27TK6Q4,UNII8QO27TK6Q4,8QO27TK6Q4,CHEMBL1908394,cc-630,cc630,SCHEMBL310080,GTPL5684,C27H28F3N5O2S,CHEBI:91333,DT
XSID60239197,BCP01720,EX-A1728,EXA1728,ABP000820,ANW-57776,ANW57776,BDBM50355500,MFCD12755419,NSC7,S2193}

> <pdid>
PD003618

> <targets>
{PLK}

> <classes>
{}

> <pubchem_cids>
{15983966}

$$$$
Broad_2021
  SciTegic11012413022D

 39 44  0  0  1  0            999 V2000
    6.4789   -8.2669    0.0000 C   0  0
    5.1824   -7.5124    0.0000 C   0  0  2  0  0  0
    5.1876   -6.0124    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5895   -6.0034    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0  2  0  0  0
    1.2827   -8.2489    0.0000 C   0  0
    3.8808   -8.2579    0.0000 O   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
   -2.5981    1.5000    0.0000 S   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0007    0.0000 C   0  0
   -6.4940    3.7529    0.0000 C   0  0
   -6.4917    5.2529    0.0000 C   0  0
   -7.7895    6.0049    0.0000 O   0  0
   -5.1914    6.0008    0.0000 C   0  0
   -3.8936    5.2488    0.0000 C   0  0
   -3.8960    3.7488    0.0000 O   0  0
   -2.5927    5.9971    0.0000 N   0  0
   -2.5879    7.4972    0.0000 C   0  0
   -1.2865    8.2430    0.0000 C   0  0
    0.0102    7.4889    0.0000 O   0  0
    0.0054    5.9889    0.0000 C   0  0
   -1.2960    5.2431    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  1
  6  8  1  0
  8  2  1  0
  4  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 21 22  2  0
 22 13  1  0
 19 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 18  1  0
 26 27  1  0
 27 28  2  3
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  2  3
 32 33  1  0
 33 27  1  0
 32 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 34  1  0
M  END
> <name>
Broad_2021

> <id>
33654

> <plate>
Plate_1

> <well>
J10

> <supplier_cmpd_name>
KU-60019

> <ctcr_id>
7152

> <supplier_cmpd_id>
KU-60019

> <smiles>
C[C@@H]1CN(C[C@H](C)O1)CC(=O)Nc2ccc3Sc4c(Cc3c2)cccc4C5=CC(=O)C=C(O5)N6CCOCC6

> <pd_targets>
{ATM}

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

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK family kinases"}

> <pathway_reactome>
{"Cell Cycle","Cell Cycle Checkpoints","G1/S DNA Damage Checkpoints","p53-Dependent G1/S DNA damage checkpoint","p53-Dependent G1 DNA Damage Response","Stabilization of p53","Autodegradation of the E3
 ubiquitin ligase COP1"}

> <broad_targets>
{ATM}

> <broad_moa>
{"ATM kinase inhibitor"}

> <synonyms>
{KU-60019,KU60019,925701-49-1,925701491,ku60019,"KU 60019",UNII-IAN358A69K,UNIIIAN358A69K,925701-46-8,925701468,IAN358A69K,CHEMBL2140173,C30H33N3O5S,cc-509,cc509,MLS006011020,GTPL8041,SCHEMBL3681453,A
OB3627,DTXSID00580453,EX-A658,EXA658,BCP02304,ABP000418,BDBM50059640,s1570,AKOS024458015,ZINC100071759,CCG,S1570}

> <pdid>
PD003277

> <targets>
{ATM}

> <classes>
{}

> <pubchem_cids>
{15953870}

$$$$
Broad_2021
  SciTegic11012413022D

 23 26  0  0  0  0            999 V2000
    6.0921   -5.7983    0.0000 N   0  0
    6.7064   -4.4299    0.0000 C   0  0
    7.3211   -3.0607    0.0000 C   0  0
    6.4434   -1.8433    0.0000 C   0  0
    7.0565   -0.4733    0.0000 C   0  0
    6.3038    0.8093    0.0000 C   0  0
    7.3128    1.9192    0.0000 C   0  0
    8.6802    1.3025    0.0000 C   0  0
    8.5162   -0.1885    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  4 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 15  1  0
 23 19  2  0
M  END
> <name>
Broad_2021

> <id>
33655

> <plate>
Plate_1

> <well>
K10

> <supplier_cmpd_name>
Ruxolitinib

> <ctcr_id>
7112

> <supplier_cmpd_id>
Ruxolitinib

> <smiles>
N#CCC(C1CCCC1)n2cc(cn2)c3ncnc4[nH]ccc34

> <pd_targets>
{IKBKE,ABL1,JAK2,RET,MAP4K4,LCK,GRK5,GSK3A,AURKB,JAK3,DYRK1B,FGFR1,CSNK1A1,CDK8,NTRK2,ALK,PRKAA1,DYRK1A,TAOK1,DAPK3,CLK2,LTK,PTK2,ROCK1,FYN,LRRK2,TNK2,PAK4,GSK3B,PRKACA,CAMK1D,CAMK2A,NTRK3,AURKA,PRKD3
,CLK4,MAP3K2,IKBKB,GRK7,CAMK2G,KIT,DCLK2,RPS6KA6,MKNK2,JAK1,PRKCE,VRK2,PLK4,PAK5,MAP3K19,TYK2,BMPR1B,CDK7,NEK7,MAP2K4,TTK,BRAF,ROCK2,BMPR2,STK26,RIPK4,RIOK1,BMP2K,MAP4K2,HDAC6,PI4KB,MAP2K1,CASK,CAMK2D
,SBK1,DCLK3,ANKK1,NTRK1,ULK3,CSNK2A1,PKNB,GAK,SRPK3,ULK2,MAST1,TAOK2,MARK2,TAOK3,RIOK3,PLK3,EPHB6,DCLK1,OXSR1,MAPK8,GRK1,CAMK1,STK17B,DMPK,CAMK2B,ERN1,CSNK2A2,NEK3,HIPK1,RIOK2,PAK6,AURKC,MAP3K15,RPS6K
A2,IRAK1,MAP2K3,ULK1,PLK1,EPHA3,NR1H2,HIPK3,MAP3K1,PHKG1,STK25,DAPK2,AAK1,CAMK1G,HIPK2,NUAK2,SIK3,PHKG2,MAP3K3,GRK4,PRKG2,PLK2,STK39,TBK1,MELK,MAP2K2,RPS6KA1,SRPK1,DYRK2,STK17A,RPS6KA5,DAPK1,STK16,RPS
6KA4,MYLK,MAP3K7,SBK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","TK protein kinase group","STE protein kinase group","AGC protein kinase group","CMGC protein kinase group","CK1 protein kinase group","TKL
 protein kinase group","CAMK protein kinase group","Tyrosine protein kinase Abl family","Tyrosine protein kinase JakA family","Tyrosine protein kinase Ret family","STE protein kinase STE20 family","Ty
rosine protein kinase Src family","AGC protein kinase GRK family","CMGC protein kinase GSK family","Other protein kinase AUR family","CMGC protein kinase DYRK family","Tyrosine protein kinase FGFR fam
ily","CK1 protein kinase CK1 family","CMGC protein kinase CDK family","Tyrosine protein kinase Trk family","TKL protein kinase STKR family","CAMK protein kinase CAMK1 family","CAMK protein kinase DAPK
 family","CMGC protein kinase CLK family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Fak family","AGC protein kinase DMPK family","TKL protein kinase LRRK family","Tyrosine protein 
kinase Ack family","AGC protein kinase PKA family","CAMK protein kinase CAMK2 family","CAMK protein kinase PKD family","STE protein kinase MSN subfamily","AGC protein kinase GRK subfamily","CMGC prote
in kinase Dyrk1 subfamily","CMGC protein kinase CDK8 subfamily","TKL protein kinase STKR Type 1 subfamily","CAMK protein kinase AMPK subfamily","STE protein kinase TAO subfamily","AGC protein kinase R
OCK subfamily","Tyrosine protein kinase SrcA","STE protein kinase PAKB subfamily","Epigenetic regulator","Unclassified protein","Transcription factor",Eraser,Transferase,"Nuclear receptor","Histone de
acetylase","Nuclear hormone receptor subfamily 1","Atypical protein kinase group","HDAC class IIb","Nuclear hormone receptor subfamily 1 group H","STE protein kinase STE11 family","Other protein kinas
e IKK family","Tyrosine protein kinase PDGFR family","CAMK protein kinase DCAMK1 family","AGC protein kinase RSK family","CAMK protein kinase MAPKAPK family","AGC protein kinase PKC family","Other pro
tein kinase PLK family","Other protein kinase NEK family","STE protein kinase STE7 family","Other protein kinase TTK family","TKL protein kinase RAF family","TKL protein kinase RIPK family","Atypical 
protein kinase RIO family","Other protein kinase NAK family","Other protein kinase NKF1 family","Other protein kinase ULK family","Other protein kinase CK2 family","CMGC protein kinase SRPK family","A
GC protein kinase MAST family","CMGC protein kinase MAPK family","TKL protein kinase IRAK family","Tyrosine protein kinase Eph family","Nuclear hormone receptor subfamily 1 group H member 3","CAMK pro
tein kinase PHk family","AGC protein kinase PKG family","CAMK protein kinase MLCK family","TKL protein kinase MLK family","STE protein kinase MEKK2","AGC protein kinase RSK subfamily","CAMK protein ki
nase MNK subfamily","AGC protein kinase PKC eta subfamily","CMGC protein kinase CDK7 subfamily","TKL protein kinase STKR Type 2 subfamily","STE protein kinase YSK subfamily","Atypical protein kinase R
IO1 subfamily","STE protein kinase KHS subfamily","CAMK protein kinase MARK subfamily","Atypical protein kinase RIO3 subfamily","STE protein kinase FRAY subfamily","CMGC protein kinase JNK subfamily",
"AGC protein kinase GEK subfamily","Other protein kinase Nek1","CMGC protein kinase HIPK subfamily","Atypical protein kinase RIO2 subfamily","STE protein kinase ASK","CAMK protein kinase NuaK subfamil
y","CAMK protein kinase QIK subfamily","Other protein kinase PLK2","CAMK protein kinase MELK subfamily","CMGC protein kinase Dyrk2 subfamily","AGC protein kinase MSK subfamily","TKL protein kinase TAK
1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: 
Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","CAMK: Calcium/calmodulin-dependent protein kinases","Other protein kinases","TK: Tyrosine kinase","STE20 family","G protein-coupled rec
eptor kinases (GRKs)","Glycogen synthase kinase (GSK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Casein kinase 1 (CK1) family","Cyclin-dependent kinase (CD
K) family","CAMK-like (CAMKL) family","Death-associated kinase (DAPK) family","CLK family","DMPK family","TKL: Tyrosine kinase-like","Protein kinase A (PKA) family","CAMK1 family","CAMK2 family","Prot
ein kinase D (PKD) family","IKK family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","MSN subfamily","GRK4 subfamily","GSK subfamily","Aurora kinase (Aur) family","Dyrk1 
subfamily","CDK8 subfamily","AMPK subfamily","TAO subfamily","Rho kinase","Leucine-rich repeat kinase (LRRK) family","PAKB subfamily","Abl family","Janus kinase (JakA) family","Type XIV RTKs: RET","Sr
c family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Fak family",
"Ack family","Chromatin modifying enzymes","Nuclear hormone receptors",Atypical,"3.5.1.- Histone deacetylases (HDACs)","Lipid modifying kinases","1H. Liver X receptor-like receptors","STE11 family","D
CAMKL family","RSK family","MAPK-Activated Protein Kinase (MAPKAPK) family","Protein kinase C (PKC) family","Vaccina related kinase (VRK) family","STE7 family","RIO family","1-phosphatidylinositol 4-k
inase family","CASK family","SRPK family","MAST family","Mitogen-activated protein kinases (MAP kinases)","Phosphorylase kinase (PHK) family","Protein kinase G (PKG) family","Myosin Light Chain Kinase
 (MLCK) family","Opsin/rhodopsin kinases","RSK subfamily","MKN subfamily","Eta subfamily","Polo-like kinase (PLK) family","STE20 subfamily","Receptor serine/threonine kinase (RSTK) family","CDK7 subfa
mily","NIMA (never in mitosis gene a)- related kinase (NEK) family","TTK family","RAF family","YSK subfamily","Receptor interacting protein kinase (RIPK) family","RIO1 subfamily","Numb-associated kina
se (NAK) family","KHS subfamily","NKF1 family","Unc-51-like kinase (ULK) family","Casein kinase 2 (CK2) family","MARK subfamily","RIO3 subfamily","FRAY subfamily","JNK subfamily","GEK subfamily","IRE 
family","HIPK subfamily","RIO2 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","NAK family","NuaK subfamily","QIK subfamily","MELK subfamily","Dyrk2 subfamily","MSK subfamily","Mix
ed Lineage Kinase (MLK) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I receptor serine/threonine kinases","Type II receptor serine/threonine kinases","Type XIII RTKs: Ephrin re
ceptor family","TAK1 subfamily"}

> <pathway_reactome>
{"Immune System",Disease,"Cell Cycle","Developmental Biology","Cellular responses to external stimuli","Signal Transduction","Gene expression (Transcription)","Programmed Cell Death","Neuronal System"
,Metabolism,"Innate Immune System","Infectious disease",Mitotic,"Nervous system development","Cellular responses to stress","Signaling by GPCR","Cytokine Signaling in Immune system","Diseases of signa
l transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription",Apoptosis,"Signaling by Non-Receptor Tyrosine Kinases","Tran
smission across Chemical Synapses","Metabolism of lipids","Toll-like Receptor Cascades","Leishmania infection","Mitotic G1 phase and G1/S transition","Axon guidance","Cellular Senescence","HIV Infecti
on","GPCR downstream signalling","SARS-CoV Infections","M Phase","Signaling by Interleukins","Signaling by FGFR in disease","Signaling by WNT in cancer","Signaling by NOTCH1 in Cancer","Signaling by N
TRKs","Generic Transcription Pathway","Caspase activation via extrinsic apoptotic signalling pathway","Signaling by PTK6","Mitotic G2-G2/M phases","Neurotransmitter receptors and postsynaptic signal t
ransmission","Sphingolipid metabolism","Toll Like Receptor 4 (TLR4) Cascade","Parasite infection","G1 Phase","RET signaling","Oxidative Stress Induced Senescence","Host Interactions of HIV factors","G
 alpha (q) signalling events","SARS-CoV-1 Infection","Mitotic Metaphase and Anaphase","Interleukin-2 family signaling","Signaling by FGFR1 in disease","Signaling by AMER1 mutants","Signaling by NOTCH1
 HD+PEST Domain Mutants in Cancer","Signaling by NTRK1 (TRKA)","Transcriptional Regulation by TP53","G0 and Early G1","Caspase activation via Dependence Receptors in the absence of ligand","Semaphorin
 interactions","PTK6 promotes HIF1A stabilization","Signaling by ROBO receptors","G2/M Transition","Activation of NMDA receptors and postsynaptic events","Signaling by NTRK3 (TRKC)","Sphingolipid de n
ovo biosynthesis","MyD88-independent TLR4 cascade","Leishmania phagocytosis","Cyclin D associated events in G1","The role of Nef in HIV-1 replication and disease pathogenesis","SARS-CoV-1 Genome Repli
cation and Transcription","Mitotic Anaphase","Interleukin-15 signaling","FGFR1 mutant receptor activation","Truncations of AMER1 destabilize the destruction complex","Constitutive Signaling by NOTCH1 
HD+PEST Domain Mutants","Activation of TRKA receptors","Regulation of TP53 Activity","Sema4D in semaphorin signaling","Activation of RAC1","Centrosome maturation","Post NMDA receptor activation events
","Activated NTRK3 signals through PI3K","TRIF(TICAM1)-mediated TLR4 signaling","FCGR3A-mediated phagocytosis","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin ad
apters","Replication of the SARS-CoV-1 genome","Separation of Sister Chromatids","Signaling by activated point mutants of FGFR1","NGF-independant TRKA activation","Regulation of TP53 Activity through 
Phosphorylation","Sema4D induced cell migration and growth-cone collapse","Nef and signal transduction","Loss of proteins required for interphase microtubule organization from the centrosome","CREB1 p
hosphorylation through NMDA receptor-mediated activation of RAS signaling","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Nef Mediated CD4 Down-regulation","Loss of Nlp from mitotic centrosom
es","Ras activation upon Ca2+ influx through NMDA receptor","Metabolism of RNA","Vesicle-mediated transport","Muscle contraction","Metabolism of proteins",Autophagy,"Signaling by TGFB family members",
"rRNA processing","Signaling by Hedgehog","Membrane Trafficking","Cardiac conduction","Unfolded Protein Response (UPR)",Macroautophagy,"Post-translational protein modification","Metabolism of carbohyd
rates","MAPK family signaling cascades","Signaling by Rho GTPases","Signaling by KIT in disease","Interferon Signaling","Fcgamma receptor (FCGR) dependent phagocytosis","Signaling by BMP","Apoptotic e
xecution phase","rRNA processing in the nucleus and cytosol","Phospholipid metabolism","Hedgehog 'on' state","trans-Golgi Network Vesicle Budding","Ion homeostasis","IRE1alpha activates chaperones","S
elective autophagy",SUMOylation,"Glycogen metabolism","Clathrin-mediated endocytosis","MAPK1/MAPK3 signaling","RHO GTPase Effectors","G alpha (i) signalling events","Drug resistance of KIT mutants","A
ntiviral mechanism by IFN-stimulated genes","Role of phospholipids in phagocytosis","Interferon alpha/beta signaling","HIV Life Cycle","Mitotic Prophase","Toll Like Receptor 5 (TLR5) Cascade","Apoptot
ic cleavage of cellular proteins","Major pathway of rRNA processing in the nucleolus and cytosol","Transcriptional regulation by RUNX2","PI Metabolism","Golgi Associated Vesicle Biogenesis","EPH-Ephri
n signaling",Mitophagy,"SUMO E3 ligases SUMOylate target proteins","Toll Like Receptor 2 (TLR2) Cascade","Glycogen breakdown (glycogenolysis)","Cargo recognition for clathrin-mediated endocytosis","In
terleukin-1 family signaling","RAF/MAP kinase cascade","Leishmania parasite growth and survival","L1CAM interactions","RHO GTPases activate PAKs","Visual phototransduction","Dasatinib-resistant KIT mu
tants","ISG15 antiviral mechanism","Regulation of IFNA signaling","Late Phase of HIV Life Cycle","Nuclear Envelope Breakdown","MyD88 cascade initiated on plasma membrane","Signalling to ERKs","RUNX2 r
egulates bone development","Synthesis of PIPs at the Golgi membrane","Assembly and cell surface presentation of NMDA receptors","EPHB-mediated forward signaling","Receptor Mediated Mitophagy","EPHA-me
diated growth cone collapse","SUMOylation of intracellular receptors","Toll Like Receptor TLR6:TLR2 Cascade","Interleukin-1 signaling","RAS processing","Anti-inflammatory response favouring Leishmania
 parasite infection","Recycling pathway of L1","The phototransduction cascade","Nuclear Envelope (NE) Reassembly","Transcription of the HIV genome","Activation of NIMA Kinases NEK9",NEK6,NEK7,"MAP kin
ase activation","Prolonged ERK activation events","RUNX2 regulates osteoblast differentiation","Activation of RAC1 downstream of NMDARs","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","CD163 
mediating an anti-inflammatory response","IKK complex recruitment mediated by RIP1",Inactivation,"recovery and regulation of the phototransduction cascade","RSK activation","Initiation of Nuclear Enve
lope (NE) Reformation","HIV Transcription Elongation","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","ARMS-mediated activation","Frs2-mediated activation","MAPK
 targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Tat-mediated elongation of the HIV-1 tra
nscript","Activation of the AP-1 family of transcription factors","CREB phosphorylation","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{JAK1,JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{AB01565782_02,AB0156578202,AB01565782-02,"AB01565782 02",Q7383611,Ruxolitinib,941678-49-5,941678495,"941678 49 5",INCB018424,"Ruxolitinib (INCB018424)",INCB-018424,"INCB 018424",UNII-82S8X8XX8H,UNII8
2S8X8XX8H,"UNII 82S8X8XX8H","Ruxolitinib free base",82S8X8XX8H,INC424,"INCB018424 (Ruxolitinib)",CHEBI:66919,(R)-ruxolitinib,(R)ruxolitinib,"(R) ruxolitinib",C17H,T6156,T1829,S1378,SY-INCB018424,S-Rux
olitinib,(R)-Ruxolitinib,ruxolitinib,"INCB018424  (Ruxolitinib)"}

> <pdid>
PD003235

> <targets>
{JAK1,JAK2,JAK,Apoptosis,Autophagy,Mitophagy}

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

> <pubchem_cids>
{25126798}

$$$$
Broad_2021
  SciTegic11012413022D

 26 29  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1968    1.5003    0.0000 C   0  0
   -5.1993    3.0004    0.0000 C   0  0
   -6.4995    3.7483    0.0000 C   0  0
   -7.7974    2.9963    0.0000 C   0  0
   -7.7950    1.4963    0.0000 C   0  0
   -9.0928    0.7442    0.0000 O   0  0
   -6.4948    0.7483    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -7.7926   -3.0046    0.0000 C   0  0
   -6.4923   -3.7525    0.0000 C   0  0
   -6.4900   -5.2525    0.0000 O   0  0
   -5.1945   -3.0005    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15  9  1  0
  8 16  1  0
 16 17  2  0
 17 18  1  0
 18  6  1  0
 18 19  2  0
 19  2  1  0
 16 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 20  1  0
M  END
> <name>
Broad_2021

> <id>
33656

> <plate>
Plate_1

> <well>
L10

> <supplier_cmpd_name>
TG100-115

> <ctcr_id>
1500

> <supplier_cmpd_id>
TG100-115

> <smiles>
Nc1nc(N)c2nc(c3cccc(O)c3)c(nc2n1)c4cccc(O)c4

> <pd_targets>
{PIK3CA,PIK3CB,PIK3CD,AAK1,COQ8A,DYRK1A,MAP3K7,PIK3CG,EGFR,TNNI3K,ABL1,BRSK1,TYK2,STK16,PRKD3,MKNK2,CSNK1G1,TTK,MAP2K4,BRAF,CLK2,CSNK1A1,BRSK2,SRPK3,MAP3K19,CSNK1D,PTK6,RIOK1,CSNK1A1L,CLK1,ERBB2,LATS2
,GRK4,SRPK1,CSNK1G3,NEK1,PI4KB,PIK3C2G,MTOR,CSNK2A2,ERBB4,JAK1,MAP2K3,RPS6KA1,DYRK2,TAOK3,BMP2K,RIOK2,RIPK4,TAOK1,DYRK1B,RIPK2,MKNK1,CSNK1G2,PIP4K2B,LCK,CLK3,LATS1,RPS6KA6,CLK4,GAK,PIP4K2C,CSNK1E,PIP5
K1C,TRPM6,PIP5K1A,CSNK2A1,PIK3C2B,COQ8B,OXSR1}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transferase,Kinase,"Voltage-gated ion channel","Protein Kinase","Transient receptor potential channel","Other protein kinase group","Atypical protein kinase group","CMGC protein 
kinase group","TKL protein kinase group","TK protein kinase group","CAMK protein kinase group","CK1 protein kinase group","STE protein kinase group","AGC protein kinase group","Other protein kinase NA
K family","CMGC protein kinase DYRK family","TKL protein kinase MLK family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Abl family","CAMK protein kinase CAMK1 family","Tyrosine prot
ein kinase JakA family","CAMK protein kinase PKD family","CAMK protein kinase MAPKAPK family","CK1 protein kinase CK1 family","Other protein kinase TTK family","STE protein kinase STE7 family","TKL pr
otein kinase RAF family","CMGC protein kinase CLK family","CMGC protein kinase SRPK family","STE protein kinase STE11 family","Tyrosine protein kinase Src family","Atypical protein kinase RIO family",
"AGC protein kinase NDR family","AGC protein kinase GRK family","Other protein kinase NEK family","Atypical protein kinase PIKK family","Other protein kinase CK2 family","AGC protein kinase RSK family
","STE protein kinase STE20 family","TKL protein kinase RIPK family","Atypical protein kinase ABC1 family","CMGC protein kinase Dyrk1 subfamily","TKL protein kinase TAK1 subfamily","TKL protein kinase
 HH498 subfamily","CAMK protein kinase BRSK subfamily","CAMK protein kinase MNK subfamily","Atypical protein kinase RIO1 subfamily","CK1 protein kinase CK1-a","AGC protein kinase GRK subfamily","CK1 p
rotein kinase CK1-g","Atypical protein kinase FRAP subfamily","AGC protein kinase RSK subfamily","CMGC protein kinase Dyrk2 subfamily","STE protein kinase TAO subfamily","Atypical protein kinase RIO2 
subfamily","Atypical protein kinase ABC1-A subfamily","STE protein kinase FRAY subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Lipid modifying kinases","Receptor kinases",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependen
t protein kinases","CK1: Casein kinase 1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families",Phosphatidylinositol-4,"5-bisphosphate 3-kinase 
family","Other protein kinases","ABC1 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","CAMK-like (CAMKL) family
","Protein kinase D (PKD) family","MAPK-Activated Protein Kinase (MAPKAPK) family","Casein kinase 1 (CK1) family","STE7 family","CLK family","SRPK family","STE20 family","RIO family","NDR family","G p
rotein-coupled receptor kinases (GRKs)","1-phosphatidylinositol 4-kinase family","Phosphatidylinositol-4-phosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","RSK
 family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","Alpha kinase family","NAK family","ABC1-B
 subfamily","Dyrk1 subfamily","Mixed Lineage Kinase (MLK) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","BRSK subfamily","MKN subfamily","TTK family","RAF family",
"STE20 subfamily","RIO1 subfamily","GRK4 subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","FRAP subfamily","Casein kinase 2 (CK2) family","RSK subfamily","Dyrk2 subfamily","TAO
 subfamily","Numb-associated kinase (NAK) family","RIO2 subfamily","Receptor interacting protein kinase (RIPK) family","ChaK subfamily","FRAY subfamily","TAK1 subfamily","Type I RTKs: ErbB (epidermal 
growth factor) receptor family","HH498 subfamily","Abl family","Janus kinase (JakA) family","Src family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Immune System","Vesicle-mediated transport","Cell Cycle",Metabolism,"Metabolism of RNA","Developmental Biology","Gene expression (Transcription)","Neuronal System","Tra
nsport of small molecules","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","Membrane T
rafficking",Mitotic,"Innate Immune System","Metabolism of lipids","Signaling by GPCR","Infectious disease","rRNA processing","Nervous system development","Signaling by Hippo","RNA Polymerase II Transc
ription","Transmission across Chemical Synapses","Ion channel transport","Signaling by FGFR in disease","Signaling by Insulin receptor","Signaling by Interleukins","Clathrin-mediated endocytosis","Mit
otic G1 phase and G1/S transition","Toll-like Receptor Cascades","Phospholipid metabolism","GPCR downstream signalling","Leishmania infection","Interferon Signaling","Sphingolipid metabolism","Signali
ng by NTRKs","Signaling by WNT in cancer","Mitotic G2-G2/M phases","rRNA processing in the nucleus and cytosol","Axon guidance","Generic Transcription Pathway","Neurotransmitter receptors and postsyna
ptic signal transmission","M Phase","Signaling by FGFR","HIV Infection","trans-Golgi Network Vesicle Budding","Stimuli-sensing channels","Signaling by FGFR1 in disease","Insulin receptor signalling ca
scade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Cargo recognition for clathrin-mediated endocytosis","G0 and Early G1","Toll Like Receptor 4 (TLR4) Cascade","PI Metabolism","G alpha (q) sig
nalling events","Parasite infection","Interferon alpha/beta signaling","Sphingolipid de novo biosynthesis","Toll Like Receptor 5 (TLR5) Cascade","Signaling by NTRK1 (TRKA)","Signaling by AMER1 mutants
","G2/M Transition","G1 Phase","Major pathway of rRNA processing in the nucleolus and cytosol","Semaphorin interactions","G alpha (i) signalling events","Transcriptional Regulation by TP53","Activatio
n of NMDA receptors and postsynaptic events","Antiviral mechanism by IFN-stimulated genes","Mitotic Metaphase and Anaphase","Signaling by FGFR4","Host Interactions of HIV factors","Golgi Associated Ve
sicle Biogenesis","TRP channels","FGFR1 mutant receptor activation","IRS-mediated signalling","Interleukin receptor SHC signaling","MyD88-independent TLR4 cascade","Synthesis of PIPs at the plasma mem
brane","Gastrin-CREB signalling pathway via PKC and MAPK","Leishmania phagocytosis","Regulation of IFNA signaling","MyD88 cascade initiated on plasma membrane","Signalling to ERKs","Truncations of AME
R1 destabilize the destruction complex","Centrosome maturation","Cyclin D associated events in G1","Sema4D in semaphorin signaling","Visual phototransduction","Synthesis of PIPs at the Golgi membrane"
,"Regulation of TP53 Activity","Post NMDA receptor activation events","ISG15 antiviral mechanism","Mitotic Anaphase","Negative regulation of FGFR4 signaling","The role of Nef in HIV-1 replication and 
disease pathogenesis","SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","TRIF(TICAM1)-mediated TLR4 signaling","EGFR Tran
sactivation by Gastrin","FCGR3A-mediated phagocytosis","MAP kinase activation","Prolonged ERK activation events","Loss of proteins required for interphase microtubule organization from the centrosome"
,"Sema4D induced cell migration and growth-cone collapse","The phototransduction cascade","Regulation of TP53 Expression and Degradation","Regulation of TP53 Activity through Phosphorylation","Long-te
rm potentiation","Separation of Sister Chromatids","Spry regulation of FGF signaling","Regulation of TP53 Activity through Acetylation","Nef-mediates down modulation of cell surface receptors by recru
iting them to clathrin adapters","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","TRAF6-mediated induction of TAK1 complex within TLR4 complex","JNK (c-Jun kinases) 
phosphorylation and  activation mediated by activated human TAK1","ARMS-mediated activation","Loss of Nlp from mitotic centrosomes",Inactivation,"recovery and regulation of the phototransduction casca
de","Regulation of TP53 Degradation","activated TAK1 mediates p38 MAPK activation","MAPK targets/ Nuclear events mediated by MAP kinases","PI5P Regulates TP53 Acetylation","Nef Mediated CD4 Down-regul
ation","RSK activation","CREB phosphorylation"}

> <broad_targets>
{PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{G10011,TG100-115,TG100115,677297-51-7,677297517,TG-100115,"3,3'-(2,4-diaminopteridine-6,7-diyl)diphenol","3,3'(2,4diaminopteridine6,7diyl)diphenol","3,3'-(2,4-DIAMINO-6,7-PTERIDINEDIYL)BISPHENOL","3,
3'(2,4DIAMINO6,7PTERIDINEDIYL)BISPHENOL","6,7-Bis(3-hydroxyphenyl)pteridine-2,4-diamine","6,7Bis(3hydroxyphenyl)pteridine2,4diamine","3-(2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl)phenol","3(2,4diam
ino7(3hydroxyphenyl)pteridin6yl)phenol",TG-100-115,UN,T2672,S1352}

> <pdid>
PD003378

> <targets>
{NULL,PI3K}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{10427712}

$$$$
Broad_2021
  SciTegic11012413022D

 65 68  0  0  0  0            999 V2000
    1.9161   10.5654    0.0000 C   0  0
    3.3245   10.0492    0.0000 O   0  0
    3.5827    8.5707    0.0000 C   0  0
    2.4301    7.6108    0.0000 C   0  0
    2.6850    6.1326    0.0000 C   0  0
    4.0927    5.6144    0.0000 C   0  0
    5.2453    6.5743    0.0000 C   0  0
    4.9903    8.0525    0.0000 C   0  0
    6.1429    9.0124    0.0000 O   0  0
    1.5337    5.1698    0.0000 C   0  0
    1.7909    3.6911    0.0000 C   0  0
    3.1995    3.1753    0.0000 C   0  0
    0.6400    2.7300    0.0000 C   0  0
    0.8000    1.1200    0.0000 C   0  0
    2.0600    0.3500    0.0000 C   0  0
    1.8870   -1.1400    0.0000 O   0  0
    3.4300    0.8000    0.0000 C   0  0
    3.8662    2.2352    0.0000 C   0  0
    4.3600   -0.3900    0.0000 C   0  0
    5.8000   -0.4000    0.0000 C   0  0
    6.6151    0.8592    0.0000 C   0  0
    6.4400   -1.8000    0.0000 C   0  0
    7.9345   -1.9281    0.0000 O   0  0
    5.5100   -3.1600    0.0000 C   0  0
    4.0188   -3.2852    0.0000 O   0  0
    3.3799   -4.6424    0.0000 C   0  0
    6.5100   -4.2800    0.0000 C   0  0
    7.9504   -3.8613    0.0000 O   0  0
    6.2500   -5.8600    0.0000 C   0  0
    7.5042   -6.6827    0.0000 C   0  0
    4.8700   -6.7500    0.0000 C   0  0
    3.3400   -6.2300    0.0000 C   0  0
    2.3025   -7.3134    0.0000 C   0  0
    2.7800   -4.7900    0.0000 C   0  0
    1.1200   -4.8600    0.0000 C   0  0
    0.1200   -3.6900    0.0000 C   0  0
   -1.4100   -4.1500    0.0000 C   0  0
   -2.6300   -3.1700    0.0000 C   0  0
   -4.1200   -3.7800    0.0000 C   0  0
   -4.3154   -5.2672    0.0000 C   0  0
   -5.3700   -2.8300    0.0000 C   0  0
   -6.8600   -3.4400    0.0000 C   0  0
   -7.8600   -2.2400    0.0000 C   0  0
   -9.2500   -2.5000    0.0000 C   0  0
  -10.1800   -1.4400    0.0000 C   0  0
   -9.7100    0.0100    0.0000 C   0  0
  -10.7377    1.1027    0.0000 C   0  0
   -8.0800    0.4300    0.0000 C   0  0
   -8.4778    1.8763    0.0000 O   0  0
   -7.2300   -0.9300    0.0000 O   0  0
   -6.6100    0.8600    0.0000 C   0  0
   -5.5855   -0.2356    0.0000 O   0  0
   -6.1000    2.2500    0.0000 C   0  0
   -7.0129    3.4402    0.0000 O   0  0
   -4.5400    2.3900    0.0000 N   0  0
   -5.4800    3.8300    0.0000 C   0  0
   -4.8400    5.2900    0.0000 C   0  0
   -3.4600    5.5000    0.0000 C   0  0
   -2.6400    4.4900    0.0000 C   0  0
   -3.1200    3.1200    0.0000 C   0  0
   -1.9000    2.2900    0.0000 C   0  0
   -1.8545    0.7907    0.0000 O   0  0
   -0.7100    3.2100    0.0000 O   0  0
   -5.1674   -1.3437    0.0000 O   0  0
   -6.3526   -0.4242    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  2  3
 35 36  1  0
 36 37  2  3
 37 38  1  0
 38 39  2  3
 39 40  1  0
 39 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 48 50  1  0
 50 43  1  0
 48 51  1  0
 51 52  2  0
 51 53  1  0
 53 54  2  0
 53 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  1  0
 60 55  1  0
 60 61  1  0
 61 62  2  0
 61 63  1  0
 63 13  1  0
 41 64  1  0
 64 65  1  0
M  END
> <name>
Broad_2021

> <id>
33657

> <plate>
Plate_1

> <well>
M10

> <supplier_cmpd_name>
Rapamycin

> <ctcr_id>
3116

> <supplier_cmpd_id>
Rapamycin

> <smiles>
COC1CC(CCC1O)CC(C)C2CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C(C)C(CC3CCC(C)C(O)(O3)C(=O)C(=O)N4CCCCC4C(=O)O2)OC

> <pd_targets>
{FKBP1B,MAPT,FFP,FTL,TGR,RORC,FKBP1A,MTOR,NR1I2,FKBP5,EIF4E,ATP2A1,PDCD4,CYP2C9,CYP3A4,SLCO1B1,ABCB1,CYP2C19,FGF2}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Unclassified protein","Transcription factor","Other nuclear protein",Transporter,"Secreted protein",Isomerase,Transferase,"Nuclear receptor",Kinase,"Primary active t
ransporter","Cytochrome P450","Electrochemical transporter","Nuclear hormone receptor subfamily 1","Protein Kinase","P-type ATPase","Cytochrome P450 family 2","Cytochrome P450 family 3","SLC superfami
ly of solute carriers","ATP-binding cassette","Nuclear hormone receptor subfamily 1 group F","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group I","Calcium ATPase","Cytochrome
 P450 family 2C","Cytochrome P450 family 3A","SLC21/SLCO family of organic anion transporting polypeptides","ABCB subfamily","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein k
inase PIKK family","Nuclear hormone receptor subfamily 1 group I member 2","Cytochrome P450 2C9","Cytochrome P450 3A4","Cytochrome P450 2C19","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Peptidyl-prolyl cis/trans isomerases","Kinases (EC 2.7.x.x)","P-type ATPases","Cytochrome P450","SLC superfamily of solute carriers","ATP-b
inding cassette transporter family","1F. Retinoic acid-related orphans",Atypical,"1I. Vitamin D receptor-like receptors","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","CYP2 family: drug metabolising s
ubset","CYP3 family","SLCO family of organic anion transporting polypeptides","ABCB subfamily","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Muscle contraction","Neuronal System","Vesicle-mediated transport","Gene expression (Transcription)",Disease,"Metabolism of proteins",Hemostasis,"Immune System",Metabolism,"Cardiac conduction","Tran
smission across Chemical Synapses","Membrane Trafficking","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Post-translational prote
in modification",Translation,"Platelet homeostasis","Cytokine Signaling in Immune system","Biological oxidations","Metabolism of lipids","Abacavir transport and metabolism","Ion homeostasis","Neurotra
nsmitter receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","Signaling by TGF-beta Receptor Complex in Cancer",SUMOylation,"Eukaryoti
c Translation Initiation","Platelet calcium homeostasis","Signaling by Interleukins","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism 
of steroids","Abacavir transmembrane transport","Signaling by FGFR in disease","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis","Transcriptional regulation 
by RUNX3","Loss of Function of TGFBR1 in Cancer","Transcriptional Regulation by TP53","SUMO E3 ligases SUMOylate target proteins","Transcriptional Regulation by MECP2","Cap-dependent Translation Initi
ation","Reduction of cytosolic Ca++ levels","Interleukin-12 family signaling","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Bile acid and bile salt metabolism","Si
gnaling by FGFR3 in disease","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","TGFBR1 LBD Mutants in Cancer","Regulation of TP53 Activity","SUMOylation of in
tracellular receptors","MECP2 regulates neuronal receptors and channels","Activation of the mRNA upon binding of the cap-binding complex and eIFs","and subsequent binding to 43S","Interleukin-12 signa
ling",Xenobiotics,"Biosynthesis of maresins","Recycling of bile acids and salts","Signaling by FGFR3 point mutants in cancer","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression a
nd Degradation","Translation initiation complex formation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","
FGFR3 mutant receptor activation","Regulation of TP53 Degradation","Signaling by activated point mutants of FGFR3"}

> <broad_targets>
{FKBP1A,MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{(RS)-rapamycin,(RS)rapamycin,"Rapamycin (Sirolimus)",28-epi-Rapamycin,28epiRapamycin,253431-35-5,253431355,SpecPlus_000840,SpecPlus000840,SpecPlus-000840,"SpecPlus 000840",DivK1c_006936,DivK1c006936,
DivK1c-006936,"DivK1c 006936","Rapamycin-d3 (Sirolimus-d3)","Rapamycind3 (Sirolimusd3)",CHEMBL3560003,KBio1_001880,KBio1001880,KBio1-001880,"KBio1 001880",HMS3265I15,HMS3265I16,HMS3265J15,HMS3265J16,3
92711-19-2,392711192,MCULE-7980881185,MCULE7980881185,Q27163,"EMD 553210",S1039,A-275,553210,Rapamycin(Sirolimus),Rapamycin}

> <pdid>
PD003274

> <targets>
{mTOR}

> <classes>
{}

> <pubchem_cids>
{5040}

$$$$
Broad_2021
  SciTegic11012413022D

 29 31  0  0  0  0            999 V2000
    5.1937   -3.0093    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2628    2.2303    0.0000 C   0  0
    0.0543    2.9483    0.0000 C   0  0
    0.0910    4.4478    0.0000 C   0  0
    1.4080    5.1658    0.0000 F   0  0
   -1.1893    5.2294    0.0000 C   0  0
   -2.5063    4.5115    0.0000 C   0  0
   -2.5430    3.0119    0.0000 C   0  0
   -3.8601    2.2940    0.0000 F   0  0
   -2.5625   -0.0216    0.0000 S   0  0
   -3.8618   -0.7712    0.0000 O   0  0
   -3.8615    0.7286    0.0000 O   0  0
   -2.5631   -1.5224    0.0000 C   0  0
   -1.2644   -2.2729    0.0000 C   0  0
   -1.2651   -3.7729    0.0000 C   0  0
   -2.5644   -4.5224    0.0000 C   0  0
   -2.5650   -6.0224    0.0000 Cl  0  0
   -3.8631   -3.7719    0.0000 C   0  0
   -3.8625   -2.2719    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  2  0
 18 12  1  0
 18 19  1  0
  9 20  1  0
 20 21  2  0
 20 22  2  0
 20 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 23  1  0
M  END
> <name>
Broad_2021

> <id>
33658

> <plate>
Plate_1

> <well>
N10

> <supplier_cmpd_name>
MK-0752

> <ctcr_id>
3105

> <supplier_cmpd_id>
MK-0752

> <smiles>
OC(=O)CCC1CCC(CC1)(c2cc(F)ccc2F)[S](=O)(=O)c3ccc(Cl)cc3

> <pd_targets>
{PSEN1,APH1A,APH1B,NCSTN,PSEN2,PSENEN}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Other ion channel",Protease,"Miscellaneous ion channel","Aspartic protease","Presenilin ER Ca2+ leak channel family","Aspartic protease AD clan","Aspartic protease A22A subfamil
y","Aspartic protease A22A regulatory subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","AD: Aspartic (A) Peptidases","A22: Presenilin"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","EPH-Ephrin signaling","EPH-ephrin mediated repulsion of cells"}

> <broad_targets>
{}

> <broad_moa>
{"gamma secretase inhibitor"}

> <synonyms>
{MK-0752,MK0752,471905-41-6,471905416,UNII-9JD9B4S53T,UNII9JD9B4S53T,"MK 0752",9JD9B4S53T,952578-68-6,952578686,cc-14,cc14,C21H21ClF2O4S,MLS006011072,SCHEMBL756247,SCHEMBL756248,SCHEMBL756249,CHEMBL33
92635,CHEMBL4205422,SCHEMBL18288908,GTPL11360,DTXSID70915051,HMS3656H09,HMS3884B14,AOB8719,S2660}

> <pdid>
PD003509

> <targets>
{Gamma-secretase,Beta Amyloid,³-secretase}

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

> <pubchem_cids>
{9803433}

$$$$
Broad_2021
  SciTegic11012413022D

 33 37  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
    1.2990    0.7500    0.0000 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
    2.6423   -0.0862    0.0000 C   0  0
    2.7375    1.4107    0.0000 O   0  0
    3.8914   -0.9168    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 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  0
 12 30  1  0
 30  4  1  0
 30  7  1  0
  7 31  1  0
 31 32  1  0
 31 33  2  0
M  END
> <name>
Broad_2021

> <id>
33659

> <plate>
Plate_1

> <well>
O10

> <supplier_cmpd_name>
Betulinic acid

> <ctcr_id>
6767

> <supplier_cmpd_id>
Betulinic acid

> <smiles>
CC(=C)C1CCC2(CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)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>
{"Betulic acid",NSC113090,"Lup-20(29)-en-28-oic acid, 3.beta.-hydroxy-","Lup20(29)en28oic acid, 3.beta.hydroxy","Epibetulinic acid",38736-77-5,38736775,NSC-113090,"Lup-20(29)-en-28-oic acid, 3-hydroxy
-, (3.beta.)-","Lup20(29)en28oic acid, 3hydroxy, (3.beta.)",SCHEMBL4143519,BCP08998,ANW-41504,ANW41504,CB0178,AKOS025295351,LS-15294,LS15294,NCI60_000293,NCI60000293,NCI60-000293,"NCI60 000293",T2830,
S3603,"NSC 113090","Betulinic acid",Mairin}

> <pdid>
PD000747

> <targets>
{Topoisomerase}

> <classes>
{"DNA Damage"}

> <pubchem_cids>
{2371}

$$$$
Broad_2021
  SciTegic11012413022D

 39 40  0  0  1  0            999 V2000
   -1.8201    4.9903    0.0000 C   0  0
   -0.8466    3.8490    0.0000 C   0  0
    0.6283    4.1219    0.0000 C   0  0
   -1.3476    2.4343    0.0000 C   0  0
   -2.8226    2.1614    0.0000 O   0  0
   -0.3800    1.3000    0.0000 C   0  0  1  0  0  0
   -1.7100    0.5300    0.0000 C   0  0
   -3.0081    1.2816    0.0000 O   0  0
   -1.7100   -1.0000    0.0000 C   0  0
   -0.3800   -1.7600    0.0000 C   0  0
   -0.3800   -3.2600    0.0000 O   0  0
    0.9400   -1.0000    0.0000 C   0  0  1  0  0  0
    0.9481   -2.4889    0.0000 C   0  0
    2.2512   -3.2335    0.0000 C   0  0
    2.2588   -4.7343    0.0000 C   0  0
    3.5611   -5.4786    0.0000 C   0  0
    0.9633   -5.4905    0.0000 C   0  0
    2.2700   -0.2300    0.0000 C   0  0
    2.2700    1.3200    0.0000 C   0  0  2  0  0  0
    3.5748    2.0688    0.0000 C   0  0
    3.5798    3.5696    0.0000 C   0  0
    4.8815    4.3166    0.0000 C   0  0
    4.8865    5.8166    0.0000 C   0  0
    6.1783    3.5627    0.0000 C   0  0
    0.9400    2.0800    0.0000 C   0  0  2  0  0  0
   -0.3151    2.9015    0.0000 C   0  0
    2.2411    2.9286    0.0000 C   0  0
    2.0782    4.4206    0.0000 C   0  0
    3.2882    5.3084    0.0000 C   0  0
    3.1253    6.8003    0.0000 C   0  0
    4.3347    7.6877    0.0000 C   0  0
    1.7524    7.4045    0.0000 C   0  0
    0.9400    0.5300    0.0000 C   0  0
   -0.3708   -0.1993    0.0000 O   0  0
   -3.0186   -1.7415    0.0000 C   0  0
   -3.0315   -3.2423    0.0000 C   0  0
   -4.3372   -3.9823    0.0000 C   0  0
   -4.3501   -5.4822    0.0000 C   0  0
   -5.6300   -3.2216    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  6  4  1  1
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 10 12  1  0
 12 13  1  1
 13 14  1  0
 14 15  2  3
 15 16  1  0
 15 17  1  0
 12 18  1  0
 18 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  2  3
 22 23  1  0
 22 24  1  0
 19 25  1  0
 25  6  1  0
 25 26  1  1
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  3
 30 31  1  0
 30 32  1  0
 12 33  1  0
 33  6  1  0
 33 34  2  0
  9 35  1  0
 35 36  1  0
 36 37  2  3
 37 38  1  0
 37 39  1  0
M  END
> <name>
Broad_2021

> <id>
33660

> <plate>
Plate_1

> <well>
P10

> <supplier_cmpd_name>
Hyperforin (dicyclohexylammonium salt)

> <ctcr_id>
8294

> <supplier_cmpd_id>
Hyperforin (dicyclohexylammonium salt)

> <smiles>
CC(C)C(=O)[C@@]12C(=O)C(=C(O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O)CC=C(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{hyperforin,11079-53-1,11079531,hiperforina,hyperforine,UNII-RM741E34FP,UNIIRM741E34FP,CHEBI:5834,RM741E34FP,CHEMBL1237210,"HSDB 7646",(+)-Hyperforin,(+)Hyperforin,Spectrum5_002025,Spectrum5002025,Spe
ctrum5-002025,"Spectrum5 002025",SCHEMBL98723,CHEMBL501711,GTPL2764,"Hyperforin, >=85 (HPLC)",SCHEMBL15557965,DTXSID90891409,BCP06690,C,H1792,"Hyperforin (dicyclohexylammonium salt)"}

> <pdid>
PD015600

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{441298}

$$$$
Broad_2021
  SciTegic11012413022D

 65 72  0  0  1  0            999 V2000
    2.3980    5.1974    0.0000 C   0  0
    1.0617    4.5159    0.0000 C   0  0
   -0.2000    5.2900    0.0000 C   0  0  2  0  0  0
   -0.2341    6.7896    0.0000 O   0  0
   -0.2000    4.0900    0.0000 C   0  0
   -1.2300    3.5100    0.0000 C   0  0
   -2.2500    4.0900    0.0000 C   0  0
   -2.2500    5.2900    0.0000 N   0  0
   -3.9200    5.5000    0.0000 C   0  0
   -5.4100    4.7800    0.0000 C   0  0
   -5.7000    3.1300    0.0000 C   0  0
   -4.9700    1.7900    0.0000 C   0  0
   -6.0100    0.6800    0.0000 N   0  0
   -7.4000    1.3200    0.0000 C   0  0
   -8.8100    0.7400    0.0000 C   0  0
  -10.0200    1.6700    0.0000 C   0  0
   -9.8300    3.1800    0.0000 C   0  0
   -8.4200    3.7700    0.0000 C   0  0
   -7.2000    2.8400    0.0000 C   0  0
   -3.3800    1.2800    0.0000 C   0  0  1  0  0  0
   -1.8700    1.9700    0.0000 C   0  0
   -4.3011    0.1350    0.0000 C   0  0
   -5.7734    0.4218    0.0000 O   0  0
   -3.8135   -1.2844    0.0000 O   0  0
   -4.7977   -2.4164    0.0000 C   0  0
   -2.3301    0.2513    0.0000 C   0  0
   -2.7110   -1.1720    0.0000 C   0  0
   -1.6165   -2.2180    0.0000 C   0  0
   -0.2693   -1.8150    0.0000 C   0  0
    0.1414   -0.3694    0.0000 C   0  0
   -0.9061    0.6597    0.0000 C   0  0
   -0.5303    2.1129    0.0000 O   0  0
    0.4332    2.3808    0.0000 C   0  0
    0.6269   -3.0200    0.0000 N   0  0
    2.1244   -3.0533    0.0000 C   0  0
    2.8460   -4.3683    0.0000 O   0  0
   -0.2779   -4.1651    0.0000 C   0  0  1  0  0  0
   -0.0140   -5.6041    0.0000 C   0  0  2  0  0  0
    1.0936   -4.5926    0.0000 O   0  0
   -1.1529   -6.6124    0.0000 C   0  0  2  0  0  0
   -0.8799   -8.0880    0.0000 O   0  0
    0.5342   -8.5906    0.0000 C   0  0
    1.2952   -7.9418    0.0000 C   0  0
    0.8068  -10.0656    0.0000 O   0  0
   -2.5335   -6.1188    0.0000 C   0  0  2  0  0  0
   -2.2630   -7.5946    0.0000 C   0  0
   -3.0242   -8.2431    0.0000 C   0  0
   -3.6287   -7.0542    0.0000 C   0  0
   -5.0406   -6.5494    0.0000 C   0  0
   -5.3459   -4.5824    0.0000 C   0  0
   -4.0445   -3.8623    0.0000 N   0  0
   -3.7291   -2.4358    0.0000 C   0  0
   -2.2452   -2.2939    0.0000 C   0  0
   -1.6741   -3.6659    0.0000 C   0  0  2  0  0  0
   -2.8019   -4.6427    0.0000 C   0  0  2  0  0  0
    0.2302   -7.0636    0.0000 C   0  0
    1.1755   -7.3898    0.0000 O   0  0
   -0.9029   -8.0479    0.0000 O   0  0
   -0.6181   -9.5206    0.0000 C   0  0
   -1.2300    5.8900    0.0000 C   0  0
    8.2352    0.9101    0.0000 O   0  0
    8.2352   -0.5899    0.0000 S   0  0
    8.2352   -2.0899    0.0000 O   0  0
    6.9359   -1.3395    0.0000 O   0  0
    9.5344   -1.3395    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 14  1  0
 12 20  1  0
 20 21  1  0
 21  6  1  0
 20 22  1  1
 22 23  2  0
 22 24  1  0
 24 25  1  0
 20 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 31 32  1  0
 32 33  1  0
 29 34  1  0
 34 35  1  0
 35 36  2  0
 37 34  1  1
 37 38  1  0
 38 39  1  6
 38 40  1  0
 40 41  1  6
 41 42  1  0
 42 43  1  0
 42 44  2  0
 40 45  1  0
 45 46  1  1
 46 47  1  0
 45 48  1  0
 48 49  2  3
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 53  1  0
 54 53  1  6
 54 28  1  0
 54 37  1  0
 54 55  1  0
 55 45  1  0
 55 51  1  6
 38 56  1  0
 56 57  2  0
 56 58  1  0
 58 59  1  0
  8 60  1  0
 60  3  1  0
 61 62  1  0
 62 63  1  0
 62 64  2  0
 62 65  2  0
M  END
> <name>
Broad_2021

> <id>
33661

> <plate>
Plate_1

> <well>
A11

> <supplier_cmpd_name>
Vincristine sulfate

> <ctcr_id>
1207

> <supplier_cmpd_id>
Vincristine sulfate

> <smiles>
CC[C@]1(O)CC2CN(CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@H]7[C@](O)([C@H](OC(C)=O)[C@]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC)C1.O[S](O)(=O)=O

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

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

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

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

> <broad_targets>
{TUBA4A,TUBB}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{"Vincristine sulfate",2068-78-2,2068782,SR-05000001799,SR05000001799,HMS2093B22,Pharmakon1600-01505672,Pharmakon160001505672,NSC759174,CCG-213504,CCG213504,NSC-759174,SR-05000001799-1,SR050000017991,
SR-05000001799-2,SR050000017992,T1270,1505672,"VINCRISTINE SULFATE"}

> <pdid>
PD003310

> <targets>
{}

> <classes>
{antineoplastic}

> <pubchem_cids>
{9832825}

$$$$
Broad_2021
  SciTegic11012413022D

 21 22  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 N   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -3.9043   -5.2443    0.0000 C   0  0
   -5.2060   -5.9898    0.0000 C   0  0
   -5.2111   -7.4898    0.0000 C   0  0
   -3.9147   -8.2443    0.0000 C   0  0
   -2.6131   -7.4988    0.0000 C   0  0
   -1.3167   -8.2533    0.0000 Br  0  0
   -0.0031    3.0008    0.0000 N   0  3
    1.2946    3.7531    0.0000 O   0  5
   -1.3032    3.7490    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
  4 19  1  0
 19 20  1  0
 19 21  2  0
M  CHG  2  19   1  20  -1
M  END
> <name>
Broad_2021

> <id>
33662

> <plate>
Plate_1

> <well>
B11

> <supplier_cmpd_name>
SB225002

> <ctcr_id>
8207

> <supplier_cmpd_id>
SB225002

> <smiles>
Oc1cc(ccc1NC(=O)Nc2ccccc2Br)[N+]([O-])=O

> <pd_targets>
{CXCR2,KMT2A,MEN1,CXCR1}

> <pathway_gtopdb>
{"Membrane receptor","Epigenetic regulator","Family A G protein-coupled receptor",Reader,"Peptide receptor (family A GPCR)",Bromodomain,"Chemokine receptor","CXC chemokine receptor"}

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

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Peptide ligand-binding receptors","Chemokine receptors bind chemokines"}

> <broad_targets>
{CXCR2}

> <broad_moa>
{"CC chemokine receptor antagonist"}

> <synonyms>
{182498-32-4,182498324,"sb 225002",SB225002,SB-225002,1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea,1(2bromophenyl)3(2hydroxy4nitrophenyl)urea,N-(2-Bromophenyl)-N'-(2-hydroxy-4-nitrophenyl)urea,N(
2Bromophenyl)N'(2hydroxy4nitrophenyl)urea,CHEMBL239767,MFCD00954637,C13H10BrN3O4,1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea.,1(2bromophenyl)3(2hydroxy4nitrophenyl)urea.,Urea,N-(2-bro,N(2bro,T19
55,2725,S7651,"SB 225002"}

> <pdid>
PD003397

> <targets>
{CXCR}

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

> <pubchem_cids>
{3854666}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33663

> <plate>
Plate_1

> <well>
C11

> <supplier_cmpd_name>
Bax channel blocker

> <ctcr_id>
8353

> <supplier_cmpd_id>
Bax channel blocker

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 22 22  0  0  0  0            999 V2000
   12.0558    3.5776    0.0000 H   0  3
    9.5558    3.5776    0.0000 Br  0  5
    6.5152    8.6544    0.0000 C   0  0
    6.0519    7.2277    0.0000 C   0  0
    7.0558    6.1132    0.0000 C   0  0
    6.5925    4.6865    0.0000 C   0  0
    5.1253    4.3743    0.0000 C   0  0
    4.1214    5.4890    0.0000 C   0  0
    4.5847    6.9156    0.0000 C   0  0
    4.6588    2.9478    0.0000 C   0  0
    5.6608    1.8315    0.0000 O   0  0
    3.1904    2.6376    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    5.1065    0.0000    0.0000 N   0  0
    2.7248   -1.2135    0.0000 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  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  3
 18 13  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
Broad_2021

> <id>
33664

> <plate>
Plate_1

> <well>
D11

> <supplier_cmpd_name>
Pifithrin-± (hydrobromide)

> <ctcr_id>
4881

> <supplier_cmpd_id>
Pifithrin-± (hydrobromide)

> <smiles>
[H+].[Br-].Cc1ccc(cc1)C(=O)CN2C(=N)SC3=C2CCCC3

> <pd_targets>
{HSD17B10,SMN1,TSHR,MAPT,TP53,ALOX15,LEF,ALDH1A1,RORC,MAPK1,KMT2A,MEN1,CYP3A4,CYP1B1,CYP1A1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Other cytosolic protein","Transcription factor",Oxidoreductase,Reader,"Family A G protein-coupled receptor",Protease,"Nuclear receptor",Kinase,"Cyto
chrome P450","Methyl-lysine/arginine binding protein","Peptide receptor (family A GPCR)","Metallo protease","Nuclear hormone receptor subfamily 1","Protein Kinase",Bromodomain,"Cytochrome P450 family 
3","Cytochrome P450 family 1","Tudor domain","Glycohormone receptor","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Cytochrome P450 family 3A",
"Cytochrome P450 family 1B","Cytochrome P450 family 1A","Metallo protease M34 family","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cytochrome P450 3A4","C
ytochrome P450 1B1","Cytochrome P450 1A1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Eicosanoid turnover","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Glycoprotein hormone receptors",Lipoxygenases,"1F. Retinoic
 acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","CYP1 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Metabolism of RNA",Disease,"Neuronal System","Cell Cycle","Gene expression (Transcription)","Immune System","Metabolism of amino acids and derivatives","Metabolism of non-coding RNA","Inf
ectious disease","Transmission across Chemical Synapses","Cell Cycle Checkpoints","Metabolism of lipids","Biological oxidations","RNA Polymerase II Transcription","Innate Immune System","Branched-chai
n amino acid catabolism","snRNP Assembly","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","G1/S DNA Damage Checkpoints","Biosynthesis of specialized proresolvi
ng mediators (SPMs)","Uptake and actions of bacterial toxins","Phase I - Functionalization of compounds","Generic Transcription Pathway","Toll-like Receptor Cascades","Leishmania parasite growth and s
urvival","Activation of NMDA receptors and postsynaptic events","p53-Dependent G1/S DNA damage checkpoint","Biosynthesis of DPA-derived SPMs","Uptake and function of anthrax toxins","Ethanol oxidation
","Transcriptional regulation by RUNX3","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Anti-inflammatory response favouring Le
ishmania parasite infection","Post NMDA receptor activation events","p53-Dependent G1 DNA Damage Response","Biosynthesis of DPAn-3 SPMs","RUNX3 Regulates Immune Response and Cell Migration","MyD88 cas
cade initiated on plasma membrane","Biosynthesis of maresins","Endogenous sterols",Xenobiotics,"ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Stab
ilization of p53","Biosynthesis of DPAn-3-derived protectins and resolvins","MAP kinase activation","Biosynthesis 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>
{TP53}

> <broad_moa>
{"TP53 inhibitor"}

> <synonyms>
{"Pifithrin-± (hydrobromide)",Pifithrin-±,Pifithrin-alpha,Pifithrinalpha,63208-82-2,63208822,"Pifithrin-alpha hydrobromide","Pifithrinalpha hydrobromide",PFT-alpha,PFTalpha,UNII-D213B92S1Y,UNIID213B92
S1Y,"Pifithrin-alpha (hydrobromide)","Pifithrinalpha (hydrobromide)","Pifithrin-|A (PFT|A)","Pifithrin|A (PFT|A)",CHEMBL556353,D213B92S1Y,MFCD00417851,"pifithrin alpha",Pifithrin-,Pifithrin,"Pifithrin
-|A (PFT|A) HBr","Pifithrin|A (PFT|A) HBr","Pifithrin hydro",T2707,1267,13326,S2929,Pifithrin-±,"Pifithrin-&alpha; hydrobromide","Pifithrin-? (PFT?)","Pifithrin-alpha (PFTalpha)",Pifithrin-± (hydrobro
mide)}

> <pdid>
PD003370

> <targets>
{Autophagy,p53,Aryl Hydrocarbon Receptor,Ferroptosis,MDM-2/p53}

> <classes>
{Apoptosis,Immunology/Inflammation}

> <pubchem_cids>
{9929138,57458948}

$$$$
Broad_2021
  SciTegic11012413022D

 12 12  0  0  0  0            999 V2000
    5.1978   -4.5012    0.0000 N   0  0
    5.1983   -3.0012    0.0000 S   0  0
    6.4978   -2.2520    0.0000 O   0  0
    6.4970   -3.7518    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
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  3  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
M  END
> <name>
Broad_2021

> <id>
33665

> <plate>
Plate_1

> <well>
E11

> <supplier_cmpd_name>
Pifithrin-mu

> <ctcr_id>
2651

> <supplier_cmpd_id>
Pifithrin-mu

> <smiles>
N[S](=O)(=O)C#Cc1ccccc1

> <pd_targets>
{RORC,MTOR}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Nuclear receptor",Kinase,"Nuclear hormone receptor subfamily 1","Protein Kinase","Nuclear hormone receptor subfamily 1 group F","Atypical protein kinase group","Nuclear
 hormone receptor subfamily 1 group F member 3","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","1F. Retinoic acid-related orphans",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX3","Transcriptional Regulation by TP53","RUNX3 Regulates Immune 
Response and Cell Migration","Regulation of TP53 Activity","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{HSPA1A,TP53}

> <broad_moa>
{"HSP inhibitor"}

> <synonyms>
{Pifithrinmu,64984-31-2,64984312,2-Phenylethynesulfonamide,2Phenylethynesulfonamide,Pifithrin-|I,Pifithrin|I,2-phenylacetylenesulfonamide,2phenylacetylenesulfonamide,Pifithrin-micro,Pifithrinmicro,phe
nylethynesulfonamide,NSC303580,"Phenylethynsulfonic Acid Amide","NSC 303580",2-phenylethyne-1-sulfonamide,2phenylethyne1sulfonamide,PFTmu;2-Phenylethynesulfonamide,PFTmu;2Phenylethynesulfonamide,T6210
,P0122,S2930,Pifithrin-¼,pifithrin-mu,Pifithrin-?,Pifithrin-mu}

> <pdid>
PD002601

> <targets>
{p53,Autophagy,HSP,MDM-2/p53}

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

> <pubchem_cids>
{327653}

$$$$
Broad_2021
  SciTegic11012413022D

 29 31  0  0  0  0            999 V2000
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -6.4842    5.2598    0.0000 C   0  0
   -6.4790    6.7598    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 O   0  0
   -2.6109   -7.4988    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 18 20  1  0
 20 21  3  0
 12 22  2  0
 22  8  1  0
 22 23  1  0
 23 24  2  0
 24  6  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
M  END
> <name>
Broad_2021

> <id>
33666

> <plate>
Plate_1

> <well>
F11

> <supplier_cmpd_name>
Erlotinib

> <ctcr_id>
2421

> <supplier_cmpd_id>
Erlotinib

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

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

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

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

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

> <broad_targets>
{EGFR,NR1I2}

> <broad_moa>
{"EGFR inhibitor"}

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

> <pdid>
PD003356

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

> <classes>
{}

> <pubchem_cids>
{176870}

$$$$
Broad_2021
  SciTegic11012413022D

 20 19  0  0  0  0            999 V2000
    7.5987    1.5801    0.0000 H   0  3
    5.0987    1.5801    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.9492    0.8772    0.0000 O   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -6.4441    1.8282    0.0000 C   0  0
   -7.0500    0.4561    0.0000 O   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.8190    4.6599    0.0000 O   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -1.3214    2.4906    0.0000 F   0  0
   -3.0655    4.4450    0.0000 F   0  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  3
 10  4  1  0
  8 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
 16 18  1  0
 18 11  1  0
 18 19  1  0
 18 20  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
Broad_2021

> <id>
33667

> <plate>
Plate_1

> <well>
G11

> <supplier_cmpd_name>
Gemcitabine hydrochloride

> <ctcr_id>
3006

> <supplier_cmpd_id>
Gemcitabine hydrochloride

> <smiles>
[H+].[Cl-].NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2(F)F

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

> <pathway_gtopdb>
{Enzyme,Transferase,Oxidoreductase}

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

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

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

> <broad_moa>
{"ribonucleotide reductase inhibitor"}

> <synonyms>
{122111-05-1,122111051,MFCD01735988,NSC-613327,NSC613327,SCHEMBL6685259,CHEMBL1982111,"1'-Epi Gemcitabine (hydrochloride)","1'Epi Gemcitabine (hydrochloride)",CG0033,AKOS015895121,MCULE-7666376311,MCU
LE7666376311,"Gemcitabine (alpha-Isomer) Hydrochloride","Gemcitabine (alphaIsomer) Hydrochloride",AK-94770,AK94770,SY014538,FT-0626640,FT0626640,FT-0667898,FT0667898,A804,613327,"NSC 613327","Gemcitab
ine hydrochloride"}

> <pdid>
PD003524

> <targets>
{}

> <classes>
{Antimetabolite}

> <pubchem_cids>
{356653,75069226}

$$$$
Broad_2021
  SciTegic11012413022D

 40 43  0  0  1  0            999 V2000
    6.3990   -6.3774    0.0000 Cl  0  0
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 O   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -5.1961   -7.5000    0.0000 C   0  0  2  0  0  0
   -6.4764   -6.7185    0.0000 O   0  0
   -3.8971   -8.2500    0.0000 C   0  0
   -2.5980   -7.5000    0.0000 C   0  0  2  0  0  0
   -1.2998   -8.2531    0.0000 O   0  0
   -1.3019   -9.7539    0.0000 C   0  0  1  0  0  0
   -0.0055  -10.5085    0.0000 C   0  0
   -0.0107  -12.0085    0.0000 C   0  0  2  0  0  0
    1.2858  -12.7630    0.0000 N   0  0
   -1.3123  -12.7540    0.0000 C   0  0  2  0  0  0
   -1.3175  -14.2540    0.0000 O   0  0
   -2.6087  -11.9995    0.0000 C   0  0  2  0  0  0
   -3.9104  -12.7450    0.0000 C   0  0
   -2.6036  -10.4995    0.0000 O   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1596   -8.9800    0.0000 C   0  0
   -6.4587   -9.7299    0.0000 O   0  0
   -3.8602   -9.7310    0.0000 C   0  0
   -3.8599  -11.2310    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  0
 19 20  1  1
 21 20  1  1
 21 22  1  0
 22 23  1  0
 23 24  1  6
 23 25  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  6
 27 29  1  0
 29 21  1  0
 19 30  1  0
 30 14  2  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 33 11  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36  4  1  0
 36  8  2  0
 16 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
M  END
> <name>
Broad_2021

> <id>
33668

> <plate>
Plate_1

> <well>
H11

> <supplier_cmpd_name>
Doxorubicin (hydrochloride)

> <ctcr_id>
4056

> <supplier_cmpd_id>
Doxorubicin (hydrochloride)

> <smiles>
Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO

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

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

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

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

> <broad_targets>
{CHD1,TOP2A}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{"Doxorubicin Hydrochloride",25316-40-9,25316409,"Doxorubicin HCl","ADRIAMYCIN HYDROCHLORIDE",Adriacin,Adriblastina,Rubex,"Doxorubicin (Adriamycin) HCl","Doxorubicin (hydrochloride)","ADRIAMYCIN, HYDR
OCHLORIDE","Hydroxydaunorubicin hydrochloride",UNII-,UNII,SAM001246768,Prestw-438,CPD000058570,"Doxorubicin hydrochloride"}

> <pdid>
PD000383

> <targets>
{ADC Cytotoxin,AMPK,Antibiotic,Apoptosis,Autophagy,Bacterial,HBV,HIV,Mitophagy,Topoisomerase}

> <classes>
{Antibody-drug Conjugate/ADC Related,Anti-infection,Apoptosis,Autophagy,Cell Cycle/DNA Damage,Epigenetics,PI3K/Akt/mTOR}

> <pubchem_cids>
{11387649,443939,657367}

$$$$
Broad_2021
  SciTegic11012413022D

 34 38  0  0  1  0            999 V2000
    7.7938   -3.0046    0.0000 C   0  0
    6.4946   -3.7543    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8888   -5.2533    0.0000 C   0  0
    2.5875   -5.9994    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0007    0.0000 N   0  0
   -3.8959    3.7529    0.0000 C   0  0
   -3.8936    5.2529    0.0000 C   0  0
   -2.5933    6.0009    0.0000 O   0  0
   -1.2955    5.2488    0.0000 C   0  0
   -1.2979    3.7488    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 N   0  0
   -5.1993   -3.0005    0.0000 C   0  0
   -6.4995   -3.7484    0.0000 C   0  0  2  0  0  0
   -6.5019   -5.2484    0.0000 C   0  0
   -7.7973   -2.9963    0.0000 O   0  0
   -7.7950   -1.4963    0.0000 C   0  0  2  0  0  0
   -9.0928   -0.7443    0.0000 C   0  0
   -6.4947   -0.7484    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 17 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  6
 28 30  1  0
 30 31  1  0
 31 32  1  6
 31 33  1  0
 33 26  1  0
 15 34  2  0
 34 11  1  0
M  END
> <name>
Broad_2021

> <id>
33669

> <plate>
Plate_1

> <well>
I11

> <supplier_cmpd_name>
KU 0063794

> <ctcr_id>
7122

> <supplier_cmpd_id>
KU 0063794

> <smiles>
COc1ccc(cc1CO)c2ccc3c(nc(nc3N4CCOCC4)N5C[C@H](C)O[C@H](C)C5)n2

> <pd_targets>
{KCNH2,MTOR,PIK3CD,PIK3CA,MLST8,RPTOR,MAPKAP1,RICTOR}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Voltage-gated ion channel",Kinase,Transferase,"Potassium channels","Protein Kinase","Voltage-gated potassium channel","Atypical protein kinase group","Atypical protein kinase PI
KK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Voltage-gated ion channels","Kinases (EC 2.7.x.x)","Potassium channels",Atypical,"Lipid modifying kinases","Voltage-gated potassium channels","Phosphatidyl inositol 3' kinase-
related kinases (PIKK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","FRAP subfamily"}

> <pathway_reactome>
{"Muscle contraction","Gene expression (Transcription)","Immune System",Disease,"Cardiac conduction","RNA Polymerase II Transcription","Cytokine Signaling in Immune system","Diseases of signal transdu
ction by growth factor receptors and second messengers","Phase 3 - rapid repolarisation","Generic Transcription Pathway","Signaling by Interleukins","Signaling by FGFR in disease","Transcriptional Reg
ulation by TP53",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Signaling by FGFR1 in disease","Regulation of TP53 Activity","Interleukin receptor SHC signaling","FGFR1 mutant receptor activation
","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{U006379,Ku-0063794,Ku0063794,938440-64-3,938440643,KU0063794,"KU 0063794",KU-63794,KU63794,UNII-81HJG228AB,UNII81HJG228AB,"Ku 63794",81HJG228AB,CHEMBL1078983,CHEBI:85572,C25H31N5O4,Ku63794,PubChem224
75,cc-34,cc34,MLS006011007,SCHEMBL290211,GTPL9360,AMY2729,AOB3533,DTXSID50239782,EX-A045,EXA045,SYN1050,ACT0,S1226,KU-0063794}

> <pdid>
PD003367

> <targets>
{mTOR}

> <classes>
{}

> <pubchem_cids>
{16736978}

$$$$
Broad_2021
  SciTegic11012413022D

 18 19  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1047   -0.0031    0.0000 N   0  0
   -5.8532   -1.3040    0.0000 C   0  0
   -5.1009   -2.6017    0.0000 O   0  0
   -7.3541   -1.3071    0.0000 O   0  0
   -8.1022   -2.6072    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 10 16  2  0
 16 17  1  0
 17  8  1  0
 17 18  2  0
 18  5  1  0
M  END
> <name>
Broad_2021

> <id>
33670

> <plate>
Plate_1

> <well>
J11

> <supplier_cmpd_name>
Parbendazole

> <ctcr_id>
1011

> <supplier_cmpd_id>
Parbendazole

> <smiles>
CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1

> <pd_targets>
{HIF1A,TSHR,CYP2D6,LMNA,LEF,CYP1A2}

> <pathway_gtopdb>
{"Transcription factor","Membrane receptor",Enzyme,"Other nuclear protein","Family A G protein-coupled receptor","Cytochrome P450",Protease,"Peptide receptor (family A GPCR)","Cytochrome P450 family 2
","Metallo protease","Cytochrome P450 family 1","Glycohormone receptor","Cytochrome P450 family 2D","Metallo protease MAE clan","Cytochrome P450 family 1A","Cytochrome P450 2D6","Metallo protease M34 
family","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Cytochrome P450","Glycoprotein hormone receptors","CYP2 family: drug metabolising subset","CYP1 family"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Disease,Metabolism,"Cell Cycle","Cellular responses to stress","Infectious disease","Biological oxidations",Mitotic,"Cellular response to hypoxia","Leishmania
 infection","Phase I - Functionalization of compounds","M Phase","Uptake and actions of bacterial toxins","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Leishmania parasit
e growth and survival","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Uptake and function of anthrax toxins","Anti-inflammatory response favouring Leishmania parasite
 infection",Xenobiotics,"Mitotic Anaphase","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-d
ealkylated by CYP1A2","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RESTW111,Parbendazole,14255-87-9,14255879,Helmatac,"Worm Guard","Methyl (5-butyl-1H-benzo(d)imidazol-2-yl)carbamate","Methyl (5butyl1Hbenzo(d)imidazol2yl)carbamate",Verminum,"SKF 29044",Helatac,PBDZ,
"SK&F 29044",UNII-N4X8WVX2UG,UNIIN4X8WVX2UG,"methyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate","methyl N(6butyl1Hbenzimidazol2yl)carbamate","Carbamic acid",(5-butyl-1H-be,(5butyl1Hbe,PH009945,Prestw-1
110,parbendazole}

> <pdid>
PD003573

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{26596}

$$$$
Broad_2021
  SciTegic11012413022D

 22 24  0  0  0  0            999 V2000
    6.4451   -1.8434    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2010   -3.2956    0.0000 O   0  0
    2.7343   -2.9815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    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 C   0  0
    5.5233    4.9032    0.0000 S   0  0
    6.9808    5.2579    0.0000 N   0  0
    4.4877    5.9884    0.0000 O   0  0
    5.9451    6.3427    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 10  1  0
 10 11  2  0
 11  6  1  0
  5 12  1  0
 12  2  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 19 21  2  0
 19 22  2  0
M  END
> <name>
Broad_2021

> <id>
33671

> <plate>
Plate_1

> <well>
K11

> <supplier_cmpd_name>
Valdecoxib

> <ctcr_id>
222

> <supplier_cmpd_id>
Valdecoxib

> <smiles>
Cc1onc(c2ccccc2)c1c3ccc(cc3)[S](N)(=O)=O

> <pd_targets>
{CA1,CA9,NCE103,PTGS1,CA2,PTGS2,CA4,CA12,MT-CO2,LMNA,RAB2A,RAC1,CA5B,CA13,MTCA2,CA3,CA6,CYP3A4,MTCA1,CDC42,CA7,CA5A,1272966,CA15,MT-CO1,RAB7A,CA14,SLC6A2}

> <pathway_gtopdb>
{Enzyme,Transporter,"Other nuclear protein",Lyase,Oxidoreductase,"Primary active transporter",Hydrolase,"Cytochrome P450","Electrochemical transporter","Oxidoreduction-driven transporters","Cytochrome
 P450 family 3","SLC superfamily of solute carriers","Cytochrome P450 family 3A","SLC06 neurotransmitter transporter family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Transporters,"Carbonic anhydrases","Eicosanoid turnover","Cytochrome P450","SLC superfamily of solute carriers",Cyclooxygenase,"CYP3 family","SLC6 neurotransmitter transporter family","Monoam
ine transporter subfamily"}

> <pathway_reactome>
{"Immune System","Cellular responses to external stimuli",Metabolism,"Transport of small molecules","Gene expression (Transcription)","Cell Cycle","Developmental Biology",Disease,"Cytokine Signaling i
n Immune system","Cellular responses to stress","Metabolism of lipids","O2/CO2 exchange in erythrocytes","Reversible hydration of carbon dioxide","RNA Polymerase II Transcription",Mitotic,"Nervous sys
tem development","Infectious disease","Disorders of transmembrane transporters","Signaling by Interleukins","Cellular response to hypoxia","Fatty acid metabolism","Erythrocytes take up carbon dioxide 
and release oxygen","Biosynthesis of specialized proresolving mediators (SPMs)","Generic Transcription Pathway","M Phase","Axon guidance","Leishmania infection","Infection with Mycobacterium tuberculo
sis","SLC transporter disorders","Interleukin-12 family signaling","Regulation of gene expression by Hypoxia-inducible Factor","Arachidonic acid metabolism","Biosynthesis of DPA-derived SPMs","Transcr
iptional Regulation by TP53","Mitotic Metaphase and Anaphase","Mitotic Prophase","Semaphorin interactions","Biosynthesis of DHA-derived SPMs","Parasite infection","Response of Mtb to phagocytosis","De
fective SLC6A2 causes orthostatic intolerance (OI)","Interleukin-12 signaling","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Biosynthesis of DPAn-3 SPMs","TP53 Regulates Metabolic Genes","
Mitotic Anaphase","Golgi Cisternae Pericentriolar Stack Reorganization","Sema4D in semaphorin signaling","Biosynthesis of maresins","Leishmania phagocytosis","Suppression of phagosomal maturation","Ge
ne and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Nuclear Envelope (NE) Reassembly","Sema4D mediated inhibition of cell attachment and migration","Biosynthesis of mare
sin-like SPMs","FCGR3A-mediated phagocytosis","Prevention of phagosomal-lysosomal fusion","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CA12,PTGS2}

> <broad_moa>
{"cyclooxygenase inhibitor"}

> <synonyms>
{HMS3372D12,HMS3393P07,HMS3652I04,HMS3715L18,Valdecoxib,181695-72-7,181695727,Bextra,4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide,4(5methyl3phenylisoxazol4yl)benzenesulfonamide,"SC 65872",SC-6
5872,SC65872,Valdyn,4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide,4(5Methyl3phenyl4isoxazolyl)benzenesulfonamide,Kudeq,Benzenesulfonamide,4-(5-methy,4(5methy,T0219,PZ0179,SAM001246603,1504302,v
aldecoxib,CPD000466327,VALDECOXIB}

> <pdid>
PD002956

> <targets>
{}

> <classes>
{"COX-2 inhibitor",antiinflammatory}

> <pubchem_cids>
{119607}

$$$$
Broad_2021
  SciTegic11012413022D

 28 29  0  0  1  0            999 V2000
   -1.3047   -9.7581    0.0000 C   0  0
   -1.3042   -8.2581    0.0000 C   0  0
   -2.6033   -7.5081    0.0000 C   0  0
   -0.0047   -7.5072    0.0000 C   0  0
   -0.0043   -6.0064    0.0000 C   0  0  2  0  0  0
    1.2952   -5.2556    0.0000 N   0  0
    1.2956   -3.7547    0.0000 C   0  0
   -0.0034   -3.0048    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    2.5973   -1.5030    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8935   -3.7569    0.0000 N   0  0
    3.8914   -5.2577    0.0000 C   0  0
    2.5911   -6.0055    0.0000 O   0  0
    5.1896   -6.0107    0.0000 C   0  0
    5.1898   -7.5108    0.0000 C   0  0
    6.4888   -8.2607    0.0000 N   0  0
    7.7878   -7.5107    0.0000 C   0  0
    7.7878   -6.0107    0.0000 C   0  0
    6.4888   -5.2607    0.0000 N   0  0
   -1.3025   -5.2533    0.0000 B   0  0
   -1.3004   -3.7533    0.0000 O   0  0
   -2.6029   -6.0011    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  1
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
  9 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
  5 26  1  0
 26 27  1  0
 26 28  1  0
M  END
> <name>
Broad_2021

> <id>
33672

> <plate>
Plate_1

> <well>
L11

> <supplier_cmpd_name>
Bortezomib

> <ctcr_id>
2910

> <supplier_cmpd_id>
Bortezomib

> <smiles>
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O

> <pd_targets>
{ELANE,CTSG,CMA1,PSMB8,PSMB1,ADRM1,PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB10,PSMB11,PSMB2,PSMB3,PSMB4,PSMB5,PSMB6,PSMB7,PSMB9,PSMC1,PSMC2,PSMC3,PSMC4,PSMC5,PSMC6,PSMD1,PSMD11,PSMD12,PSMD1
3,PSMD14,PSMD2,PSMD3,PSMD4,PSMD6,PSMD7,PSMD8,SEM1,CTSA,CA7,MTCA1,CA5A,CA1,CA3,CA5B,CA14,CA2,CA12,F2,CA4,CTRB1,CA9,CA13,CA6,CA15,NFKB1,NFKB2,RELA}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Protease,Lyase,Hydrolase,"Serine protease","Threonine protease","Metallo protease","Serine protease PA clan","Threonine protease PBT clan","Metallo protease MP clan",
"Serine protease SC clan","Serine protease S1A subfamily","Threonine protease T1A subfamily","Metallo protease M67 family","Serine protease S10 family","Threonine protease T1B subfamily","Metallo prot
ease M67A subfamily"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Peptidases and proteinases","Carbonic anhydrases","Anti-infective targets","PA: Serine (S) Peptidases","PB: Threonine (T) Peptidases","SC: Serine (S) Peptidases","Ant
imalarial targets","S1: Chymotrypsin","T1: Proteasome","S10: Carboxypeptidase Y","Other antimalarial targets"}

> <pathway_reactome>
{"Immune System",Disease,"Extracellular matrix organization","Cell Cycle","Metabolism of proteins",Metabolism,"Transport of small molecules","Cellular responses to external stimuli","Innate Immune Sys
tem","Infectious disease","Degradation of the extracellular matrix",Mitotic,"Post-translational protein modification","Reversible hydration of carbon dioxide","Cytokine Signaling in Immune system","O2
/CO2 exchange in erythrocytes","Diseases of hemostasis","Metabolism of vitamins and cofactors","Cellular responses to stress","Complement cascade","Infection with Mycobacterium tuberculosis","Activati
on of Matrix Metalloproteinases","Regulation of mitotic cell cycle","Asparagine N-linked glycosylation","Signaling by Interleukins","Erythrocytes take up carbon dioxide and release oxygen","Defects of
 contact activation system (CAS) and kallikrein/kinin system (KKS)","Metabolism of water-soluble vitamins and cofactors","Cellular response to hypoxia","Regulation of Complement cascade","Response of 
Mtb to phagocytosis","APC/C-mediated degradation of cell cycle proteins","Biosynthesis of the N-glycan precursor (dolichol lipid-linked oligosaccharide","LLO) and transfer to a nascent protein","Inter
leukin-12 family signaling","Defective factor VIII causes hemophilia A","Cobalamin (Cbl","vitamin B12) transport and metabolism","Regulation of gene expression by Hypoxia-inducible Factor","Suppressio
n of apoptosis","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Synthesis of substrates in N-glycan biosythesis","Interleukin-12 signaling","Defective F8 cleavage by th
rombin","APC/C:Cdc20 mediated degradation of mitotic proteins","Sialic acid metabolism","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","APC:Cdc20 mediated degrada
tion of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB1,PSMB10,PSMB11,PSMB2,PSMB3,PSMB4,PSMB5,PSMB6,PSMB7,PSMB8,PSMB9,PSMD1,PSMD2,RELA}

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

> <synonyms>
{Bortezomib,179324-69-7,179324697,Velcade,PS-341,PS341,LDP-341,LDP341,"Bortezomib (PS-341)","Bortezomib (PS341)","Ps 341",UNII-69G8BD63PP,UNII69G8BD63PP,"Bortezomib (Velcade)",MLN-341,MLN341,MG-341,MG
341,NSC-681239,NSC681239,69G8BD63PP,CHEMBL325041,"Peptide boronate",CHEBI:52717,MFCD09056737,NCGC00242506-02,NCGC0024250602,S1013,DS,T2399,10008822,681239,"NSC 681239",bortezomib,BORTEZOMIB}

> <pdid>
PD003632

> <targets>
{Proteasome Inhibitors,Apoptosis,Autophagy,NF-ºB,Proteasome}

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

> <pubchem_cids>
{387447}

$$$$
Broad_2021
  SciTegic11012413022D

 26 29  0  0  0  0            999 V2000
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 N   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6060    6.0003    0.0000 C   0  0
    2.6060    7.5003    0.0000 C   0  0
    1.3070    8.2503    0.0000 C   0  0
    0.0079    7.5003    0.0000 C   0  0
    0.0079    6.0003    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
  5 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 14  1  0
 19 20  2  0
 20  3  1  0
  1 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
M  END
> <name>
Broad_2021

> <id>
33673

> <plate>
Plate_1

> <well>
M11

> <supplier_cmpd_name>
DBeQ

> <ctcr_id>
5040

> <supplier_cmpd_id>
DBeQ

> <smiles>
C(Nc1nc(NCc2ccccc2)c3ccccc3n1)c4ccccc4

> <pd_targets>
{MAP4K2,BCL2A1,UBE2N,RAD52}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other nuclear protein",Kinase,Aminoacyltransferase,"Protein Kinase","STE protein kinase group","STE protein kinase STE20 family","STE protein kinase KHS subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","STE20 family","KHS subfamily"}

> <pathway_reactome>
{"Immune System","DNA Repair","Innate Immune System","DNA Double-Strand Break Repair","Toll-like Receptor Cascades","Homology Directed Repair","Toll Like Receptor 4 (TLR4) Cascade","HDR through Homolo
gous Recombination (HRR) or Single Strand Annealing (SSA)","MyD88-independent TLR4 cascade","HDR through Single Strand Annealing (SSA)","TRIF(TICAM1)-mediated TLR4 signaling","IKK complex recruitment 
mediated by RIP1"}

> <broad_targets>
{CASP3}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{DBeQ,177355-84-9,177355849,"N2,N4-dibenzylquinazoline-2,4-diamine","N2,N4dibenzylquinazoline2,4diamine","N,N'-dibenzylquinazoline-2,4-diamine","N,N'dibenzylquinazoline2,4diamine","2-N,4-N-dibenzylqui
nazoline-2,4-diamine","2N,4Ndibenzylquinazoline2,4diamine",KUC105555N,"2,4-Quinazolinediamine, N,N'-bis(phenylmethyl)-","2,4Quinazolinediamine, N,N'bis(phenylmethyl)",C22H20N4,MLS000769571,SMR00223918
8,SMR000434303,N,T1969,4417,S7199,DBEQ}

> <pdid>
PD003408

> <targets>
{p97,Others,Apoptosis,Autophagy}

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

> <pubchem_cids>
{676352}

$$$$
Broad_2021
  SciTegic11012413022D

 25 27  0  0  0  0            999 V2000
   12.4289  -10.2253    0.0000 C   0  0
   11.1294  -10.9745    0.0000 C   0  0
   11.1290  -12.4745    0.0000 C   0  0
   12.4281  -11.7250    0.0000 C   0  0
    9.8319  -10.2254    0.0000 C   0  0
    9.6751   -8.7336    0.0000 O   0  0
    8.2168   -8.4417    0.0000 C   0  0
    7.6035   -7.0719    0.0000 C   0  0
    6.1107   -6.9172    0.0000 S   0  0
    5.4984   -5.5497    0.0000 C   0  0
    4.0312   -5.2378    0.0000 S   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2447   -3.1359    0.0000 N   0  0
    6.2484   -4.2507    0.0000 C   0  0
    7.4579   -9.7208    0.0000 N   0  0
    8.4616  -10.8355    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 12 22  2  0
 22 23  1  0
 23 10  2  0
  7 24  2  0
 24 25  1  0
 25  5  2  0
M  END
> <name>
Broad_2021

> <id>
33674

> <plate>
Plate_1

> <well>
N11

> <supplier_cmpd_name>
SNS-032

> <ctcr_id>
2475

> <supplier_cmpd_id>
SNS-032

> <smiles>
CC(C)(C)c1oc(CSc2sc(NC(=O)C3CCNCC3)nc2)nc1

> <pd_targets>
{MAPK6,BRSK2,MAK,HIPK2,CDK1,CIT,CDK9,CCNB1,FLT3,CSNK1E,AURKA,CDKL2,MAP3K7,CCNE1,CDK2,MKNK1,CDK19,CDK8,AURKC,CLK1,CDK7,CLK2,CDK5,CDK3,CDK16,CDK14,DCLK3,DCLK1,STK17A,DYRK1B,MAPK4,CCNH,CSNK1D,DYRK2,DYRK1
A,MYLK3,CCND1,CDK4,IRAK3,CCNE2,PRKD1,CDKL5,HIPK3,RIOK2,PRKD3,GSK3A,MELK,MAPK10,CDK11A,CLK4,DCLK2,STK36,GAK,CDK17,PAK3,CDK15,HIPK1,PHKG2,MKNK2,MYLK2,COQ8B,TAOK3,NUAK2,MAPK15,PRKD2,TGFBR2,PHKG1,MYLK4,PR
KAA1,BRAF,CASK,TAOK2,MYLK,CSNK1A1,CCND2,CCND3,MAPK7,GSK3B,MAST1,TAOK1,RPS6KA5,CDK11B,CCNB2,CCNB3,CDKL3,CCNT1,ULK1,CILK1,CDK13,FLT1,CDK18,CCNA2,MNAT1,CDK5R1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CAMK protein kinase group","AGC protein kinase group","TK protein kinase group","CK1 protein kinase group","Other protein kinase group","TK
L protein kinase group","Atypical protein kinase group","STE protein kinase group","CMGC protein kinase MAPK family","CAMK protein kinase CAMK1 family","CMGC protein kinase RCK family","CMGC protein k
inase DYRK family","CMGC protein kinase CDK family","AGC protein kinase DMPK family","Tyrosine protein kinase PDGFR family","CK1 protein kinase CK1 family","Other protein kinase AUR family","CMGC prot
ein kinase CDKL family","TKL protein kinase MLK family","CAMK protein kinase MAPKAPK family","CMGC protein kinase CLK family","CAMK protein kinase DCAMK1 family","CAMK protein kinase DAPK family","CAM
K protein kinase MLCK family","TKL protein kinase IRAK family","CAMK protein kinase PKD family","Atypical protein kinase RIO family","CMGC protein kinase GSK family","Other protein kinase ULK family",
"Other protein kinase NAK family","STE protein kinase STE20 family","CAMK protein kinase PHk family","Atypical protein kinase ABC1 family","TKL protein kinase STKR family","TKL protein kinase RAF fami
ly","AGC protein kinase MAST family","AGC protein kinase RSK family","Tyrosine protein kinase VEGFR family","CMGC protein kinase ERK3","CAMK protein kinase BRSK subfamily","CMGC protein kinase MAK","C
MGC protein kinase HIPK subfamily","CMGC protein kinase CDC2 subfamily","AGC protein kinase CRIK subfamily","CMGC protein kinase CDK9 subfamily","TKL protein kinase TAK1 subfamily","CAMK protein kinas
e MNK subfamily","CMGC protein kinase CDK8 subfamily","CMGC protein kinase CDK7 subfamily","CMGC protein kinase CDK5 subfamily","CMGC protein kinase TAIRE subfamily","CMGC protein kinase PFTAIRE","CMG
C protein kinase Dyrk1 subfamily","CMGC protein kinase Dyrk2 subfamily","Atypical protein kinase RIO2 subfamily","CAMK protein kinase MELK subfamily","CMGC protein kinase JNK subfamily","CMGC protein 
kinase PITSLRE subfamily","CMGC protein kinase PCTAIRE","STE protein kinase PAKA subfamily","Atypical protein kinase ABC1-A subfamily","STE protein kinase TAO subfamily","CAMK protein kinase NuaK subf
amily","TKL protein kinase STKR Type 2 subfamily","CAMK protein kinase AMPK subfamily","CMGC protein kinase ERK5","AGC protein kinase MSK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","AGC: Containing PKA",PKG,"PKC fami
lies","Receptor kinases","CK1: Casein kinase 1",Atypical,"STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Mitogen-activated protein kinases (MAP kinases)","CAMK-like (CAMKL) famil
y","RCK family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Cyclin-dependent kinase (CDK) family","DMPK family","TK: Tyrosine kinase","Casein kinase 1 (CK1) family"
,"Other protein kinases","Cyclin-dependent kinase-like (CDKL) family","TKL: Tyrosine kinase-like","MAPK-Activated Protein Kinase (MAPKAPK) family","CLK family","DCAMKL family","Death-associated kinase
 (DAPK) family","Myosin Light Chain Kinase (MLCK) family","Protein kinase D (PKD) family","RIO family","Glycogen synthase kinase (GSK) family","STE20 family","Phosphorylase kinase (PHK) family","ABC1 
family","CASK family","MAST family","RSK family","ERK subfamily","BRSK subfamily","HIPK subfamily","CDK1 subfamily","Other DMPK family kinases","CDK9 subfamily","Receptor tyrosine kinases (RTKs)","Aur
ora kinase (Aur) family","Mixed Lineage Kinase (MLK) family","MKN subfamily","CDK8 subfamily","CDK7 subfamily","CDK5 subfamily","TAIRE subfamily","Dyrk1 subfamily","Dyrk2 subfamily","Interleukin-1 rec
eptor-associated kinase (IRAK) family","CDK4 subfamily","RIO2 subfamily","GSK subfamily","MELK subfamily","JNK subfamily","PITSLRE subfamily","Unc-51-like kinase (ULK) family","Numb-associated kinase 
(NAK) family","PAKA subfamily","ABC1-B subfamily","TAO subfamily","NuaK subfamily","Erk7 subfamily","Receptor serine/threonine kinase (RSTK) family","AMPK subfamily","RAF family","MSK subfamily","CRK7
 subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","TAK1 subfamily","Type II receptor serine/threonine kinases","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family
"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Cell Cycle",Disease,"Immune System",Metabolism,"Metabolism of RNA","Vesicle-mediated transport","Developmental Biology","Neuronal System",Auto
phagy,"MAPK family signaling cascades","RNA Polymerase II Transcription",Mitotic,"Signaling by Rho GTPases","Infectious disease","Signaling by Receptor Tyrosine Kinases","Innate Immune System","Metabo
lism of lipids","Diseases of signal transduction by growth factor receptors and second messengers","rRNA processing","Membrane Trafficking","Nervous system development","Metabolism of carbohydrates","
Transmission across Chemical Synapses",Macroautophagy,"MAPK6/MAPK4 signaling","Generic Transcription Pathway","Regulation of mitotic cell cycle","RHO GTPase Effectors","HIV Infection","Signaling by In
sulin receptor","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","Signaling by FGFR","Regulation of lipid metabolism by PPARalpha","Signaling by NOTCH1 in Cancer","Mitotic G1 phase and G1/S tran
sition","Sphingolipid metabolism","rRNA processing in the nucleus and cytosol","SARS-CoV Infections","trans-Golgi Network Vesicle Budding","Axon guidance","Glycogen metabolism","Signaling by TGF-beta 
Receptor Complex in Cancer","Signaling by NTRKs","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by WNT in cancer","M Phase","Selective autophagy","Signaling by VEGF","Tra
nscriptional Regulation by TP53","APC/C-mediated degradation of cell cycle proteins","RHO GTPases activate CIT","HIV Life Cycle","Insulin receptor signalling cascade","G2/M Transition","Toll Like Rece
ptor 4 (TLR4) Cascade","Signaling by FGFR4","PPARA activates gene expression","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","G0 and Early G1","Toll Like Receptor 2 (TLR2) Cascade","Sphingolip
id de novo biosynthesis","G1 Phase","Major pathway of rRNA processing in the nucleolus and cytosol","SARS-CoV-1 Infection","Toll Like Receptor 5 (TLR5) Cascade","Golgi Associated Vesicle Biogenesis","
EPH-Ephrin signaling","Glycogen breakdown (glycogenolysis)","Loss of Function of SMAD2/3 in Cancer","Signaling by NTRK1 (TRKA)","Activation of NMDA receptors and postsynaptic events","RHO GTPases acti
vate PAKs","Signaling by AMER1 mutants","Mitotic Metaphase and Anaphase",Mitophagy,"VEGF ligand-receptor interactions","Regulation of TP53 Activity","Activation of APC/C and APC/C:Cdc20 mediated degra
dation of mitotic proteins","Late Phase of HIV Life Cycle","IRS-mediated signalling","Centrosome maturation","MyD88-independent TLR4 cascade","Negative regulation of FGFR4 signaling","Constitutive Sig
naling by NOTCH1 HD+PEST Domain Mutants","Toll Like Receptor TLR6:TLR2 Cascade","Cyclin D associated events in G1","SARS-CoV-1 Genome Replication and Transcription","MyD88 cascade initiated on plasma 
membrane","Ephrin signaling","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Signalling to ERKs","Assembly and cell surface presentation of NMDA receptors","Truncations of AMER1 destabilize the des
truction complex","Mitotic Anaphase","Receptor Mediated Mitophagy","TP53 Regulates Transcription of DNA Repair Genes","VEGF binds to VEGFR leading to receptor dimerization","Regulation of TP53 Activit
y through Phosphorylation","APC/C:Cdc20 mediated degradation of mitotic proteins","Transcription of the HIV genome","PI3K Cascade","Loss of proteins required for interphase microtubule organization fr
om the centrosome","TRIF(TICAM1)-mediated TLR4 signaling","Spry regulation of FGF signaling","Regulation of TP53 Expression and Degradation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Re
plication of the SARS-CoV-1 genome","MAP kinase activation","Recruitment of mitotic centrosome proteins and complexes","Prolonged ERK activation events","Separation of Sister Chromatids","APC:Cdc20 me
diated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","HIV Transcription Elongation","Loss of Nlp from mitotic centrosomes","TRAF6-mediated induction of TAK1 com
plex within TLR4 complex","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","ARMS-mediated activation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Tat
-mediated elongation of the HIV-1 transcript","Activation of the AP-1 family of transcription factors","ERK/MAPK targets","CREB phosphorylation","Formation of HIV-1 elongation complex containing HIV-1
 Tat","ERKs are inactivated"}

> <broad_targets>
{CDK2,CDK7,CDK9}

> <broad_moa>
{"CDK inhibitor","cell cycle inhibitor","MCL1 inhibitor"}

> <synonyms>
{MS38703,SNS-032,SNS032,345627-80-7,345627807,BMS-387032,BMS387032,"SNS 032","BMS 387032","SNS-032 (BMS-387032)","SNS032 (BMS387032)",UNII-9979I93686,UNII9979I93686,"SNS-032 (hydrochloride)","SNS032 (
hydrochloride)",CHEMBL296468,C17H24N4O2S2,"345627-80-7 (free base)","345627807 (free base)",9979I93686,BMS-387072,BMS387072,Kinome_3820,Kinome3820,Kinome-3820,"Kinome 3820",PubChem16670,Tube004,c,T604
9,S1145,SNS-032(BMS-387032)}

> <pdid>
PD003662

> <targets>
{CDK,Apoptosis}

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

> <pubchem_cids>
{3025986}

$$$$
Broad_2021
  SciTegic11012413022D

 39 45  0  0  0  0            999 V2000
    2.3114    6.1476    0.0000 C   0  0
    3.7495    6.5741    0.0000 C   0  0
    4.8379    5.5420    0.0000 C   0  0
    4.4886    4.0883    0.0000 C   0  0
    3.0502    3.6568    0.0000 C   0  0
    1.9618    4.6889    0.0000 C   0  0
    5.4967    2.9766    0.0000 N   0  0
    6.9879    3.1386    0.0000 C   0  0
    7.6028    1.7704    0.0000 N   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    7.7980   -1.4850    0.0000 N   0  0
    7.8010   -2.9858    0.0000 C   0  0
    9.1000   -3.7359    0.0000 C   0  0
    9.1000   -5.2359    0.0000 C   0  0
    7.8010   -5.9859    0.0000 C   0  0
    6.5020   -5.2359    0.0000 C   0  0
    6.5020   -3.7359    0.0000 C   0  0
    7.8010   -7.4867    0.0000 N   0  0
    9.0988   -8.2389    0.0000 C   0  0
    9.0965   -9.7389    0.0000 C   0  0
    7.7962  -10.4868    0.0000 O   0  0
    6.4984   -9.7347    0.0000 C   0  0
    6.5008   -8.2347    0.0000 C   0  0
    5.2007   -1.4909    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8939    0.7546    0.0000 N   0  0
    5.1903    1.5091    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 19  1  0
 11 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 28  1  0
 37 32  1  0
 26 38  1  0
 38 39  2  0
 39  7  1  0
 39 10  1  0
M  END
> <name>
Broad_2021

> <id>
33675

> <plate>
Plate_1

> <well>
O11

> <supplier_cmpd_name>
Purmorphamine

> <ctcr_id>
1205

> <supplier_cmpd_id>
Purmorphamine

> <smiles>
C1CCC(CC1)n2cnc3c(Nc4ccc(cc4)N5CCOCC5)nc(Oc6cccc7ccccc67)nc23

> <pd_targets>
{SMO,SHH}

> <pathway_gtopdb>
{"Membrane receptor","Unclassified protein","Frizzled family G protein-coupled receptor","Smoothened receptor (frizzled family GPCR)"}

> <pathway_chembl>
{Receptors,"G protein-coupled receptors","Class Frizzled GPCRs"}

> <pathway_reactome>
{"Organelle biogenesis and maintenance",Disease,"Cilium Assembly","Diseases of signal transduction by growth factor receptors and second messengers","Cargo trafficking to the periciliary membrane","Hh
 mutants abrogate ligand secretion","BBSome-mediated cargo-targeting to cilium","HHAT G278V doesn't palmitoylate Hh-Np"}

> <broad_targets>
{SMO}

> <broad_moa>
{"smoothened receptor agonist"}

> <synonyms>
{Purmorphamine,483367-10-8,483367108,2-(1-Naphthoxy)-6-(4-morpholinoanilino)-9-cyclohexylpurine,2(1Naphthoxy)6(4morpholinoanilino)9cyclohexylpurine,"Shh Signaling Antagonist VI",UNII-PB12M2F8KY,UNIIPB
12M2F8KY,PB12M2F8KY,CHEMBL1221984,CHEBI:63053,9-cyclohexyl-N-(4-morpholinophenyl)-2-(naphthalen-1-yloxy)-9H-purin-6-ami,9cyclohexylN(4morpholinophenyl)2(naphthalen1yloxy)9Hpurin6ami,T1810,10009634,S30
42,purmorphamine}

> <pdid>
PD003344

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

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

> <pubchem_cids>
{5284329}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33676

> <plate>
Plate_1

> <well>
P11

> <supplier_cmpd_name>
Myricetin

> <ctcr_id>
5209

> <supplier_cmpd_id>
Myricetin

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 38 40  0  0  1  0            999 V2000
    7.6972   -1.8773    0.0000 Cl  0  0
    5.1965   -1.5117    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    3.9051    0.7424    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0  1  0  0  0
    2.5951   -3.0039    0.0000 N   0  0
    1.2956   -3.7547    0.0000 C   0  0
    1.2951   -5.2556    0.0000 C   0  0
   -0.0044   -6.0064    0.0000 C   0  0
   -0.0049   -7.5064    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    5.1824   -7.5124    0.0000 C   0  0
    3.8808   -8.2579    0.0000 C   0  0
    3.8756   -9.7579    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8915    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
    1.2934    3.7495    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 Cl  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  5  3  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
  5 20  1  0
 20 21  2  3
 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
 21 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
 34 36  1  0
 36 37  2  0
 37 31  1  0
 37 38  1  0
 38 20  1  0
M  END
> <name>
Broad_2021

> <id>
33677

> <plate>
Plate_1

> <well>
A12

> <supplier_cmpd_name>
SB 743921 hydrochloride

> <ctcr_id>
7443

> <supplier_cmpd_id>
SB 743921 hydrochloride

> <smiles>
Cl.CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)C2=C(Cc3ccccc3)C(=O)c4ccc(Cl)cc4O2

> <pd_targets>
{KIF11,KCNH2}

> <pathway_gtopdb>
{"Other cytosolic protein","Ion channel","Voltage-gated ion channel","Potassium channels","Voltage-gated potassium channel"}

> <pathway_chembl>
{"Other protein targets","Ion channels",Kinesins,"Voltage-gated ion channels","Potassium channels","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Vesicle-mediated transport","Muscle contraction","Membrane Trafficking","Cardiac conduction","Intra-Golgi and retrograde Golgi-to-ER traffic","Phase 3 - rapid repolarisation","Golgi-to-ER retrograde
 transport","COPI-dependent Golgi-to-ER retrograde traffic"}

> <broad_targets>
{KIF11}

> <broad_moa>
{"kinesin-like spindle protein inhibitor"}

> <synonyms>
{940929-33-9,940929339,"SB 743921",SB743921,SB-743921,UNII-2YW6FB68GM,UNII2YW6FB68GM,2YW6FB68GM,"SB743921 HCl","SB 743921 hydrochloride","SB-743921 hydrochloride","SB743921 hydrochloride",cc-399,cc399
,SCHEMBL644065,C31H34Cl2N2O3,DTXSID80678822,BCP02471,EX-A2156,EXA2156,ABP000941,s2182,AKOS024458497,CCG-270018,CCG270018,T2255,S2182,SB743921}

> <pdid>
PD003394

> <targets>
{Kinesin}

> <classes>
{}

> <pubchem_cids>
{49867937}

$$$$
Broad_2021
  SciTegic11012413022D

 34 38  0  0  1  0            999 V2000
    7.7938   -3.0046    0.0000 C   0  0
    6.4946   -3.7543    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8888   -5.2533    0.0000 C   0  0
    2.5875   -5.9994    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -5.1968   -1.5004    0.0000 N   0  0
   -5.1945   -3.0005    0.0000 C   0  0
   -6.4924   -3.7525    0.0000 C   0  0
   -7.7926   -3.0046    0.0000 O   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0  2  0  0  0
   -6.4996    0.7475    0.0000 C   0  0
   -2.5981    3.0007    0.0000 N   0  0
   -3.8983    3.7488    0.0000 C   0  0
   -3.9007    5.2488    0.0000 C   0  0
   -2.6029    6.0009    0.0000 O   0  0
   -1.3026    5.2529    0.0000 C   0  0
   -1.3003    3.7529    0.0000 C   0  0  2  0  0  0
    0.0000    3.0050    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 14  1  0
 19 20  2  0
 20 11  1  0
 17 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 26 27  1  6
 15 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 33 34  1  6
M  END
> <name>
Broad_2021

> <id>
33678

> <plate>
Plate_1

> <well>
B12

> <supplier_cmpd_name>
AZD-8055

> <ctcr_id>
7151

> <supplier_cmpd_id>
AZD-8055

> <smiles>
COc1ccc(cc1CO)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C

> <pd_targets>
{PIK3CA,MTOR,PIK3R1,MAPKAP1,MLST8,RICTOR,RPTOR,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Transferase,Kinase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","Atypical protein kinase group","Voltage-gated potassium channel","Atypical protein kinase PI
KK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Lipid modifying kinases",Atypical,"Potassium channels",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidy
l inositol 3' kinase-related kinases (PIKK) family","Voltage-gated potassium channels","FRAP subfamily"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Muscle contraction","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Cardiac conduction
","Signaling by FGFR in disease","Generic Transcription Pathway","Phase 3 - rapid repolarisation","Signaling by FGFR1 in disease","Transcriptional Regulation by TP53","FGFR1 mutant receptor activation
","Regulation of TP53 Activity","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{AZD8055,1009298-09-2,1009298092,AZD-8055,"AZD 8055",UNII-970JJ37FPW,UNII970JJ37FPW,970JJ37FPW,CHEMBL1801204,PubChem22586,cc-79,cc79,QCR-7,QCR7,MLS006010169,SCHEMBL298416,GTPL7714,CHEBI:91329,AOB3532,
EX-A044,EXA044,SYN1166,AMY24189,BCP02171,EX-A1549,EXA1549,ABP000902,BDBM50348452,MFCD16660191,NSC75,T1859,S1555}

> <pdid>
PD003359

> <targets>
{mTOR,Apoptosis,Autophagy}

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

> <pubchem_cids>
{25262965}

$$$$
Broad_2021
  SciTegic11012413022D

 39 43  0  0  0  0            999 V2000
    4.2566    0.5871    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    4.9531   -1.9978    0.0000 O   0  0
    1.6120   -3.9767    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
   -2.5497    4.4223    0.0000 C   0  0
   -1.7974    5.7210    0.0000 C   0  0
   -2.5451    7.0223    0.0000 C   0  0
   -1.7951    8.3214    0.0000 C   0  0
   -2.5451    9.6205    0.0000 C   0  0
   -4.0451    9.6205    0.0000 C   0  0
   -4.7951    8.3215    0.0000 C   0  0
   -4.0452    7.0225    0.0000 C   0  0
   -4.7981   10.9188    0.0000 O   0  0
   -6.2990   10.9167    0.0000 C   0  0
   -7.0520   12.2149    0.0000 C   0  0
   -8.5528   12.2128    0.0000 C   0  0
   -9.3059   13.5111    0.0000 N   0  0
  -10.8059   13.5090    0.0000 C   0  0
   -8.5581   14.8114    0.0000 C   0  0
   -3.8794    1.4442    0.0000 C   0  0
   -4.8823    2.5608    0.0000 C   0  0
   -6.3509    2.2515    0.0000 N   0  0
   -7.3549    3.3660    0.0000 C   0  0
   -8.8221    3.0539    0.0000 C   0  0
   -9.2853    1.6272    0.0000 O   0  0
   -8.2815    0.5127    0.0000 C   0  0
   -6.8143    0.8248    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  2  1  0
  4  7  1  0
  3  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  1  0
 15 16  2  3
 16 10  1  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  2  3
 24 19  1  0
 22 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 14 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 34  1  0
M  END
> <name>
Broad_2021

> <id>
33679

> <plate>
Plate_1

> <well>
C12

> <supplier_cmpd_name>
ISOX DUAL

> <ctcr_id>
13891

> <supplier_cmpd_id>
ISOX DUAL

> <smiles>
CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)OCCCN(C)C)CCN5CCOCC5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"ISOX DUAL",1962928-22-8,ISOX-DUAL,CHEMBL4210853,SCHEMBL20771766}

> <pdid>
PD079917

> <targets>
{CREBBP,BRD4}

> <classes>
.

> <pubchem_cids>
{121237857}

$$$$
Broad_2021
  SciTegic11012413022D

 33 36  0  0  0  0            999 V2000
    7.0503  -11.0244    0.0000 C   0  0
    5.5827  -10.7143    0.0000 C   0  0
    5.1163   -9.2878    0.0000 C   0  0
    3.6479   -8.9775    0.0000 S   0  0
    2.6459  -10.0938    0.0000 O   0  0
    4.1134  -10.4035    0.0000 O   0  0
    3.1815   -7.5510    0.0000 N   0  0
    1.7131   -7.2408    0.0000 C   0  0
    0.7130   -8.3588    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -2.6917   -6.3197    0.0000 F   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.4995    3.7442    0.0000 Cl  0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
    1.2449   -5.8157    0.0000 C   0  0
    2.2449   -4.6977    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  2  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 16  1  0
 24 19  1  0
 22 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 31 25  1  0
 13 32  2  0
 32  8  1  0
 32 33  1  0
M  END
> <name>
Broad_2021

> <id>
33680

> <plate>
Plate_1

> <well>
D12

> <supplier_cmpd_name>
Vemurafenib

> <ctcr_id>
503

> <supplier_cmpd_id>
Vemurafenib

> <smiles>
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)c4ccc(Cl)cc4)c1F

> <pd_targets>
{BRAF,MAP2K1,MAP2K2,ARAF,CHRM1,RAF1,KDR,CHRM3,MAP3K20,CHRM2,FECH,KRAS}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein",Kinase,"Family A G protein-coupled receptor","Protein Kinase","Small molecule receptor (family A GPCR)","TKL protein kinase group","STE protein kinas
e group","Monoamine receptor","TK protein kinase group","TKL protein kinase RAF family","STE protein kinase STE7 family","Acetylcholine receptor","Tyrosine protein kinase VEGFR family","TKL protein ki
nase MLK family","TKL protein kinase MLK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","G protein-coupled receptors","3.6.5.2 Small monomeric GTPases","Receptor kinases","Acetylcholine receptors (muscarinic)","RAS subfamily","TKL: Tyrosine kinase
-like","TK: Tyrosine kinase","RAF family","Receptor tyrosine kinases (RTKs)","Mixed Lineage Kinase (MLK) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","MLK subfamil
y"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Neuronal System","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by GP
CR","MAPK family signaling cascades","Metabolism of porphyrins","Transmission across Chemical Synapses","Signaling by NTRKs","Oncogenic MAPK signaling","GPCR ligand binding","MAPK1/MAPK3 signaling","S
ignaling by VEGF","Heme biosynthesis","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by NTRK1 (TRKA)","Signaling by RAS mutants","Class A/1 (Rhodopsin-like receptors)","R
AF/MAP kinase cascade","VEGFA-VEGFR2 Pathway","Activation of NMDA receptors and postsynaptic events","Signalling to ERKs","Signaling downstream of RAS mutants","Amine ligand-binding receptors","Negati
ve regulation of MAPK pathway","VEGFR2 mediated cell proliferation","Post NMDA receptor activation events","Prolonged ERK activation events","Muscarinic acetylcholine receptors","Negative feedback reg
ulation of MAPK pathway","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","ARMS-mediated activation","Ras activation upon Ca2+ influx through NMDA receptor"}

> <broad_targets>
{BRAF,RAF1}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{Vemurafenib,918504-65-1,918504651,PLX4032,Zelboraf,1029872-54-5,1029872545,PLX-4032,RG7204,"PLX 4032","RG 7204","Vemurafenib (PLX4032, RG7204)",RO5185426,"RO 5185426",UNII-207SMY3FQT,UNII207SMY3FQT,"
Vemurafenib (PLX4032)",RG-7204,207SMY3FQT,CHEBI:63637,MFCD18074504,NSC761431,Ve,T2382,761431,S1267,"NSC 761431",vemurafenib}

> <pdid>
PD003414

> <targets>
{Raf,"B-RafV600E kinase Inhibitor",Autophagy}

> <classes>
{BRAF inhibitor,Autophagy,MAPK/ERK Pathway}

> <pubchem_cids>
{42611257}

$$$$
Broad_2021
  SciTegic11012413022D

 37 41  0  0  0  0            999 V2000
    5.1981    0.0008    0.0000 C   0  0
    3.8990   -0.7492    0.0000 O   0  0
    2.5988    0.0004    0.0000 C   0  0
    2.5983    1.5004    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2636    2.2496    0.0000 C   0  0
   -2.5801   -0.0303    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 C   0  0
    1.2991   -5.2500    0.0000 C   0  0
    2.5981   -4.5000    0.0000 C   0  0
    2.5981   -6.0000    0.0000 C   0  0
    2.5981   -7.5000    0.0000 C   0  0
    1.2991   -8.2500    0.0000 C   0  0
    1.2991   -9.7500    0.0000 C   0  0
    2.5800   -8.9695    0.0000 C   0  0
    1.2639  -11.2496    0.0000 C   0  0
    0.0000  -10.5000    0.0000 C   0  0
    0.0000  -12.0000    0.0000 O   0  0
   -1.2990   -9.7500    0.0000 C   0  0
   -1.2990   -8.2500    0.0000 C   0  0
    0.0000   -7.5000    0.0000 C   0  0
   -1.2990   -6.7500    0.0000 C   0  0
   -2.5988  -10.5004    0.0000 C   0  0
   -3.8978  -11.2504    0.0000 N   0  0
    1.2990   -3.7500    0.0000 C   0  0
    1.2990   -2.2500    0.0000 C   0  0
    2.5981   -3.0000    0.0000 C   0  0
    2.5981   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
  8 11  1  0
 11 12  1  0
 12  5  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  3
 29 30  1  0
 30 17  1  0
 30 22  1  0
 30 31  1  0
 28 32  1  0
 32 33  3  0
 18 34  1  0
 34 13  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37  5  1  0
M  END
> <name>
Broad_2021

> <id>
33681

> <plate>
Plate_1

> <well>
E12

> <supplier_cmpd_name>
Bardoxolone methyl

> <ctcr_id>
110

> <supplier_cmpd_id>
Bardoxolone methyl

> <smiles>
COC(=O)C12CCC(C)(C)CC1C3C(=O)C=C4C(C)(CCC5C(C)(C)C(=O)C(=CC45C)C#N)C3(C)CC2

> <pd_targets>
{USP7,PPARG,USP2,NFE2L2,MBOAT4,STAT3,KEAP1,IKBKB}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Unclassified protein",Protease,"Nuclear receptor",Transferase,Kinase,"Cysteine protease","Nuclear hormone receptor subfamily 1","Protein Kinase","Cysteine protease CA c
lan","Nuclear hormone receptor subfamily 1 group C","Other protein kinase group","Cysteine protease C19 family","Nuclear hormone receptor subfamily 1 group C member 3","Other protein kinase IKK family
"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Nuclear hormone receptors","Peptidases and proteinases","Transcription factors","Catalytic receptors","1C. Peroxisome proliferator-activated receptors","CA:
 Cysteine (C) Peptidases","Basic leucine zipper domain TFs","STAT transcription factors","Receptor kinases","C19: Ubiquitin-specific protease","Other protein kinases","IKK family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins",Disease,"Immune System","RNA Polymerase II Transcription","Peptide hormone metabolism","Diseases of signal transduction by growth factor rec
eptors and second messengers","Innate Immune System","Generic Transcription Pathway",Synthesis,secretion,"and deacylation of Ghrelin","Signaling by FGFR in disease","Toll-like Receptor Cascades","Tran
scriptional Regulation by TP53","Transcriptional Regulation by MECP2","Signaling by FGFR1 in disease","Toll Like Receptor 4 (TLR4) Cascade","Regulation of TP53 Activity","MECP2 regulates transcription
 factors","FGFR1 mutant receptor activation","MyD88-independent TLR4 cascade","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","TRIF(TICAM1)-mediated TLR4 
signaling","Regulation of TP53 Degradation","IKK complex recruitment mediated by RIP1"}

> <broad_targets>
{PPARG,STAT3}

> <broad_moa>
{"nuclear factor erythroid derived","like (NRF2) activator"}

> <synonyms>
{"Bardoxolone methyl",218600-53-4,218600534,CHEMBL1984993,SB23234,LS-15334,LS15334,SY039275,DB-066645,DB066645,FT-0664417,FT0664417,SW220004-1,SW2200041,"2-Cyano-3,12-dioxo-oleana-1,9(11)-dien-28-oic 
acid methyl ester","2Cyano3,12dioxooleana1,9(11)dien28oic acid methyl ester",T6165,S8078,"Bardoxolone Methyl"}

> <pdid>
PD003406

> <targets>
{I?B/IKK}

> <classes>
{NF-?B}

> <pubchem_cids>
{53315588}

$$$$
Broad_2021
  SciTegic11012413022D

 30 33  0  0  0  0            999 V2000
    8.1165    0.8254    0.0000 C   0  0
    6.6534    1.1562    0.0000 C   0  0
    5.6342    0.0546    0.0000 N   0  0
    4.1703    0.3856    0.0000 C   0  0
    3.7257    1.8182    0.0000 O   0  0
    3.1510   -0.7161    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 N   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.0000    3.2293    0.0000 C   0  0
    1.3386    3.9148    0.0000 C   0  0
    1.4153    5.4128    0.0000 C   0  0
    0.1563    6.2283    0.0000 C   0  0
    0.2330    7.7263    0.0000 Cl  0  0
   -1.1794    5.5457    0.0000 C   0  0
   -1.2561    4.0476    0.0000 C   0  0
   -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
   -4.9879    2.6747    0.0000 O   0  0
   -6.4206    2.2305    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
   -1.2135   -2.9844    0.0000 C   0  0
   -2.6401   -3.4480    0.0000 C   0  0
    0.0000   -3.8661    0.0000 N   0  0
    1.2135   -2.9844    0.0000 N   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
  9 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  2  0
 22 23  1  0
 23 24  2  0
 24 17  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 29  1  0
 29 30  2  0
 30  7  1  0
 30 25  1  0
M  END
> <name>
Broad_2021

> <id>
33682

> <plate>
Plate_1

> <well>
F12

> <supplier_cmpd_name>
Molibresib

> <ctcr_id>
7335

> <supplier_cmpd_id>
Molibresib

> <smiles>
CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14

> <pd_targets>
{BRD3,BRD4,BRD2,BRDT}

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

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Enzymatic bromodomain-containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","SARS-CoV Infections","Generic Transcription Pathway","Potential therapeutics for SARS","Transcription
al regulation by RUNX3","RUNX3 regulates p14-ARF"}

> <broad_targets>
{BRD2,BRD3,BRD4}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{1260907-17-2,1260907172,"1260907 17 2",molibresib,I-BET-762,IBET762,"I BET 762","GSK 525762A",GSK525762A,GSK-525762,GSK525762,"GSK 525762",I-BET762,"I BET762","I-BET 762","IBET 762",UNII-5QIO6SRZ2R,U
NII5QIO6SRZ2R,"UNII 5QIO6SRZ2R",GSK-525762A,5Q,10676,S7189}

> <pdid>
PD003552

> <targets>
{"Epigenetic Reader Domain"}

> <classes>
{}

> <pubchem_cids>
{46943432}

$$$$
Broad_2021
  SciTegic11012413022D

 38 41  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    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
  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
M  END
> <name>
Broad_2021

> <id>
33683

> <plate>
Plate_1

> <well>
G12

> <supplier_cmpd_name>
Gossypol

> <ctcr_id>
3549

> <supplier_cmpd_id>
Gossypol

> <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

> <pd_targets>
{TP53,SLC2A1,THRB,AKR1B1,KDM4E,HTT,CASP7,MAPT,CYP2C19,MAPK1,ALOX12,ESR1,ALD,BLM,POLB,MDH2,CYP2C9,LDHA,GUAB,BCL2L1,BCL2,MCL1,AMPC,USP2,BCL2L2,VCP,LDH,KIF11,PKM,RECQL,RORC,KMT2A,MEN1,HPGD,CASP1,HIF1A,TG
R,ALOX15,CYP3A4,CYP1A2,MDH1,HSD17B10,FFP,GAA,ALDH1A1,CYP2D6,LDHB,EIF4G1,LEF,ISPE,ESR2,GALK1,NPSR1,MPG,LMNA,NS1,GROES,GROL,HSPD1,HSPE1,FTL,TST,PYK,MTOR,SLCO1B1,SLCO1B3}

> <pathway_gtopdb>
{"Transcription factor",Transporter,Enzyme,"Epigenetic regulator","Unclassified protein","Other cytosolic protein","Ion channel","Membrane receptor","Other nuclear protein","Electrochemical transporte
r","Nuclear receptor",Oxidoreductase,Eraser,Protease,"Cytochrome P450",Kinase,"Other ion channel",Hydrolase,"Primary active transporter",Reader,Transferase,"Family A G protein-coupled receptor","SLC s
uperfamily of solute carriers","Nuclear hormone receptor subfamily 1","Lysine demethylase","Cysteine protease","Cytochrome P450 family 2","Protein Kinase","Nuclear hormone receptor subfamily 3","Misce
llaneous ion channel","Endoplasmic reticular retrotranslocon family",Bromodomain,"Cytochrome P450 family 3","Cytochrome P450 family 1","Metallo protease","Peptide receptor (family A GPCR)","SLC02 fami
ly of hexose and sugar alcohol transporters","Nuclear hormone receptor subfamily 1 group A","Jumonji domain-containing","Cysteine protease CD clan","Cysteine protease CA clan","Cytochrome P450 family 
2C","CMGC protein kinase group","Nuclear hormone receptor subfamily 3 group A","Bcl-2 family","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Cy
tochrome P450 family 2D","Metallo protease MAE clan","Short peptide receptor (family A GPCR)","Atypical protein kinase group","SLC21/SLCO family of organic anion transporting polypeptides","Nuclear ho
rmone receptor subfamily 1 group A member 2","Cysteine protease C14 family","Cysteine protease C1A family","Cytochrome P450 2C19","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 
3 group A member 1","Cytochrome P450 2C9","Cysteine protease C19 family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cytochrome P450 1A1","Cytochrome P450 2D6","Meta
llo protease M34 family","Nuclear hormone receptor subfamily 3 group A member 2","Neuropeptide receptor","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP 
subfamily"}

> <pathway_chembl>
{Transporters,Receptors,Enzymes,"Other protein targets","SLC superfamily of solute carriers","Nuclear hormone receptors","1.-.-.- Oxidoreductases","Chromatin modifying enzymes","Peptidases and protein
ases","Cytochrome P450","Kinases (EC 2.7.x.x)","Eicosanoid turnover","B-cell lymphoma 2 (Bcl-2) protein family",Kinesins,"2.7.1.40 Pyruvate kinases","3.2.1.- Glycosidases","G protein-coupled receptors
","SLC2 family of hexose and sugar alcohol transporters","1A. Thyroid hormone receptors","1.14.11.- Histone demethylases","CD: Cysteine (C) Peptidases","CYP2 family: drug metabolising subset","CMGC: C
ontaining CDK",MAPK,GSK3,"CLK families",Lipoxygenases,"Steroid hormone receptors","CA: Cysteine (C) Peptidases","1F. Retinoic acid-related orphans","Prostaglandin synthases","CYP3 family","CYP1 family
","Neuropeptide S receptor","2.1.1.43 Histone methyltransferases (HMTs)",Atypical,"SLCO family of organic anion transporting polypeptides","Class I transporters","C14: Caspase","Mitogen-activated prot
ein kinases (MAP kinases)","3A. Estrogen receptors","C19: Ubiquitin-specific protease","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle",Disease,"Metabolism of proteins",Metabolism,"Gene expression (Transcription)","Programmed Cell Death","Neuronal System","Immune System","DNA Repair","Vesicle-mediated transport","Cellula
r responses to external stimuli","Signal Transduction","Cell Cycle Checkpoints","Disorders of transmembrane transporters","Post-translational protein modification","Metabolism of lipids","RNA Polymera
se II Transcription",Apoptosis,"Transmission across Chemical Synapses","Biological oxidations","Innate Immune System","DNA Double-Strand Break Repair","Base Excision Repair","Metabolism of carbohydrat
es","The citric acid (TCA) cycle and respiratory electron transport","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Immune system","Infectiou
s disease","Membrane Trafficking","Cellular responses to stress","Metabolism of amino acids and derivatives","Diseases of metabolism",Translation,"Intracellular signaling by second messengers",Mitotic
,"G1/S DNA Damage Checkpoints","SLC transporter disorders",SUMOylation,"Metabolism of steroids","Generic Transcription Pathway","Intrinsic Pathway for Apoptosis","Neurotransmitter receptors and postsy
naptic signal transmission","Phase I - Functionalization of compounds","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Homology Directed Repair","Resolution 
of Abasic Sites (AP sites)","Glucose metabolism","Pyruvate metabolism and Citric Acid (TCA) cycle","FLT3 signaling in disease","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR
) signaling pathways","Signaling by Interleukins","SARS-CoV Infections","Intra-Golgi and retrograde Golgi-to-ER traffic","Cellular response to hypoxia","Branched-chain amino acid catabolism","Diseases
 of carbohydrate metabolism","Eukaryotic Translation Initiation","Uptake and actions of bacterial toxins","PIP3 activates AKT signaling","Diseases of glycosylation","Leishmania infection","Base-Excisi
on Repair","AP Site Formation","M Phase","trans-Golgi Network Vesicle Budding","Sulfur amino acid metabolism","p53-Dependent G1/S DNA damage checkpoint","Defective SLC2A1 causes GLUT1 deficiency syndr
ome 1 (GLUT1DS1)","SUMO E3 ligases SUMOylate target proteins","Metabolism of steroid hormones","Transcriptional Regulation by MECP2","Apoptotic factor-mediated response","Activation of NMDA receptors 
and postsynaptic events","Cytochrome P450 - arranged by substrate type","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DPA-derived SPMs","Transcriptional regulation by RUNX1","HDR through Homo
logous Recombination (HRR) or Single Strand Annealing (SSA)","Resolution of AP sites via the multiple-nucleotide patch replacement pathway",Gluconeogenesis,"Pyruvate metabolism","Signaling by FLT3 ITD
 and TKD mutants",Inflammasomes,"Interleukin-4 and Interleukin-13 signaling","Transcriptional Regulation by TP53","SARS-CoV-1 Infection","Golgi-to-ER retrograde transport",Glycolysis,"Transcriptional 
regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Glycogen storage diseases","Ethanol oxidation","Cap-dependent Transl
ation Initiation","Uptake and function of anthrax toxins","Negative regulation of the PI3K/AKT network","Diseases associated with glycosylation precursor biosynthesis","Leishmania parasite growth and 
survival",Depurination,"Mitotic Metaphase and Anaphase","Golgi Associated Vesicle Biogenesis","Degradation of cysteine and homocysteine","Bile acid and bile salt metabolism","p53-Dependent G1 DNA Dama
ge Response","SUMOylation of intracellular receptors","Pregnenolone biosynthesis","Regulation of MECP2 expression and activity","Cytochrome c-mediated apoptotic response","Post NMDA receptor activatio
n events",Xenobiotics,"MyD88 cascade initiated on plasma membrane","Biosynthesis of DPAn-3 SPMs","RUNX1 regulates estrogen receptor mediated transcription","HDR through Homologous Recombination (HRR)"
,"PCNA-Dependent Long Patch Base Excision Repair","STAT5 activation downstream of FLT3 ITD mutants","The NLRP1 inflammasome","Regulation of TP53 Activity","Attachment and Entry","COPI-dependent Golgi-
to-ER retrograde traffic","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of D-series resolvins","TP53 Regulates Transcription of Cell Death Genes","Biosynthesis of maresins","Glyco
gen storage disease type II (GAA)","Activation of the mRNA upon binding of the cap-binding complex and eIFs","and subsequent binding to 43S",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Defective
 GALK1 can cause Galactosemia II (GALCT2)","Anti-inflammatory response favouring Leishmania parasite infection","Cleavage of the damaged purine","Mitotic Anaphase","RUNX1 regulates genes involved in m
egakaryocyte differentiation and platelet function","Sulfide oxidation to sulfate","Recycling of bile acids and salts","Stabilization of p53","Activation of caspases through apoptosome-mediated cleava
ge","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","MAP kinase activation","Biosynthesis of DPAn-3-derived maresins","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Expr
ession and Degradation","TP53 Regulates Transcription of Caspase Activators and Caspases","Biosynthesis of DPAn-3-derived protectins and resolvins","Biosynthesis of maresin-like SPMs","Aromatic amines
 can be N-hydroxylated or N-dealkylated by CYP1A2","Translation initiation complex formation","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Autodegradat
ion of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","Initiati
on of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{BCL2}

> <broad_moa>
{"BCL inhibitor","MCL1 inhibitor"}

> <synonyms>
{gossypol,303-45-7,303457,(-)-Gossypol,()Gossypol,90141-22-3,90141223,Pogosin,(+)-Gossypol,(+)Gossypol,"Tash 1",(R)-Gossypol,(R)Gossypol,(R)-(-)-Gossypol,(R)()Gossypol,"AT 101",(+/-)-Gossypol,(+/)Goss
ypol,"BL 193",ssypol,20300-26-9,20300269,AT101,C30H30O8,NSC56817,"BRN 1917878",CHEMBL51483,"303-45-7 (free)","303457 (free)",2,2'-bi(8-Formyl-1,2'bi(8Formyl1,6,7-t,7t,T6518,14482,1504019,"NSC 56817",G
ossypol,GOSSYPOL}

> <pdid>
PD000766

> <targets>
{Bcl-2 Family}

> <classes>
{antiHIV,antispermatogenic,antineoplastic,Apoptosis}

> <pubchem_cids>
{3503}

$$$$
Broad_2021
  SciTegic11012413022D

 30 33  0  0  0  0            999 V2000
   -2.7016   -5.7013    0.0000 C   0  0
   -1.9580   -7.0040    0.0000 C   0  0
   -2.7148   -8.2991    0.0000 C   0  0
   -0.4572   -7.0123    0.0000 C   0  0
    0.2973   -5.7159    0.0000 C   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5428   -7.0227    0.0000 C   0  0
    4.0428   -7.0280    0.0000 O   0  0
    1.7883   -8.3192    0.0000 C   0  0
    0.2883   -8.3139    0.0000 C   0  0
   -0.4662   -9.6104    0.0000 O   0  0
    2.5497   -4.4224    0.0000 C   0  0
    4.0497   -4.4250    0.0000 O   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 N   0  0
   -7.7884   -1.5181    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
 10 11  1  0
  6 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 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
 19 28  1  0
 28 29  2  0
 29 16  1  0
 29 30  1  0
 30 14  1  0
M  END
> <name>
Broad_2021

> <id>
33684

> <plate>
Plate_1

> <well>
H12

> <supplier_cmpd_name>
Onalespib

> <ctcr_id>
3677

> <supplier_cmpd_id>
Onalespib

> <smiles>
CC(C)c1cc(c(O)cc1O)C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2

> <pd_targets>
{HSP90AB1,HSP90AA1}

> <pathway_gtopdb>
{"Other cytosolic protein"}

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

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Mitotic G2-G2/M phases","G2/M Transition","The role of GTSE1 in G2/M progression after G2 checkpoint","Centrosome maturation","Loss of proteins required for interphase microtubu
le organization from the centrosome","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
{HSP90AA1}

> <broad_moa>
{"HSP inhibitor"}

> <synonyms>
{Onalespib,AT13387,912999-49-6,912999496,AT-13387,"Onalespib (AT13387)","AT 13387",UNII-Q7Y33N57ZZ,UNIIQ7Y33N57ZZ,Q7Y33N57ZZ,ATI-13387X,ATI13387X,"912999-49-6 (free base)","912999496 (free base)",C24H
31N3O3,"Onalespib (USAN:INN)",onalespibum,"Onalespib (USAN/INN)",MLS006011085,SCHEMBL382780,CHEMBL1214827,A,T6284,S1163}

> <pdid>
PD003412

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

> <classes>
{"Cytoskeletal Signaling"}

> <pubchem_cids>
{11955716}

$$$$
Broad_2021
  SciTegic11012413022D

 30 33  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 N   0  0
    1.2960    5.2539    0.0000 C   0  0
   -0.0056    5.9995    0.0000 C   0  0
   -0.0108    7.4995    0.0000 C   0  0
    1.2856    8.2540    0.0000 C   0  0
    1.2804    9.7540    0.0000 Br  0  0
    2.5873    7.5085    0.0000 C   0  0
    2.5924    6.0085    0.0000 C   0  0
    3.8941    5.2631    0.0000 F   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 N   0  0
   -1.3071   -9.7503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
 14 15  1  0
  6 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19  5  1  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 24  1  0
M  END
> <name>
Broad_2021

> <id>
33685

> <plate>
Plate_1

> <well>
I12

> <supplier_cmpd_name>
Vandetanib

> <ctcr_id>
4018

> <supplier_cmpd_id>
Vandetanib

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

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

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

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

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

> <broad_targets>
{EGFR,EPHA1,EPHA10,EPHA2,EPHA3,EPHA4,EPHA5,EPHA6,EPHA7,EPHA8,EPHB1,EPHB2,EPHB3,EPHB4,EPHB6,ERBB2,ERBB3,ERBB4,FLT1,FLT4,KDR,PTK6,RET,SRC,TEK,VEGFA}

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

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

> <pdid>
PD003329

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

> <classes>
{"Kinase inhibitor"}

> <pubchem_cids>
{3081361}

$$$$
Broad_2021
  SciTegic11012413022D

 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
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 49 52  1  0
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 53 54  2  0
 53 55  1  0
 55 56  1  0
 55 57  1  0
 57 58  1  0
M  END
> <name>
Broad_2021

> <id>
33686

> <plate>
Plate_1

> <well>
J12

> <supplier_cmpd_name>
Birinapant

> <ctcr_id>
5467

> <supplier_cmpd_id>
Birinapant

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 22 22  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.6003    1.4978    0.0000 C   0  0
    3.8990    0.7455    0.0000 C   0  0
    5.2003    1.4932    0.0000 C   0  0
    5.2029    2.9932    0.0000 C   0  0
    6.4990    0.7410    0.0000 C   0  0
    7.8003    1.4887    0.0000 C   0  0
    9.0990    0.7365    0.0000 C   0  0
   10.4003    1.4842    0.0000 C   0  0
   10.4029    2.9842    0.0000 C   0  0
   11.6989    0.7320    0.0000 C   0  0
   13.0002    1.4797    0.0000 C   0  0
   13.0028    2.9797    0.0000 O   0  0
   14.2982    0.7279    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    1.3164    2.2191    0.0000 C   0  0
   -1.3163    2.2193    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
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  3 17  1  0
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 20 21  1  0
 21 22  1  0
 22  2  1  0
M  END
> <name>
Broad_2021

> <id>
33687

> <plate>
Plate_1

> <well>
K12

> <supplier_cmpd_name>
Retinoic acid

> <ctcr_id>
4916

> <supplier_cmpd_id>
Retinoic acid

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

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

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

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

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

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

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

> <synonyms>
{"Retinoic acid",tretinoin,302-79-4,302794,"Vitamin A acid","all-trans-Retinoic acid","alltransRetinoic acid","trans-Retinoic acid","transRetinoic acid",ATRA,Airol,Retin-A,RetinA,Vesanoid,Renova,"All-
trans Retinoic Acid","Alltrans Retinoic Acid","all-trans-Vitamin A acid","alltransVitamin A acid",Dermairol,Aknoten,Aberel,Eudyna,Aknefug,"Cordes vas",Epi-a,Epia,122758,R2625,SAM002264647,1502016,Pres
tw-257,"NSC 122758",Tretinoin,CPD000058245,TRETINON}

> <pdid>
PD001430

> <targets>
{Autophagy,Endogenous Metabolite,PPAR,RAR/RXR}

> <classes>
{Retinoid,keratolytic,Autophagy,Cell Cycle/DNA Damage,Metabolic Enzyme/Protease}

> <pubchem_cids>
{444795}

$$$$
Broad_2021
  SciTegic11012413022D

 31 34  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8891   -6.7578    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4939    0.7411    0.0000 N   0  0
   -6.4894   -0.7597    0.0000 C   0  0
   -7.7846   -1.5163    0.0000 C   0  0
   -7.7770   -3.0163    0.0000 C   0  0
   -6.4742   -3.7597    0.0000 C   0  0
   -5.1790   -3.0032    0.0000 C   0  0
   -5.1866   -1.5032    0.0000 C   0  0
   -6.4667   -5.2605    0.0000 N   0  0
   -7.7607   -6.0192    0.0000 C   0  0
   -7.7507   -7.5192    0.0000 C   0  0
   -6.4467   -8.2605    0.0000 O   0  0
   -5.1527   -7.5019    0.0000 C   0  0
   -5.1627   -6.0019    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  3  0
  2  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 22 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
 17 31  2  0
 31 13  1  0
M  END
> <name>
Broad_2021

> <id>
33688

> <plate>
Plate_1

> <well>
L12

> <supplier_cmpd_name>
Momelotinib

> <ctcr_id>
6247

> <supplier_cmpd_id>
Momelotinib

> <smiles>
O=C(NCC#N)c1ccc(cc1)c2ccnc(Nc3ccc(cc3)N4CCOCC4)n2

> <pd_targets>
{JAK2,JAK3,ACVR1,JAK1,BMPR1B,TGFBR1,BMPR1A}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","Tyrosine protein kinase JakA family","TKL protein kinase STKR family","TKL protein kinase STKR1","TKL protein kina
se STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","Non-receptor tyrosine kinases (nRTKs)","Receptor serine/threonine kinase (RSTK) family","Janus ki
nase (JakA) family","Type I receptor serine/threonine kinases"}

> <pathway_reactome>
{"Cell Cycle","Immune System","Signal Transduction",Disease,Mitotic,"Cytokine Signaling in Immune system","Signaling by TGFB family members","Diseases of signal transduction by growth factor receptors
 and second messengers","Mitotic G1 phase and G1/S transition","Signaling by Interleukins","Interferon Signaling","Signaling by BMP","Signaling by TGF-beta Receptor Complex in Cancer","G1 Phase","Inte
rleukin-2 family signaling","Antiviral mechanism by IFN-stimulated genes","Loss of Function of SMAD2/3 in Cancer","Cyclin D associated events in G1","Interleukin-15 signaling","ISG15 antiviral mechani
sm","SMAD2/3 Phosphorylation Motif Mutants in Cancer"}

> <broad_targets>
{JAK1,JAK2,JAK3}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{Cyt387,1056634-68-4,1056634684,MOMELOTINIB,Cyt-387,"CYT 387",N-(Cyanomethyl)-4-(2-((4-morpholinophenyl)amino)pyrimidin-4-yl)benzamide,N(Cyanomethyl)4(2((4morpholinophenyl)amino)pyrimidin4yl)benzamide
,"CYT 11387",UNII-6O01GMS00P,UNII6O01GMS00P,N-(cyanomethyl)-4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide,N(cyanomethyl)4(2(4morpholinophenylamino)pyrimidin4yl)benzamide,"Momelotinib free bas
",T1849,S2219,SY-CYT387,Momelotinib,momelotinib,CYT387}

> <pdid>
PD003635

> <targets>
{JAK2,JAK1,JAK,Apoptosis,Autophagy}

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

> <pubchem_cids>
{25062766}

$$$$
Broad_2021
  SciTegic11012413022D

 28 31  0  0  0  0            999 V2000
    7.7947   -3.0293    0.0000 C   0  0
    6.4915   -3.7721    0.0000 N   0  0
    5.1954   -3.0153    0.0000 C   0  0
    5.2033   -1.5153    0.0000 O   0  0
    3.8915   -3.7585    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 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
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -4.6589    2.9478    0.0000 C   0  0
   -5.1253    4.3743    0.0000 C   0  0
   -6.5925    4.6865    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 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 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
 17 18  1  0
 18 19  2  0
 19 15  1  0
 19 20  1  0
 20 21  2  3
 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
 16 28  2  0
 28 12  1  0
M  END
> <name>
Broad_2021

> <id>
33689

> <plate>
Plate_1

> <well>
M12

> <supplier_cmpd_name>
Axitinib

> <ctcr_id>
4551

> <supplier_cmpd_id>
Axitinib

> <smiles>
CNC(=O)c1ccccc1Sc2ccc3c([nH]nc3C=Cc4ccccn4)c2

> <pd_targets>
{MARK2,MAP3K20,CDK2,FLT1,PDPK1,DCLK1,ALK,AXL,LCK,SRPK1,TYK2,PKN2,STK3,TBK1,CSNK2A1,PDGFRA,CAMK2D,NTRK2,MAP4K5,RET,PRKAA1,PDGFRB,IRAK1,PAK4,MAP4K2,TSSK1B,IKBKE,BRSK1,RPS6KA3,MAP4K4,MET,KIT,AURKA,BLK,MK
NK2,SLK,PLK4,PHKG2,LYN,FGFR1,CSF1R,MAPK14,LIMK1,ABL1,FLT4,FGFR3,MST1R,CAMK2G,RPS6KB1,LRRK2,ROCK2,KDR,AURKB,MARK3,MINK1,GAK,MAP3K4,FLT3,HUNK,AAK1,TNIK,GRK4,BMPR1B,DDR2,MAPK8,JAK3,EGFR,STK4,RIPK1,NUAK2,
YES1,TESK1,SRPK3,MAP3K9,ACVR2B,ULK2,BMP2K,MAP3K19,ANKK1,MYLK3,CAMKK2,RIPK2,EIF2AK2,MAP4K3,STK16,DDR1,CDKL2,AURKC,CSNK2A2,TIE1,CDK16,RIPK4,FGFR2,CDC42BPB,ABL2,JAK2,MYO3A,SIK1,RIOK3,MAP2K1,TTK,MAPK10,RO
S1,TNK1,MAP4K1,MAP2K2,RIOK1,MYLK2,MERTK,ULK3,TXK,MAP3K12,MAP2K5,STK10,MAP3K3,FGR,CSK,CAMKK1,EPHB6,NTRK1,TEK,ITK,TNK2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","CAMK protein kinase group","TKL protein kinase group","CMGC protein kinase group","TK protein kinase group","AGC protein kinase group","STE prot
ein kinase group","Other protein kinase group","Atypical protein kinase group","CAMK protein kinase CAMK1 family","TKL protein kinase MLK family","CMGC protein kinase CDK family","Tyrosine protein kin
ase VEGFR family","AGC protein kinase PDK1 subfamily","CAMK protein kinase DCAMK1 family","TKL protein kinase STKR family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Src family","CM
GC protein kinase SRPK family","Tyrosine protein kinase JakA family","AGC protein kinase PKN family","STE protein kinase STE20 family","Other protein kinase IKK family","Other protein kinase CK2 famil
y","Tyrosine protein kinase PDGFR family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase Trk family","Tyrosine protein kinase Ret family","TKL protein kinase IRAK family","CAMK protein ki
nase TSSK family","AGC protein kinase RSK family","Tyrosine protein kinase Met family","Other protein kinase AUR family","CAMK protein kinase MAPKAPK family","Other protein kinase PLK family","CAMK pr
otein kinase PHk family","Tyrosine protein kinase FGFR family","CMGC protein kinase MAPK family","TKL protein kinase LISK family","Tyrosine protein kinase Abl family","TKL protein kinase LRRK family",
"AGC protein kinase DMPK family","Other protein kinase NAK family","STE protein kinase STE11 family","AGC protein kinase GRK family","Tyrosine protein kinase DDR family","Tyrosine protein kinase EGFR 
family","TKL protein kinase RIPK family","Other protein kinase ULK family","CAMK protein kinase MLCK family","Other protein kinase CAMKK family","Other protein kinase PEK family","CMGC protein kinase 
CDKL family","Tyrosine protein kinase Tie family","Atypical protein kinase RIO family","STE protein kinase STE7 family","Other protein kinase TTK family","Tyrosine protein kinase Sev family","Tyrosine
 protein kinase Ack family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Csk family","CAMK protein kinase MARK subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase CDC2 
subfamily","TKL protein kinase STKR Type 1 subfamily","STE protein kinase MST subfamily","STE protein kinase KHS subfamily","CAMK protein kinase AMPK subfamily","STE protein kinase PAKB subfamily","CA
MK protein kinase BRSK subfamily","AGC protein kinase RSK subfamily","STE protein kinase MSN subfamily","CAMK protein kinase MNK subfamily","STE protein kinase SLK subfamily","CMGC protein kinase p38 
subfamily","TKL protein kinase LIMK subfamily","AGC protein kinase p70 subfamily","AGC protein kinase ROCK subfamily","AGC protein kinase GRK subfamily","CMGC protein kinase JNK subfamily","CAMK prote
in kinase NuaK subfamily","TKL protein kinase TESK subfamily","TKL protein kinase STKR Type 2 subfamily","Other protein kinase Meta subfamily","Other protein kinase PKR","CMGC protein kinase TAIRE sub
family","AGC protein kinase GEK subfamily","STE protein kinase NinaC subfamily","CAMK protein kinase QIK subfamily","Atypical protein kinase RIO3 subfamily","Atypical protein kinase RIO1 subfamily","S
TE protein kinase MEKK2"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing
 PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",Atypical,"CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","Cyclin-dependent kinase (CDK) family","TK
: Tyrosine kinase","PDK1 family","DCAMKL family","SRPK family","Protein kinase N (PKN) family","STE20 family","Other protein kinases","CAMK2 family","Testis specific kinase (TSSK) family","RSK family"
,"MAPK-Activated Protein Kinase (MAPKAPK) family","Phosphorylase kinase (PHK) family","Mitogen-activated protein kinases (MAP kinases)","DMPK family","STE11 family","G protein-coupled receptor kinases
 (GRKs)","Myosin Light Chain Kinase (MLCK) family","Cyclin-dependent kinase-like (CDKL) family","RIO family","STE7 family","MARK subfamily","Mixed Lineage Kinase (MLK) family","CDK1 subfamily","Recept
or tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","MST subfamily","IKK family","Casein kinase 2 (CK2) family","KHS subfamily","AMPK subfamily","Interleukin-1 receptor-associated kina
se (IRAK) family","PAKB subfamily","BRSK subfamily","RSK subfamily","MSN subfamily","Aurora kinase (Aur) family","MKN subfamily","SLK subfamily","Polo-like kinase (PLK) family","p38 subfamily","LIM do
main kinase (LISK) family","p70 subfamily","Leucine-rich repeat kinase (LRRK) family","Rho kinase","Numb-associated kinase (NAK) family","HUNK subfamily","NAK family","GRK4 subfamily","Receptor serine
/threonine kinase (RSTK) family","JNK subfamily","Receptor interacting protein kinase (RIPK) family","NuaK subfamily","Unc-51-like kinase (ULK) family","STE20 subfamily","CAMKK family","PEK family","T
AIRE subfamily","GEK subfamily","NinaC subfamily","QIK subfamily","RIO3 subfamily","TTK family","RIO1 subfamily","MLK subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor famil
y","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Src family","Janus kinase (JakA) family","Type III RTKs: PDGFR",CSFR
,Kit,"FLT3 receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type XIV RTKs: RET","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type V RTKs: FGF (fibroblast growth fa
ctor) receptor family","LIMK subfamily","Abl family","Type I receptor serine/threonine kinases","Type XVI RTKs: DDR (collagen receptor) family","Type I RTKs: ErbB (epidermal growth factor) receptor fa
mily","TESK subfamily","Type II receptor serine/threonine kinases","Meta subfamily","Other PEK family kinases","Type XII RTKs: TIE family of angiopoietin receptors","Type XVII RTKs: ROS receptors","Ac
k family","Tec family","LZK subfamily","Csk family","Type XIII RTKs: Ephrin receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction",Disease,"Immune System","Neuronal System","Developmental Biology","Cellular responses to external stimuli","Cell Cycle",Metabolism,"Vesicle-med
iated transport","Extracellular matrix organization","Cell-Cell communication","Circadian Clock","Metabolism of RNA",Hemostasis,"RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinase
s","Infectious disease","Cytokine Signaling in Immune system","Signaling by Rho GTPases","Signaling by Hippo","Innate Immune System","Diseases of signal transduction by growth factor receptors and sec
ond messengers","Transmission across Chemical Synapses","Nervous system development","Intracellular signaling by second messengers","Cellular responses to stress",Mitotic,"Metabolism of carbohydrates"
,"MTOR signalling","Signaling by Non-Receptor Tyrosine Kinases","Membrane Trafficking","Signaling by GPCR","Signaling by TGFB family members","Non-integrin membrane-ECM interactions","Cell junction or
ganization","Signaling by NODAL","rRNA processing","Cell surface interactions at the vascular wall","Signaling by Hedgehog","MAPK family signaling cascades","Adaptive Immune System","Generic Transcrip
tion Pathway","Signaling by VEGF","HIV Infection","Interferon Signaling","RHO GTPase Effectors","Toll-like Receptor Cascades","Signaling by PDGFR in disease","Neurotransmitter receptors and postsynapt
ic signal transmission","Signaling by NTRKs","Axon guidance","PIP3 activates AKT signaling","Cellular Senescence","Signaling by KIT in disease","Mitotic G2-G2/M phases","Glycogen metabolism","Leishman
ia infection","Signaling by FGFR in disease","Signaling by MST1","mTORC1-mediated signalling","Signaling by PTK6","M Phase","Oncogenic MAPK signaling","trans-Golgi Network Vesicle Budding","Signaling 
by Insulin receptor","Clathrin-mediated endocytosis","GPCR downstream signalling","Signaling by BMP","Signaling by Interleukins","Cell-extracellular matrix interactions","Regulation of signaling by NO
DAL","Influenza Infection","Mitotic G1 phase and G1/S transition","rRNA processing in the nucleus and cytosol","Hedgehog 'on' state","Fc epsilon receptor (FCERI) signaling","Neutrophil degranulation",
"MAPK1/MAPK3 signaling","TCR signaling","Transcriptional Regulation by TP53","VEGF ligand-receptor interactions","VEGFA-VEGFR2 Pathway","Host Interactions of HIV factors","Interferon alpha/beta signal
ing","RHO GTPases activate PKNs","Toll Like Receptor 4 (TLR4) Cascade","Drug resistance of PDGFR mutants","Activation of NMDA receptors and postsynaptic events","Signaling by NTRK1 (TRKA)","RET signal
ing","Negative regulation of the PI3K/AKT network","Toll Like Receptor 5 (TLR5) Cascade","Signaling by ROBO receptors","Oxidative Stress Induced Senescence","Semaphorin interactions","Drug resistance 
of KIT mutants","Transcriptional regulation by RUNX1","G2/M Transition","Glycogen breakdown (glycogenolysis)","Leishmania parasite growth and survival","Signaling by FGFR1 in disease","Transcriptional
 Regulation by VENTX","Parasite infection","Signaling by FGFR3 in disease","PTK6 promotes HIF1A stabilization","Mitotic Metaphase and Anaphase","Signaling by RAS mutants","Golgi Associated Vesicle Bio
genesis","Insulin receptor signalling cascade","Cargo recognition for clathrin-mediated endocytosis","G alpha (i) signalling events","Interleukin-2 family signaling","G alpha (q) signalling events","R
egulation of cytoskeletal remodeling and cell spreading by IPP complex components","NS1 Mediated Effects on Host Pathways","Signaling by FGFR2 in disease","G1 Phase","Major pathway of rRNA processing 
in the nucleolus and cytosol","FCERI mediated Ca+2 mobilization","Interleukin-1 family signaling","EPH-Ephrin signaling","RAF/MAP kinase cascade","Generation of second messenger molecules","Regulation
 of TP53 Activity","VEGF binds to VEGFR leading to receptor dimerization","The role of Nef in HIV-1 replication and disease pathogenesis","Regulation of IFNA signaling","MyD88-independent TLR4 cascade
","Imatinib-resistant PDGFR mutants","Post NMDA receptor activation events","Activation of TRKA receptors",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","MyD88 cascade initiated on plasma membrane"
,"Activation of RAC1","Sema4D in semaphorin signaling","Dasatinib-resistant KIT mutants","RUNX1 regulates transcription of genes involved in BCR signaling","Centrosome maturation","Anti-inflammatory r
esponse favouring Leishmania parasite infection","FGFR1 mutant receptor activation","Leishmania phagocytosis","Signaling by FGFR3 point mutants in cancer","VEGFR2 mediated cell proliferation","Mitotic
 Anaphase","Signaling downstream of RAS mutants","IRS-mediated signalling","Visual phototransduction","Interleukin-15 signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Inhibition of PKR",
"FGFR2 mutant receptor activation","Role of ABL in ROBO-SLIT signaling","Cyclin D associated events in G1","Signalling to ERKs","Signalling to ERK5","Interleukin-1 signaling","EPHB-mediated forward si
gnaling","Regulation of TP53 Expression and Degradation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","TRIF(TICAM1)-mediated TLR4 signaling","Regula
tion of TP53 Activity through Phosphorylation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","NGF-independant TRKA activation","MAP kinase activation","Sema4D medi
ated inhibition of cell attachment and migration","Loss of proteins required for interphase microtubule organization from the centrosome","FCGR3A-mediated IL10 synthesis","Signaling by activated point
 mutants of FGFR1","Sema4D induced cell migration and growth-cone collapse","FCGR3A-mediated phagocytosis","FGFR3 mutant receptor activation","Separation of Sister Chromatids","PI3K Cascade","The phot
otransduction cascade","EGFR Transactivation by Gastrin","Activation of AMPK downstream of NMDARs","Activated point mutants of FGFR2","Prolonged ERK activation events","Activation of RAC1 downstream o
f NMDARs","Regulation of TP53 Degradation","Nef Mediated CD4 Down-regulation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Ras activation upon Ca2+ influx through NMDA receptor","activated 
TAK1 mediates p38 MAPK activation","MAPK targets/ Nuclear events mediated by MAP kinases","Loss of Nlp from mitotic centrosomes","Signaling by activated point mutants of FGFR3",Inactivation,"recovery 
and regulation of the phototransduction cascade","IKK complex recruitment mediated by RIP1","Frs2-mediated activation","ARMS-mediated activation","CREB phosphorylation","Activation of the AP-1 family 
of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{N-methyl-2-((3-(2-(2-pyridinyl)ethenyl)-1H-indazol-6-yl)thio)benzamide,Nmethyl2((3(2(2pyridinyl)ethenyl)1Hindazol6yl)thio)benzamide,Kinome_3641,Kinome3641,Kinome-3641,"Kinome 3641","Axitinib-(13C,d3)
","Axitinib(13C,d3)",CHEMBL1988437,HMS3244B04,HMS3244B08,HMS3244B12,HMS3654I03,HMS3674G15,1261432-00-1,1261432001,ANW-61822,ANW61822,AKOS030228495,NCGC00241108-03,NCGC0024110803,AK106979,FT-0659483,FT
0659483,Q,T1452,S1005,Axitinib,AXITINIB}

> <pdid>
PD003216

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

> <classes>
{}

> <pubchem_cids>
{3086685}

$$$$
Broad_2021
  SciTegic11012413022D

 33 38  0  0  0  0            999 V2000
    6.4924   -3.7566    0.0000 C   0  0
    5.1945   -3.0045    0.0000 N   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -2.7390   -2.9810    0.0000 C   0  0
   -4.2067   -3.2906    0.0000 C   0  0
   -4.8189   -4.6599    0.0000 O   0  0
   -4.9546   -1.9904    0.0000 N   0  0
   -3.9491   -0.8772    0.0000 C   0  0
   -4.2500    0.5923    0.0000 O   0  0
   -1.6193   -3.9804    0.0000 C   0  0
   -0.2027   -3.5242    0.0000 C   0  0
    0.6571   -4.7533    0.0000 N   0  0
   -0.2458   -5.9501    0.0000 C   0  0
    0.0398   -7.4227    0.0000 C   0  0
   -1.0927   -8.4063    0.0000 C   0  0
   -2.5108   -7.9173    0.0000 C   0  0
   -2.7963   -6.4448    0.0000 C   0  0
   -1.6639   -5.4612    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  2  0
 17  8  1  0
 16 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 18  1  0
 23 24  2  0
 19 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 25  1  0
 33 28  1  0
M  END
> <name>
Broad_2021

> <id>
33690

> <plate>
Plate_1

> <well>
N12

> <supplier_cmpd_name>
Sotrastaurin

> <ctcr_id>
4215

> <supplier_cmpd_id>
Sotrastaurin

> <smiles>
CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4=O)c5c[nH]c6ccccc56

> <pd_targets>
{PTK2,AKT1,PKN2,PRKCB,PRKCA,KDR,JAK1,AXL,MST1R,BRSK1,RPS6KB1,PRKCD,FLT4,PDK1,PRKCZ,PRKCH,PRKCE,CCNA1,CCNA2,CDK2,CAMK2A,GSK3A,PIM1,PRKCI,FER,MAP4K5,CYP3A4,CAMK2D,GSK3B,PRKCQ,PRKAA1,MARK3,JAK3,FYN,ERBB2
,TAOK1,PIM3,DYRK3,CDK1,GRK5,PDGFRB,CAMK2B,SLK,PLK1,PRKG1,MAP4K4,STK3,AKT2,CDK5,MINK1,PRKCG,CAMK1D,RPS6KA3,SGK2,CAMK2G,LRRK2,PIM2,PDPK1,ABL1,EGFR,MAP2K1,LTK,PRKD1,PRKD3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 3","TK protein kinase group","AGC protein kinase group","CAMK protein kinase group","Atypical protein kinase group","CMGC prot
ein kinase group","STE protein kinase group","Cytochrome P450 family 3A","Other protein kinase group","TKL protein kinase group","Tyrosine protein kinase Fak family","AGC protein kinase AKT family","A
GC protein kinase PKN family","AGC protein kinase PKC family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase JakA family","Tyrosine protein kinase Axl family","Tyrosine protein kinase
 Met family","CAMK protein kinase CAMK1 family","AGC protein kinase RSK family","Atypical protein kinase PDHK subfamily","CMGC protein kinase CDK family","CAMK protein kinase CAMK2 family","CMGC prote
in kinase GSK family","CAMK protein kinase PIM family","Tyrosine protein kinase Fer family","STE protein kinase STE20 family","Cytochrome P450 3A4","Tyrosine protein kinase Src family","Tyrosine prote
in kinase EGFR family","CMGC protein kinase DYRK family","AGC protein kinase GRK family","Tyrosine protein kinase PDGFR family","Other protein kinase PLK family","AGC protein kinase PKG family","AGC p
rotein kinase SGK family","TKL protein kinase LRRK family","AGC protein kinase PDK1 subfamily","Tyrosine protein kinase Abl family","STE protein kinase STE7 family","Tyrosine protein kinase Alk family
","AGC protein kinase PKC alpha subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinase p70 subfamily","AGC protein kinase PKC delta subfamily","AGC protein kinase PKC iota subfamily","AGC
 protein kinase PKC eta subfamily","CMGC protein kinase CDC2 subfamily","STE protein kinase KHS subfamily","CAMK protein kinase AMPK subfamily","CAMK protein kinase MARK subfamily","Tyrosine protein k
inase SrcA","STE protein kinase TAO subfamily","CMGC protein kinase Dyrk2 subfamily","AGC protein kinase GRK subfamily","STE protein kinase SLK subfamily","STE protein kinase MSN subfamily","STE prote
in kinase MST subfamily","CMGC protein kinase CDK5 subfamily","AGC protein kinase RSK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases",Atypi
cal,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CYP3 family","TK: Tyrosine kinase","Akt (Protein kinase B","PKB) family","Prot
ein kinase N (PKN) family","Protein kinase C (PKC) family","CAMK-like (CAMKL) family","RSK family","PDHK family","CAMK2 family","Glycogen synthase kinase (GSK) family","PIM family","STE20 family","Dua
l-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Cyclin-dependent kinase (CDK) family","G protein-coupled receptor kinases (GRKs)","Other protein kinases","Protein kinase G 
(PKG) family","CAMK1 family","SGK family","TKL: Tyrosine kinase-like","PDK1 family","STE7 family","Non-receptor tyrosine kinases (nRTKs)","Alpha subfamily","Delta subfamily","Receptor tyrosine kinases
 (RTKs)","BRSK subfamily","p70 subfamily","Iota subfamily","Eta subfamily","GSK subfamily","KHS subfamily","AMPK subfamily","MARK subfamily","TAO subfamily","Dyrk2 subfamily","CDK1 subfamily","GRK4 su
bfamily","SLK subfamily","Polo-like kinase (PLK) family","MSN subfamily","MST subfamily","CDK5 subfamily","RSK subfamily","Leucine-rich repeat kinase (LRRK) family","Fak family","Type IV RTKs: VEGF (v
ascular endothelial growth factor) receptor family","Janus kinase (JakA) family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor fa
mily","Fer family","Src family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Abl family","Type XIX RTKs: Leukocyte tyrosine kin
ase (LTK) receptor family"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Signal Transduction","Cell Cycle","Immune System",Metabolism,"Neuronal System","Developmental Biology",Hemostasis,"Cellular responses to external stimuli","
Transport of small molecules","Infectious disease","RNA Polymerase II Transcription","Signaling by Rho GTPases",Mitotic,"Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","Cytokine Signaling
 in Immune system","MTOR signalling","Intracellular signaling by second messengers","The citric acid (TCA) cycle and respiratory electron transport","Signaling by Nuclear Receptors","Innate Immune Sys
tem","Transmission across Chemical Synapses","Diseases of signal transduction by growth factor receptors and second messengers","Death Receptor Signalling","Metabolism of lipids","Nervous system devel
opment","Platelet homeostasis","Cellular responses to stress","Signaling by Hippo","Ion channel transport","Signaling by Non-Receptor Tyrosine Kinases","Leishmania infection","Generic Transcription Pa
thway","RHO GTPase Effectors","M Phase","GPCR downstream signalling","Signaling by VEGF","Interferon Signaling","Signaling by MST1","mTORC1-mediated signalling","DAG and IP3 signaling","Pyruvate metab
olism and Citric Acid (TCA) cycle","ESR-mediated signaling","Fcgamma receptor (FCGR) dependent phagocytosis","Neurotransmitter receptors and postsynaptic signal transmission","SARS-CoV Infections","FL
T3 signaling in disease","p75 NTR receptor-mediated signalling","Signaling by SCF-KIT","Biosynthesis of specialized proresolving mediators (SPMs)","Oncogenic MAPK signaling","Signaling by Interleukins
","HIV Infection","Axon guidance","Regulation of mitotic cell cycle","PIP3 activates AKT signaling","Mitotic G2-G2/M phases","Nitric oxide stimulates guanylate cyclase","Cellular Senescence","Signalin
g by Insulin receptor","Toll-like Receptor Cascades","Stimuli-sensing channels","Signaling by PTK6","Signaling by NTRKs","Parasite infection","Transcriptional Regulation by TP53","RHO GTPases activate
 PKNs","Mitotic Prophase","G alpha (i) signalling events","VEGFA-VEGFR2 Pathway","Antiviral mechanism by IFN-stimulated genes","CaM pathway","VEGF ligand-receptor interactions","Pyruvate metabolism","
Extra-nuclear estrogen signaling","G alpha (z) signalling events","Role of phospholipids in phagocytosis","Activation of NMDA receptors and postsynaptic events","SARS-CoV-1 Infection","Signaling by FL
T3 ITD and TKD mutants","p75NTR signals via NF-kB","Biosynthesis of DHA-derived SPMs","Signaling by RAS mutants","Interleukin-2 family signaling","Host Interactions of HIV factors","Semaphorin interac
tions","Mitotic Metaphase and Anaphase","APC/C-mediated degradation of cell cycle proteins","G alpha (q) signalling events","Negative regulation of the PI3K/AKT network","G2/M Transition","cGMP effect
s","Oxidative Stress Induced Senescence","Insulin receptor signalling cascade","Glutamate binding","activation of AMPA receptors and synaptic plasticity","Toll Like Receptor 5 (TLR5) Cascade","PTK6 pr
omotes HIF1A stabilization","Signaling by NTRK1 (TRKA)","Leishmania phagocytosis","Regulation of TP53 Activity","Nuclear Envelope Breakdown","Visual phototransduction","VEGFR2 mediated cell proliferat
ion","ISG15 antiviral mechanism","Calmodulin induced events","VEGF binds to VEGFR leading to receptor dimerization","Regulation of pyruvate dehydrogenase (PDH) complex","Estrogen-stimulated signaling 
through PRKCZ","Post NMDA receptor activation events","SARS-CoV-1 Genome Replication and Transcription","STAT5 activation downstream of FLT3 ITD mutants","p75NTR recruits signalling complexes","Biosyn
thesis of maresins","Signaling downstream of RAS mutants","Interleukin-15 signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Sema4D in semaphorin signaling","Mitotic Anaphase"
,"Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Centrosome maturation","IRS-mediated signalling","Trafficking of AMPA 
receptors","MyD88 cascade initiated on plasma membrane","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","FCGR3A-mediated phagocytosis","Regulation of TP53 Expression and Degrad
ation","Depolymerisation of the Nuclear Lamina","The phototransduction cascade","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Replication of the SARS-CoV-1 genome
","Biosynthesis of maresin-like SPMs","Regulation of TP53 Activity through Phosphorylation","Nef and signal transduction","Sema4D induced cell migration and growth-cone collapse","Separation of Sister
 Chromatids","APC/C:Cdc20 mediated degradation of mitotic proteins","Loss of proteins required for interphase microtubule organization from the centrosome","PI3K Cascade","Trafficking of GluR2-contain
ing AMPA receptors","MAP kinase activation","EGFR Transactivation by Gastrin","Prolonged ERK activation events","Regulation of TP53 Degradation",Inactivation,"recovery and regulation of the phototrans
duction cascade","Ras activation upon Ca2+ influx through NMDA receptor","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Loss of Nlp from mit
otic centrosomes","PKB-mediated events","MAPK targets/ Nuclear events mediated by MAP kinases","Frs2-mediated activation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","PDE3B signalling","CRE
B phosphorylation"}

> <broad_targets>
{PRKCA,PRKCB,PRKCD,PRKCE,PRKCH,PRKCQ}

> <broad_moa>
{"PKC inhibitor"}

> <synonyms>
{Sotrastaurin,425637-18-9,425637189,AEB071,"Sotrastaurin (AEB071)",AEB-071,UNII-7I279E1NZ8,UNII7I279E1NZ8,NVP-AEB071,NVPAEB071,"AEB 071",CHEBI:90531,7I279E1NZ8,"Sotrastaurin (USAN:INN)",sotrastaurina,
sotrastaurine,sotrastaurinum,Kinome_2717,Kinome2717,Kinome-2717,"Kinome 2717","Sotrastaurin (USAN/INN)",NVP-AEB-071,CHEMBL,T6278,16726,S2791,sotrastaurin}

> <pdid>
PD003283

> <targets>
{PKC}

> <classes>
{TGF-beta/Smad,Epigenetics}

> <pubchem_cids>
{10296883}

$$$$
Broad_2021
  SciTegic11012413022D

 30 32  0  0  1  0            999 V2000
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 C   0  0
    6.5005   -2.2411    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0  2  0  0  0
    1.2982   -3.7531    0.0000 C   0  0
    1.2961   -5.2539    0.0000 C   0  0
    2.5943   -6.0070    0.0000 C   0  0  2  0  0  0
    2.5944   -7.5070    0.0000 C   0  0
    3.8934   -8.2570    0.0000 C   0  0  1  0  0  0
    3.8934   -9.7570    0.0000 O   0  0
    5.1924   -7.5071    0.0000 C   0  0
    5.1925   -6.0071    0.0000 C   0  0
    6.4915   -5.2571    0.0000 O   0  0
    3.8935   -5.2570    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  3  6  1  0
  6  7  2  0
  6  8  1  0
  9  8  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  6
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  1
 20 21  1  0
 22 21  1  1
 22 23  1  0
 23 24  1  0
 24 25  1  6
 24 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 22  1  0
 19 30  1  0
 30  9  1  0
 30 14  1  6
M  END
> <name>
Broad_2021

> <id>
33691

> <plate>
Plate_1

> <well>
O12

> <supplier_cmpd_name>
Simvastatin

> <ctcr_id>
3301

> <supplier_cmpd_id>
Simvastatin

> <smiles>
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12

> <pd_targets>
{HMGCR,AMPC,BCHE,CYP2C8,HMG1,ABCB11,FTL,ACHE,ABCB1,SLCO1B1,ABCC2,ITGAL,HDAC2,ALDH1A1,USP2,KDM4E,SMN1,RORC,CYP3A4}

> <pathway_gtopdb>
{Enzyme,Transporter,"Unclassified protein",Adhesion,"Epigenetic regulator","Transcription factor",Oxidoreductase,Hydrolase,"Cytochrome P450","Primary active transporter","Electrochemical transporter",
Eraser,Protease,Reader,"Nuclear receptor","Cytochrome P450 family 2","ATP-binding cassette","SLC superfamily of solute carriers","Histone deacetylase","Cysteine protease","Lysine demethylase","Methyl-
lysine/arginine binding protein","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Cytochrome P450 family 2C","ABCB subfamily","SLC21/SLCO family of organic anion transporting polypep
tides","ABCC subfamily","HDAC class I","Cysteine protease CA clan","Jumonji domain-containing","Tudor domain","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Cytochrome P45
0 2C8","Cysteine protease C19 family","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Lanosterol biosynthesis pathway","Acetylcholine turnover","Cytochrome P450","ATP-binding cassette transporter family","SLC superfamily of solute carriers","Catalytic r
eceptors","Chromatin modifying enzymes","Peptidases and proteinases","Nuclear hormone receptors","CYP2 family: drug metabolising subset","ABCB subfamily","SLCO family of organic anion transporting pol
ypeptides","ABCC subfamily",Integrins,"3.5.1.- Histone deacetylases (HDACs)","CA: Cysteine (C) Peptidases","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","CYP3 family","C19: Ubiq
uitin-specific protease"}

> <pathway_reactome>
{Metabolism,"Vesicle-mediated transport",Disease,"Gene expression (Transcription)","Metabolism of RNA","Metabolism of lipids","Biological oxidations","Membrane Trafficking","Abacavir transport and met
abolism","Disorders of transmembrane transporters","RNA Polymerase II Transcription","Metabolism of non-coding RNA","Metabolism of steroids","Phospholipid metabolism","Phase I - Functionalization of c
ompounds","trans-Golgi Network Vesicle Budding","Abacavir transmembrane transport","ABC transporter disorders","Generic Transcription Pathway","snRNP Assembly","Biosynthesis of specialized proresolvin
g mediators (SPMs)","Regulation of cholesterol biosynthesis by SREBP (SREBF)","Glycerophospholipid biosynthesis","Cytochrome P450 - arranged by substrate type","Bile acid and bile salt metabolism","Go
lgi Associated Vesicle Biogenesis","Defective ABCC2 causes DJS","Transcriptional regulation by RUNX3","Transcriptional Regulation by TP53","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Activ
ation of gene expression by SREBF (SREBP)","Synthesis of PC",Xenobiotics,"Synthesis of bile acids and bile salts","Recycling of bile acids and salts","RUNX3 Regulates Immune Response and Cell Migratio
n","Regulation of TP53 Activity","Biosynthesis of maresins","CYP2E1 reactions","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Regulation of TP53 Activity through Acetylation",
"Regulation of TP53 Expression and Degradation","Biosynthesis of maresin-like SPMs","Regulation of TP53 Degradation"}

> <broad_targets>
{HMGCR,ITGB2}

> <broad_moa>
{"HMGCR inhibitor"}

> <synonyms>
{79902-63-9,79902639,"79902 63 9",Zocor,Synvinolin,Sinvacor,Denan,Lipex,MK-733,MK733,"MK 733",Sivastin,Lodales,Simvastatine,Cholestat,Colemin,Simovil,Medipo,Pantok,Simvastatina,Simvastatinum,Velostati
n,Zocord,Zorced,"Simvastatin lactone","Simvastatin (Zocor)",Lipovas,T0687,1965,SAM002589969,1504236,Prestw-865,Simvastatin,CPD000718785,SIMVASTATIN}

> <pdid>
PD001216

> <targets>
{Apoptosis,Autophagy,Ferroptosis,HMG-CoA Reductase (HMGCR),Mitophagy}

> <classes>
{antihyperlipidemic,HMGCoA reductase inhibitor,Apoptosis,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{54454}

$$$$
Broad_2021
  SciTegic11012413022D

 27 28  0  0  0  0            999 V2000
   10.3996   -1.4837    0.0000 O   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    7.8029   -2.9887    0.0000 O   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Br  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
   -1.2946   -3.7547    0.0000 C   0  0
   -2.5943   -3.0056    0.0000 C   0  0
   -3.8928   -3.7565    0.0000 C   0  0
   -3.8918   -5.2565    0.0000 C   0  0
   -5.1904   -6.0073    0.0000 I   0  0
   -2.5923   -6.0056    0.0000 C   0  0
   -1.2937   -5.2548    0.0000 C   0  0
    0.0058   -6.0039    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 10  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 20  1  0
 26 27  1  0
M  END
> <name>
Broad_2021

> <id>
33692

> <plate>
Plate_1

> <well>
P12

> <supplier_cmpd_name>
PD318088

> <ctcr_id>
3190

> <supplier_cmpd_id>
PD318088

> <smiles>
OCC(O)CONC(=O)c1cc(Br)c(F)c(F)c1Nc2ccc(I)cc2F

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{PD318088,391210-00-7,391210007,PD-318088,PD0318088,"PD 318088",C16H13BrF3IN2O4,cc-457,cc457,MLS006011053,SCHEMBL2721678,CHEMBL3182051,AOB4984,DTXSID50437004,BCPP000120,HMS3655I05,BCP02260,EX-A2126,EX
A2126,ABP000924,s1568,AKOS027314103,BCP9001066,CCG-270050,CCG270050,CS-0222,CS0222,NCGC0,T6152,S1568}

> <pdid>
PD003682

> <targets>
{MEK}

> <classes>
{MAPK}

> <pubchem_cids>
{10231331}

$$$$
Broad_2021
  SciTegic11012413022D

 22 22  0  0  0  0            999 V2000
   12.0558    3.5776    0.0000 H   0  3
    9.5558    3.5776    0.0000 Br  0  5
    6.5152    8.6544    0.0000 C   0  0
    6.0519    7.2277    0.0000 C   0  0
    7.0558    6.1132    0.0000 C   0  0
    6.5925    4.6865    0.0000 C   0  0
    5.1253    4.3743    0.0000 C   0  0
    4.1214    5.4890    0.0000 C   0  0
    4.5847    6.9156    0.0000 C   0  0
    4.6588    2.9478    0.0000 C   0  0
    5.6608    1.8315    0.0000 O   0  0
    3.1904    2.6376    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    5.1065    0.0000    0.0000 N   0  0
    2.7248   -1.2135    0.0000 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  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  3
 18 13  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
Broad_2021

> <id>
33693

> <plate>
Plate_1

> <well>
A13

> <supplier_cmpd_name>
Pifithrin-alpha hydrobromide

> <ctcr_id>
4881

> <supplier_cmpd_id>
Pifithrin-alpha hydrobromide

> <smiles>
[H+].[Br-].Cc1ccc(cc1)C(=O)CN2C(=N)SC3=C2CCCC3

> <pd_targets>
{HSD17B10,SMN1,TSHR,MAPT,TP53,ALOX15,LEF,ALDH1A1,RORC,MAPK1,KMT2A,MEN1,CYP3A4,CYP1B1,CYP1A1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Other cytosolic protein","Transcription factor",Oxidoreductase,Reader,"Family A G protein-coupled receptor",Protease,"Nuclear receptor",Kinase,"Cyto
chrome P450","Methyl-lysine/arginine binding protein","Peptide receptor (family A GPCR)","Metallo protease","Nuclear hormone receptor subfamily 1","Protein Kinase",Bromodomain,"Cytochrome P450 family 
3","Cytochrome P450 family 1","Tudor domain","Glycohormone receptor","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Cytochrome P450 family 3A",
"Cytochrome P450 family 1B","Cytochrome P450 family 1A","Metallo protease M34 family","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cytochrome P450 3A4","C
ytochrome P450 1B1","Cytochrome P450 1A1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Eicosanoid turnover","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Glycoprotein hormone receptors",Lipoxygenases,"1F. Retinoic
 acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","CYP1 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Metabolism of RNA",Disease,"Neuronal System","Cell Cycle","Gene expression (Transcription)","Immune System","Metabolism of amino acids and derivatives","Metabolism of non-coding RNA","Inf
ectious disease","Transmission across Chemical Synapses","Cell Cycle Checkpoints","Metabolism of lipids","Biological oxidations","RNA Polymerase II Transcription","Innate Immune System","Branched-chai
n amino acid catabolism","snRNP Assembly","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","G1/S DNA Damage Checkpoints","Biosynthesis of specialized proresolvi
ng mediators (SPMs)","Uptake and actions of bacterial toxins","Phase I - Functionalization of compounds","Generic Transcription Pathway","Toll-like Receptor Cascades","Leishmania parasite growth and s
urvival","Activation of NMDA receptors and postsynaptic events","p53-Dependent G1/S DNA damage checkpoint","Biosynthesis of DPA-derived SPMs","Uptake and function of anthrax toxins","Ethanol oxidation
","Transcriptional regulation by RUNX3","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Anti-inflammatory response favouring Le
ishmania parasite infection","Post NMDA receptor activation events","p53-Dependent G1 DNA Damage Response","Biosynthesis of DPAn-3 SPMs","RUNX3 Regulates Immune Response and Cell Migration","MyD88 cas
cade initiated on plasma membrane","Biosynthesis of maresins","Endogenous sterols",Xenobiotics,"ADORA2B mediated anti-inflammatory cytokines production","Activation of AMPK downstream of NMDARs","Stab
ilization of p53","Biosynthesis of DPAn-3-derived protectins and resolvins","MAP kinase activation","Biosynthesis 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>
{TP53}

> <broad_moa>
{"TP53 inhibitor"}

> <synonyms>
{"Pifithrin-± (hydrobromide)",Pifithrin-±,Pifithrin-alpha,Pifithrinalpha,63208-82-2,63208822,"Pifithrin-alpha hydrobromide","Pifithrinalpha hydrobromide",PFT-alpha,PFTalpha,UNII-D213B92S1Y,UNIID213B92
S1Y,"Pifithrin-alpha (hydrobromide)","Pifithrinalpha (hydrobromide)","Pifithrin-|A (PFT|A)","Pifithrin|A (PFT|A)",CHEMBL556353,D213B92S1Y,MFCD00417851,"pifithrin alpha",Pifithrin-,Pifithrin,"Pifithrin
-|A (PFT|A) HBr","Pifithrin|A (PFT|A) HBr","Pifithrin hydro",T2707,1267,13326,S2929,Pifithrin-±,"Pifithrin-&alpha; hydrobromide","Pifithrin-? (PFT?)","Pifithrin-alpha (PFTalpha)",Pifithrin-± (hydrobro
mide)}

> <pdid>
PD003370

> <targets>
{Autophagy,p53,Aryl Hydrocarbon Receptor,Ferroptosis,MDM-2/p53}

> <classes>
{Apoptosis,Immunology/Inflammation}

> <pubchem_cids>
{9929138,57458948}

$$$$
Broad_2021
  SciTegic11012413022D

 38 43  0  0  0  0            999 V2000
    3.8756   -9.7579    0.0000 C   0  0
    3.8808   -8.2579    0.0000 N   0  0
    5.1824   -7.5124    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 O   0  0
    3.9020    3.7405    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.6012    3.0008    0.0000 N   0  0
   -3.9020    3.7494    0.0000 C   0  0
   -5.1985    2.9949    0.0000 C   0  0
   -5.1934    1.4949    0.0000 Cl  0  0
   -6.5002    3.7404    0.0000 C   0  0
   -6.5054    5.2404    0.0000 C   0  0
   -5.2089    5.9949    0.0000 C   0  0
   -4.9026    7.4624    0.0000 O   0  0
   -3.4113    7.6244    0.0000 C   0  0
   -2.7965    6.2562    0.0000 O   0  0
   -3.9073    5.2494    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 11 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 22  1  0
 31 27  2  0
 20 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 19  1  0
 35 36  2  0
 36  9  1  0
  5 37  1  0
 37 38  1  0
 38  2  1  0
M  END
> <name>
Broad_2021

> <id>
33694

> <plate>
Plate_1

> <well>
B13

> <supplier_cmpd_name>
Saracatinib

> <ctcr_id>
1479

> <supplier_cmpd_id>
Saracatinib

> <smiles>
CN1CCN(CCOc2cc(OC3CCOCC3)c4c(Nc5c(Cl)ccc6OCOc56)ncnc4c2)CC1

> <pd_targets>
{SRC,KDR,CSK,YES1,LCK,KIT,ABL1,PKMYT1,EGFR,CDK2,PDGFRA,MAP2K1,MAP2K2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","CMGC protein kinase group","STE protein kinase group","Tyrosine protein kinase Src family","Tyrosine protein kin
ase VEGFR family","Tyrosine protein kinase Csk family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Abl family","Other protein kinase WEE family","Tyrosine protein kinase EGFR famil
y","CMGC protein kinase CDK family","STE protein kinase STE7 family","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TK: Tyrosine kinase","Other protein kinases","Cyclin-dependent kinas
e (CDK) family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","WEE family","CDK1 subfamily","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor 
family","Csk family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Abl family","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Cell Cycle","Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers
","Infectious disease",Mitotic,"Signaling by GPCR","RNA Polymerase II Transcription","Signaling by NTRKs","Signaling by VEGF","Oncogenic MAPK signaling","Leishmania infection","HIV Infection","Signali
ng by KIT in disease","Mitotic G2-G2/M phases","GPCR downstream signalling","Generic Transcription Pathway","Signaling by PDGFR in disease","Signaling by NTRK1 (TRKA)","VEGFA-VEGFR2 Pathway","Signalin
g by RAS mutants","Leishmania parasite growth and survival","Host Interactions of HIV factors","Drug resistance of KIT mutants","Parasite infection","G2/M Transition","G alpha (q) signalling events","
Transcriptional Regulation by TP53","Drug resistance of PDGFR mutants","Signalling to ERKs","VEGFR2 mediated cell proliferation","Signaling downstream of RAS mutants","Anti-inflammatory response favou
ring Leishmania parasite infection","The role of Nef in HIV-1 replication and disease pathogenesis","Dasatinib-resistant KIT mutants","Leishmania phagocytosis","Cyclin A/B1/B2 associated events during
 G2/M transition","Gastrin-CREB signalling pathway via PKC and MAPK","Regulation of TP53 Activity","Imatinib-resistant PDGFR mutants","Signalling to RAS","FCGR3A-mediated IL10 synthesis","Nef-mediates
 down modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","Regulation of TP53 Expression and Degradation","p3
8MAPK events","Nef Mediated CD4 Down-regulation","Regulation of TP53 Degradation"}

> <broad_targets>
{ABL1,LCK,SRC,YES1}

> <broad_moa>
{"SRC inhibitor"}

> <synonyms>
{Saracatinib,379231-04-6,379231046,"Saracatinib (AZD0530)",AZD0530,AZD-0530,"AZD 0530",UNII-9KD24QGH76,UNII9KD24QGH76,"SARACATINIB, FREE BASE",9KD24QGH76,CHEMBL217092,H8H,nchembio866-comp19,nchembio86
6comp19,"Saracatinib (USAN:INN)",2h8h,"Saracatinib,AZD0530","Saracatinib (USAN",T6078,S1006,saracatinib,AZD0530(Saracatinib),SARACATINIB}

> <pdid>
PD003218

> <targets>
{Src-bcr-Abl,"SRC/ABL Inhibitors",ABL,SRC,Autophagy,Src}

> <classes>
{Autophagy,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{10302451}

$$$$
Broad_2021
  SciTegic11012413022D

 28 28  0  0  0  0            999 V2000
   10.3730  -15.0261    0.0000 C   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 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
    5.1937   -3.0093    0.0000 C   0  0
    5.1912   -4.5090    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
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8983    0.7459    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -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  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
 11 13  1  0
 11 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 18 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  2  0
 26 17  1  0
 26 27  1  0
 27 28  1  0
M  END
> <name>
Broad_2021

> <id>
33695

> <plate>
Plate_1

> <well>
C13

> <supplier_cmpd_name>
CI 976

> <ctcr_id>
8302

> <supplier_cmpd_id>
CI 976

> <smiles>
CCCCCCCCCCC(C)(C)C(=O)Nc1c(OC)cc(OC)cc1OC

> <pd_targets>
{SOAT1,TSHR,ACAT,MAPT,TP53,ALOX15,LEF,CYP3A4,KDM4E}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other cytosolic protein","Transcription factor","Epigenetic regulator",Transferase,"Family A G protein-coupled receptor",Protease,Oxidoreductase,"Cytochrome P450",Eraser,"
Peptide receptor (family A GPCR)","Cysteine protease","Metallo protease","Cytochrome P450 family 3","Lysine demethylase","Glycohormone receptor","Cysteine protease CA clan","Metallo protease MAE clan"
,"Cytochrome P450 family 3A","Jumonji domain-containing","Cysteine protease C1A family","Metallo protease M34 family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Eicosanoid turnover","Cytochrome P450","Chromatin modifying enzymes","Glycoprotein hormone receptors",Lipoxygenases,"CYP3 family","1.14.11.- Histone d
emethylases"}

> <pathway_reactome>
{"Transport of small molecules",Disease,"Neuronal System","Cell Cycle",Metabolism,"Plasma lipoprotein assembly",remodeling,"and clearance","Infectious disease","Transmission across Chemical Synapses",
"Cell Cycle Checkpoints","Metabolism of lipids","Plasma lipoprotein clearance","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","G1/S DNA Damage Checkpoints","B
iosynthesis of specialized proresolving mediators (SPMs)","Uptake and actions of bacterial toxins","LDL clearance","Leishmania parasite growth and survival","Activation of NMDA receptors and postsynap
tic events","p53-Dependent G1/S DNA damage checkpoint","Biosynthesis of DPA-derived SPMs","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPMs","Anti-inflammatory response favouri
ng Leishmania parasite infection","Post NMDA receptor activation events","p53-Dependent G1 DNA Damage Response","Biosynthesis of DPAn-3 SPMs","Biosynthesis of maresins","ADORA2B mediated anti-inflamma
tory cytokines production","Activation of AMPK downstream of NMDARs","Stabilization of p53","Biosynthesis of DPAn-3-derived protectins and resolvins","Biosynthesis of maresin-like SPMs","Autodegradati
on of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{ACAT1,CES1}

> <broad_moa>
{"ACAT inhibitor"}

> <synonyms>
{"CI 976",114289-47-3,114289473,"2,2-Dimethyl-N-(2,4,6-trimethoxyphenyl)dodecanamide","2,2DimethylN(2,4,6trimethoxyphenyl)dodecanamide",CI-976,CI976,"PD 128042",CHEMBL22373,UNII-8653IQ20EA,UNII8653IQ2
0EA,8653IQ20EA,"Dodecanamide, 2,2-dimethyl-N-(2,4,6-trimethoxyphenyl)-","Dodecanamide, 2,2dimethylN(2,4,6trimethoxyphenyl)","BRN 5831010",PD128042,ACMC-1CUXF,ACMC1CUXF,PD-128042,SCHEMBL69168,2227,C374
3}

> <pdid>
PD002665

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{122327}

$$$$
Broad_2021
  SciTegic11012413022D

 22 23  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 O   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 S   0  0
   -2.5983   -3.0004    0.0000 O   0  0
   -3.8975   -2.2510    0.0000 O   0  0
   -3.8990   -0.7508    0.0000 N   0  0
   -5.1988   -1.5013    0.0000 C   0  0
   -6.4994   -0.7540    0.0000 C   0  0
   -7.7969   -1.5066    0.0000 C   0  0
   -7.7938   -3.0066    0.0000 C   0  0
   -6.4933   -3.7540    0.0000 C   0  0
   -5.1958   -3.0013    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 11 13  1  0
 13 14  2  0
 13 15  2  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  END
> <name>
Broad_2021

> <id>
33696

> <plate>
Plate_1

> <well>
D13

> <supplier_cmpd_name>
Belinostat

> <ctcr_id>
7095

> <supplier_cmpd_id>
Belinostat

> <smiles>
ONC(=O)/C=C/c1cccc(c1)[S](=O)(=O)Nc2ccccc2

> <pd_targets>
{HDAC6,HDAC8,HDAC9,HDAC1,HDAC4,HDAC3,HDAC11,HDAC2,HDAC7,BRD4,HDAC5,HDAC10}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,Reader,"Histone deacetylase",Bromodomain,"HDAC class IIb","HDAC class I","HDAC class IIa","HDAC class IV"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","3.5.1.- Histone deacetylases (HDACs)","Enzymatic bromodomain-containing proteins","Bromodomain kinase (BRDK) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle",Disease,"RNA Polymerase II Transcription",Mitotic,"Diseases of signal transduction by growth factor receptors and second messengers","Disorders of Devel
opmental Biology","Infectious disease","Generic Transcription Pathway","M Phase","Signaling by NOTCH1 in Cancer","Disorders of Nervous System Development","SARS-CoV Infections","Transcriptional regula
tion by RUNX2","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Pervasive developmental disorders","Transcriptional Regulation by TP53","Potential therapeutics 
for SARS","RUNX2 regulates bone development","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Loss of function of MECP2 in Rett syndrome","Regulation of TP53 Activity","RU
NX2 regulates osteoblast differentiation","Separation of Sister Chromatids","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates chondrocyte maturation","Loss of MECP2 binding ability to the NC
oR/SMRT complex","Regulation of TP53 Activity through Acetylation"}

> <broad_targets>
{HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9}

> <broad_moa>
{"HDAC inhibitor"}

> <synonyms>
{SW219445-1,SW2194451,EC-000.2286,EC000.2286,Belinostat,414864-00-9,414864009,PXD101,"Belinostat (PXD101)",866323-14-0,866323140,PXD-101,Beleodaq,(E)-N-hydroxy-3-(3-(N-phenylsulfamoyl)phenyl)acrylamid
e,(E)Nhydroxy3(3(Nphenylsulfamoyl)phenyl)acrylamide,NSC726630,N-HYDROXY-3-(3-PHENYLSULFAMOYLPHENYL)ACRYLAMIDE,NHYDROXY3(3PHENYLSULFAMOYLPHENYL)ACRYLAMIDE,"PXD 101",UNII-F4H96P17NZ,UNIIF4H96P17NZ,N-HYD
,NHYD,T1852,758774,S1085,belinostat}

> <pdid>
PD003512

> <targets>
{HDAC,Autophagy}

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

> <pubchem_cids>
{6918638}

$$$$
Broad_2021
  SciTegic11012413022D

 11 11  0  0  0  0            999 V2000
    2.1621   -7.4180    0.0000 C   0  0
    1.2830   -6.2026    0.0000 C   0  0
    1.8954   -4.8324    0.0000 C   0  0
    3.3874   -4.6783    0.0000 C   0  0
    1.0157   -3.6164    0.0000 S   0  0
    1.6281   -2.2462    0.0000 S   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  2  0
M  END
> <name>
Broad_2021

> <id>
33697

> <plate>
Plate_1

> <well>
E13

> <supplier_cmpd_name>
PX 12

> <ctcr_id>
8307

> <supplier_cmpd_id>
PX 12

> <smiles>
CCC(C)SSc1[nH]ccn1

> <pd_targets>
{TXNRD1,REP,TXN}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase,Transferase}

> <pathway_chembl>
{"Other protein targets","Anti-infective targets","Viral protein targets","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"RNA Polymerase II Transcription","Infectious disease","Generic Transcription Pathway","SARS-CoV Infections","Leishmania infection","Transcriptional Regulati
on by TP53","SARS-CoV-2 Infection","Cell recruitment (pro-inflammatory response)","TP53 Regulates Metabolic Genes","SARS-CoV-2 Genome Replication and Transcription","Purinergic signaling in leishmania
sis infection","Replication of the SARS-CoV-2 genome"}

> <broad_targets>
{CNR1,TXN}

> <broad_moa>
{"thioredoxin inhibitor"}

> <synonyms>
{X1,PX-12,PX12,141400-58-0,141400580,2-(sec-butyldisulfanyl)-1h-imidazole,2(secbutyldisulfanyl)1himidazole,"PX 12",2-(butan-2-yldisulfanyl)-1H-imidazole,2(butan2yldisulfanyl)1Himidazole,IV-2,IV2,2-((1
-methylpropyl)dithio)-1H-imidazole,2((1methylpropyl)dithio)1Himidazole,"1-Methylpropyl-2-imidazolyl disulfide","1Methylpropyl2imidazolyl disulfide",2-((1-Methylpropyl)dithio)-1H-imidazole,2((1Methylpr
opyl)dithio)1Himidazole,CHEMBL406050,1H-Imidaz,1HImidaz,T2283,2954,M5324}

> <pdid>
PD003683

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{219104}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33698

> <plate>
Plate_1

> <well>
F13

> <supplier_cmpd_name>
Docetaxel

> <ctcr_id>
4639

> <supplier_cmpd_id>
Docetaxel

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 26 29  0  0  0  0            999 V2000
    3.8716   -8.2615    0.0000 O   0  0
    2.5765   -7.5048    0.0000 C   0  0
    1.2731   -8.2489    0.0000 N   0  0
    1.2648   -9.7497    0.0000 C   0  0
   -0.0368  -10.4952    0.0000 C   0  0
   -0.0421  -11.9952    0.0000 C   0  0
    1.2544  -12.7497    0.0000 C   0  0
    2.5560  -12.0043    0.0000 C   0  0
    2.5612  -10.5043    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 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  2 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
 13 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 20  1  0
 25 26  2  0
 26 17  1  0
M  END
> <name>
Broad_2021

> <id>
33699

> <plate>
Plate_1

> <well>
G13

> <supplier_cmpd_name>
PF 750

> <ctcr_id>
8270

> <supplier_cmpd_id>
PF 750

> <smiles>
O=C(Nc1ccccc1)N2CCC(CC2)Cc3cnc4ccccc4c3

> <pd_targets>
{FAAH,EPHX2}

> <pathway_gtopdb>
{Enzyme,Hydrolase,Protease,"Serine protease","Serine protease SC clan","Serine protease S33 family"}

> <pathway_chembl>
{Enzymes,"Endocannabinoid turnover",Hydrolases,"<i>N</i>-Acylethanolamine turnover"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Fatty acid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Arachidonic acid metabolism","Biosynthesis of DHA-derived SPMs","Biosynthesis of
 maresins"}

> <broad_targets>
{FAAH}

> <broad_moa>
{"FAAH inhibitor"}

> <synonyms>
{"PF 750",PF-750,PF750,959151-50-9,959151509,N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide,Nphenyl4(quinolin3ylmethyl)piperidine1carboxamide,UNII-7756CPP14K,UNII7756CPP14K,"1-Piperidinecarb
oxamide, N-phenyl-4-(3-quinolinylmethyl)-","1Piperidinecarboxamide, Nphenyl4(3quinolinylmethyl)",7756CPP14K,N-Phenyl-4-(3-quinolinylmethyl)-1-piperidinecarboxamide,NPhenyl4(3quinolinylmethyl)1piperidi
necarboxamide,"PF 750 - Bi","PF 750  Bi",3307,10010908}

> <pdid>
PD003308

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{25154868}

$$$$
Broad_2021
  SciTegic11012413022D

 26 30  0  0  1  0            999 V2000
    2.5981    0.0000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    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  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
    5.1962   -3.0000    0.0000 C   0  0  1  0  0  0
    6.5611   -2.3779    0.0000 C   0  0
    3.8971   -3.7500    0.0000 C   0  0  1  0  0  0
    4.2297   -5.2071    0.0000 C   0  0
    5.7224   -5.3544    0.0000 C   0  0
    6.3238   -3.9802    0.0000 C   0  0
    7.7879   -3.6507    0.0000 C   0  0
    8.3435   -2.2630    0.0000 C   0  0
    9.8283   -2.0504    0.0000 C   0  0
   10.7548   -3.2301    0.0000 C   0  0
   10.1964   -4.6223    0.0000 N   0  0
    8.7116   -4.8348    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  1  0
  8  2  1  0
  8  9  2  3
  9 10  1  0
 11 10  1  6
 11 12  1  0
 12  2  1  0
 12 13  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  1
 15 17  1  0
 17 11  1  0
 17 18  1  1
 18 19  1  0
 19 20  2  3
 20 15  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>
Broad_2021

> <id>
33700

> <plate>
Plate_1

> <well>
H13

> <supplier_cmpd_name>
Abiraterone

> <ctcr_id>
679

> <supplier_cmpd_id>
Abiraterone

> <smiles>
C[C@]12CC[C@H](O)CC1=CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC=C4c5cccnc5

> <pd_targets>
{CYP17A1,CYP3A4,CYP21A2,CYP11B1,CYP11B2,SRD5A1,SRD5A2,SRD5A3,AR}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Cytochrome P450",Oxidoreductase,"Nuclear receptor","Cytochrome P450 family 17","Cytochrome P450 family 3","Cytochrome P450 family 21","Cytochrome P450 family 11","Nucle
ar hormone receptor subfamily 3","Cytochrome P450 family 17A","Cytochrome P450 family 3A","Cytochrome P450 family 21A","Cytochrome P450 family 11B","Nuclear hormone receptor subfamily 3 group C","Cyto
chrome P450 17A1","Cytochrome P450 3A4","Cytochrome P450 21A2","Cytochrome P450 11B1","Cytochrome P450 11B2","Nuclear hormone receptor subfamily 3 group C member 4"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Nuclear hormone receptors",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","CYP3 family","Steroid hormone receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Metabolism of lipids","Biological oxidations","RNA Polymerase II Transcription","Metabolism of steroids","Biosynthesis of specialized proresolving mediat
ors (SPMs)","Phase I - Functionalization of compounds","Generic Transcription Pathway","Metabolism of steroid hormones","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type
","Transcriptional regulation by RUNX2","Androgen biosynthesis","Biosynthesis of maresins","Endogenous sterols","RUNX2 regulates bone development","Biosynthesis of maresin-like SPMs","RUNX2 regulates 
osteoblast differentiation"}

> <broad_targets>
{CYP11B1,CYP17A1}

> <broad_moa>
{"androgen biosynthesis inhibitor"}

> <synonyms>
{Abiraterone,154229-19-3,154229193,"(3beta)-17-(3-pyridinyl)-androsta-5,16-dien-3-ol","(3beta)17(3pyridinyl)androsta5,16dien3ol","CB 7598",CB-7598,CB7598,"17-(3-Pyridyl)androsta-5,16-dien-3beta-ol","1
7(3Pyridyl)androsta5,16dien3betaol","Abiraterone (CB-7598)","Abiraterone (CB7598)",UNII-G819A456D0,UNIIG819A456D0,CHEMBL254328,CHEBI:68642,"154229-19-3 (Abiraterone)","154229193 (Abiraterone)",MFCD00,
T6216,749226,S1123,"NSC 749226",abiraterone}

> <pdid>
PD003444

> <targets>
{Cytochrome P450}

> <classes>
{CYP Inhibitor,Metabolic Enzyme/Protease}

> <pubchem_cids>
{132971}

$$$$
Broad_2021
  SciTegic11012413022D

 38 39  0  0  0  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
    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  3
 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
 30 31  1  0
 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>
Broad_2021

> <id>
33701

> <plate>
Plate_1

> <well>
I13

> <supplier_cmpd_name>
Sunitinib malate

> <ctcr_id>
5297

> <supplier_cmpd_id>
Sunitinib malate

> <smiles>
CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c1C.OC(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HMS3244A19,HMS3244A20,HMS3244B19,HMS3295O05,HMS3654M09,BCP01768,"341031-54-7 (malate)","341031547 (malate)",ANW-43713,ANW43713,AK544273,DB-011547,DB011547,"SU 11248 Malate;SU11248 Malate;SU-11248 Mal
ate","SU 11248 Malate;SU11248 Malate;SU11248 Malate",S1042,"Sunitinib Malate"}

> <pdid>

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

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{53394000}

$$$$
Broad_2021
  SciTegic11012413022D

 33 37  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -3.9069    5.2492    0.0000 N   0  0
   -5.2089    5.9957    0.0000 C   0  0
   -5.3543    7.4758    0.0000 C   0  0
   -6.8231    7.7802    0.0000 C   0  0
   -7.4401    9.1474    0.0000 C   0  0
   -7.5665    6.4774    0.0000 N   0  0
   -6.5572    5.3678    0.0000 N   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4939    0.7411    0.0000 S   0  0
   -6.4894   -0.7597    0.0000 C   0  0
   -7.7846   -1.5163    0.0000 C   0  0
   -7.7770   -3.0163    0.0000 C   0  0
   -6.4742   -3.7597    0.0000 C   0  0
   -6.4636   -5.2605    0.0000 N   0  0
   -5.1590   -6.0025    0.0000 C   0  0
   -3.8651   -5.2437    0.0000 O   0  0
   -5.1483   -7.5033    0.0000 C   0  0
   -4.3923   -8.7072    0.0000 C   0  0
   -5.8923   -8.7147    0.0000 C   0  0
   -5.1790   -3.0032    0.0000 C   0  0
   -5.1866   -1.5032    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 12  2  0
 10 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 28  1  0
 24 31  1  0
 31 32  2  0
 32 21  1  0
 19 33  2  0
 33  8  1  0
M  END
> <name>
Broad_2021

> <id>
33702

> <plate>
Plate_1

> <well>
J13

> <supplier_cmpd_name>
Tozasertib

> <ctcr_id>
5907

> <supplier_cmpd_id>
Tozasertib

> <smiles>
CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(Sc4ccc(NC(=O)C5CC5)cc4)n2

> <pd_targets>
{MAPKAPK2,NTRK1,MAP4K4,MAP4K1,STK4,AAK1,LYN,SRC,KDR,KIT,PDGFRA,CAMK1,NUAK1,MAP4K3,CHEK1,BRSK1,TYRO3,ROS1,RPS6KA2,CDKL5,TBK1,RIOK2,TAOK1,DDR1,MERTK,MET,TIE1,ABL1,FGFR1,LCK,PRKAA1,CSK,PRPF4B,CDKL2,MAP2K
5,AURKC,FLT3,AURKAIP1,INSR,PRKAA2,CDK16,JAK2,RET,MYLK,IKBKE,STK11,MARK3,AURKA,AURKB,PLK4,ALK,AURKB-A,PAK4,PAK2,MST1R,EIF2AK4,INSRR,NTRK3,EPHA2,EPHA1,TYK2,LIMK1,TESK1,PHKG1,PIP5K1A,MAP3K10,MYLK2,JAK3,N
EK5,PKN1,WEE2,SBK3,MELK,SYK,TNK1,SIK1,BCR,YES1,MAP2K2,CSNK2A1,MAP3K9,RIOK1,MAP3K11,CAMK1D,PAK3,PAK1,LIMK2,EPHA3,STK10,STK26,IGF1R,EPHB1,EPHB4,MYLK4,BTK,TEC,TGFBR1,PKNB,MAPK10,TNIK,PTK2B,DCLK3,MYLK3,CS
NK2A2,FGFR3,MAP3K4,STK24,MAP2K1,SIK2,MAP3K13,FER,PKN2,ABL2,STK3,GAK,ACVR1,BLK,FYN,FLT1,RIOK3,DDR2,ACVRL1,LATS1,LATS2,PRKCQ,PRKD2,FGFR4,FGR,MAP3K12,RIPK1,MINK1,MAP3K3,EPHB6,SRPK3,RIPK4,CDK11A,CSF1R,FRK
,MAP3K19,EPHA4,FGFR2,ITK,CDKL3,ERBB3,SLK,TEK,TAOK3,BMPR2,RPS6KB1,PDGFRB,NTRK2,FES,MAPK14,SRPK1,PAK5,MAP2K6,BMX,MAP4K5,RPS6KA3,MARK2,MARK1,DAPK3,TXK,IRAK3,RPS6KA1,JAK1,PHKG2,STK16,CDK11B,STK25,MARK4,WE
E1,TLK1,MUSK,AXL,CDK19,MAP3K7,LRRK2,NUAK2,BMP2K,PIP4K2B,TAOK2,BMPR1B,ANKK1,ERN1,CDK17,CAMKK1,ULK3,SRPK2,HUNK,EPHA6,EGFR,FLT4,EPHA8,GRK4,LTK,TNK2,NEK7,MAP3K20,MKNK2,MAP3K2,TTK,PAK6,HCK,MAPK7,DLK1,CYP19
A1,MAP4K2,IRAK4,EPHB2,STK17A,P2RY14,PRKCZ,STK38L,PDPK1,CAMK1G}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor",Kinase,Transferase,"Cytochrome P450","Family A G protein-coupled receptor","Protein Kinase","Cytochrome P450 family 19","Small molecule receptor (fam
ily A GPCR)","CAMK protein kinase group","TK protein kinase group","STE protein kinase group","Other protein kinase group","AGC protein kinase group","CMGC protein kinase group","Atypical protein kina
se group","TKL protein kinase group","Cytochrome P450 family 19A","Nucleotide-like receptor (family A GPCR)","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase Trk family","STE protein kina
se STE20 family","Other protein kinase NAK family","Tyrosine protein kinase Src family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","CAMK protein kinase CAMK1 family"
,"Tyrosine protein kinase Axl family","Tyrosine protein kinase Sev family","AGC protein kinase RSK family","CMGC protein kinase CDKL family","Other protein kinase IKK family","Atypical protein kinase 
RIO family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Met family","Tyrosine protein kinase Tie family","Tyrosine protein kinase Abl family","Tyrosine protein kinase FGFR family","T
yrosine protein kinase Csk family","STE protein kinase STE7 family","Other protein kinase AUR family","Tyrosine protein kinase InsR family","CMGC protein kinase CDK family","Tyrosine protein kinase Ja
kA family","Tyrosine protein kinase Ret family","CAMK protein kinase MLCK family","Other protein kinase PLK family","TKL protein kinase STKR family","Other protein kinase PEK family","Tyrosine protein
 kinase Eph family","TKL protein kinase LISK family","CAMK protein kinase PHk family","TKL protein kinase MLK family","Other protein kinase NEK family","AGC protein kinase PKN family","Other protein k
inase WEE family","Other protein kinase NKF1 family","Tyrosine protein kinase Syk family","Tyrosine protein kinase Ack family","Atypical protein kinase BCR family","Other protein kinase CK2 family","T
yrosine protein kinase Tec family","CMGC protein kinase MAPK family","Tyrosine protein kinase Fak family","CAMK protein kinase DCAMK1 family","STE protein kinase STE11 family","Tyrosine protein kinase
 Fer family","AGC protein kinase NDR family","AGC protein kinase PKC family","CAMK protein kinase PKD family","TKL protein kinase RIPK family","CMGC protein kinase SRPK family","Tyrosine protein kinas
e EGFR family","CAMK protein kinase DAPK family","TKL protein kinase IRAK family","Other protein kinase TLK family","Tyrosine protein kinase Musk family","TKL protein kinase LRRK family","Other protei
n kinase CAMKK family","Other protein kinase ULK family","AGC protein kinase GRK family","Tyrosine protein kinase Alk family","Other protein kinase TTK family","Cytochrome P450 19A1","Purine receptor"
,"AGC protein kinase PDK1 subfamily","CAMK protein kinase MAPKAPK subfamily","STE protein kinase MSN subfamily","STE protein kinase KHS subfamily","STE protein kinase MST subfamily","CAMK protein kina
se NuaK subfamily","CAMK protein kinase CHK1 subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinase RSK subfamily","Atypical protein kinase RIO2 subfamily","STE protein kinase TAO subfami
ly","CAMK protein kinase AMPK subfamily","CMGC protein kinase TAIRE subfamily","CAMK protein kinase LKB subfamily","CAMK protein kinase MARK subfamily","TKL protein kinase STKR Type 1 subfamily","STE 
protein kinase PAKB subfamily","STE protein kinase PAKA subfamily","Other protein kinase GCN2 subfamily","TKL protein kinase LIMK subfamily","TKL protein kinase TESK subfamily","TKL protein kinase MLK
 subfamily","Other protein kinase WEE1","CAMK protein kinase MELK subfamily","CAMK protein kinase QIK subfamily","Atypical protein kinase RIO1 subfamily","STE protein kinase SLK subfamily","STE protei
n kinase YSK subfamily","CMGC protein kinase JNK subfamily","TKL protein kinase LZK subfamily","TKL protein kinase STKR1","Tyrosine protein kinase SrcA","Atypical protein kinase RIO3 subfamily","AGC p
rotein kinase PKC delta subfamily","STE protein kinase MEKK2","CMGC protein kinase PITSLRE subfamily","TKL protein kinase STKR Type 2 subfamily","AGC protein kinase p70 subfamily","CMGC protein kinase
 p38 subfamily","CMGC protein kinase CDK8 subfamily","TKL protein kinase TAK1 subfamily","CMGC protein kinase PCTAIRE","Other protein kinase Meta subfamily","AGC protein kinase GRK subfamily","CAMK pr
otein kinase MNK subfamily","CMGC protein kinase ERK5","AGC protein kinase PKC iota subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Cytochrome P450","G protein-coupled receptors","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor kinases","STE: Homologs o
f yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Atypical,"Lipid modifying kinases",CYP11,CYP17,CYP19,"CYP2
0 and CYP21 families","P2Y receptors","MAPK-Activated Protein Kinase (MAPKAPK) family","TK: Tyrosine kinase","STE20 family","Other protein kinases","CAMK1 family","CAMK-like (CAMKL) family","RSK famil
y","Cyclin-dependent kinase-like (CDKL) family","RIO family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","STE7 family","Cyclin-dependent kinase (CDK) family","Myosin
 Light Chain Kinase (MLCK) family","TKL: Tyrosine kinase-like","Phosphorylase kinase (PHK) family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","Protein kinase N (PKN) fam
ily","Mitogen-activated protein kinases (MAP kinases)","DCAMKL family","STE11 family","NDR family","Protein kinase C (PKC) family","Protein kinase D (PKD) family","SRPK family","Death-associated kinas
e (DAPK) family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","G protein-coupled receptor kinases (GRKs)","PDK1 family","MAPKAPK subfamily","Receptor tyrosine kinases (RT
Ks)","MSN subfamily","KHS subfamily","MST subfamily","NAK family","Non-receptor tyrosine kinases (nRTKs)","NuaK subfamily","CHK1 subfamily","BRSK subfamily","RSK subfamily","IKK family","RIO2 subfamil
y","TAO subfamily","AMPK subfamily","PRP4 subfamily","Aurora kinase (Aur) family","TAIRE subfamily","LKB subfamily","MARK subfamily","Polo-like kinase (PLK) family","PAKB subfamily","PAKA subfamily","
PEK family","LIM domain kinase (LISK) family","Mixed Lineage Kinase (MLK) family","NIMA (never in mitosis gene a)- related kinase (NEK) family","WEE family","NKF1 family","MELK subfamily","QIK subfami
ly","Casein kinase 2 (CK2) family","RIO1 subfamily","SLK subfamily","YSK subfamily","Receptor serine/threonine kinase (RSTK) family","JNK subfamily","Numb-associated kinase (NAK) family","RIO3 subfami
ly","Delta subfamily","Receptor interacting protein kinase (RIPK) family","PITSLRE subfamily","STE20 subfamily","p70 subfamily","p38 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family"
,"Tousled-like kinase (TLK) family","CDK8 subfamily","Leucine-rich repeat kinase (LRRK) family","IRE family","CAMKK family","Unc-51-like kinase (ULK) family","HUNK subfamily","GRK4 subfamily","MKN sub
family","TTK family","ERK subfamily","Iota subfamily","Type VII RTKs: Neurotrophin receptor/Trk family","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III
 RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XVII RTKs: ROS receptors","Type XVI RTKs: DDR (collagen receptor) family","Type X RTK
s: HGF (hepatocyte growth factor) receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Abl family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Csk family","Type I
I RTKs: Insulin receptor family","Janus kinase (JakA) family","Type XIV RTKs: RET","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","GCN2 subfamily","Type XIII RTKs: Ephrin receptor fa
mily","LIMK subfamily","TESK subfamily","MLK subfamily","Syk family","Ack family","Tec family","Type I receptor serine/threonine kinases","Fak family","LZK subfamily","Fer family","Type I RTKs: ErbB (
epidermal growth factor) receptor family","Type II receptor serine/threonine kinases","Type IX RTKs: MuSK","TAK1 subfamily","Meta subfamily"}

> <pathway_reactome>
{"Immune System","Signal Transduction","Cellular responses to external stimuli","Vesicle-mediated transport",Disease,"Neuronal System","Gene expression (Transcription)","DNA Repair","Metabolism of RNA
","Cell Cycle","Extracellular matrix organization",Hemostasis,"Developmental Biology","Metabolism of proteins","Cell-Cell communication",Metabolism,"Circadian Clock","Programmed Cell Death","Organelle
 biogenesis and maintenance","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Cellular responses to stress","Signaling by Hippo","Membrane Trafficking","Infectious disease","Diseases o
f signal transduction by growth factor receptors and second messengers","Transmission across Chemical Synapses","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","rRNA processing",Mit
otic,"Non-integrin membrane-ECM interactions","Cell surface interactions at the vascular wall","Nervous system development",Translation,"Intracellular signaling by second messengers","Signaling by Rho
 GTPases","Cytokine Signaling in Immune system","Cell junction organization","Metabolism of carbohydrates","Metabolism of lipids",Apoptosis,"Signaling by TGFB family members","Signaling by GPCR","Adap
tive Immune System","MAPK family signaling cascades","MTOR signalling","Cilium Assembly","Cell Cycle Checkpoints","ECM proteoglycans","Signaling by Non-Receptor Tyrosine Kinases","Unfolded Protein Res
ponse (UPR)","Signaling by Hedgehog","Signaling by NOTCH","Biological oxidations","Signaling by Nuclear Receptors","Toll-like Receptor Cascades","Signaling by NTRKs","Cellular Senescence","Clathrin-me
diated endocytosis","Leishmania infection","Signaling by VEGF","Signaling by KIT in disease","Signaling by PDGFR in disease","Neurotransmitter receptors and postsynaptic signal transmission","Generic 
Transcription Pathway","Homology Directed Repair","rRNA processing in the nucleus and cytosol","M Phase","Axon guidance","Signaling by FGFR in disease","HIV Infection","Oncogenic MAPK signaling","Sign
aling by Insulin receptor","Mitochondrial translation","PIP3 activates AKT signaling","Mitotic G1 phase and G1/S transition","RHO GTPase Effectors","Mitotic G2-G2/M phases","Signaling by MST1","Respon
se of EIF2AK4 (GCN2) to amino acid deficiency","Interferon Signaling","Cell-extracellular matrix interactions","Glycogen metabolism","Phospholipid metabolism","Signaling by Interleukins","Neutrophil d
egranulation","Apoptotic execution phase","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Signaling by TGF-beta Receptor Complex in Cancer","Signaling by SCF-KIT","trans-Golgi Net
work Vesicle Budding","Signaling by BMP","GPCR downstream signalling","Sphingolipid metabolism","Signaling by FGFR","TCR signaling","MAPK1/MAPK3 signaling","mTORC1-mediated signalling","Caspase activa
tion via extrinsic apoptotic signalling pathway","Fc epsilon receptor (FCERI) signaling","Anchoring of the basal body to the plasma membrane","G2/M Checkpoints","Regulation of lipid metabolism by PPAR
alpha","Signaling by PTK6","IRE1alpha activates chaperones","Hedgehog 'on' state","Signaling by NOTCH1","Phase I - Functionalization of compounds","GPCR ligand binding","ESR-mediated signaling","Toll 
Like Receptor 5 (TLR5) Cascade","Signaling by NTRK1 (TRKA)","Oxidative Stress Induced Senescence","Cargo recognition for clathrin-mediated endocytosis","Leishmania parasite growth and survival","VEGFA
-VEGFR2 Pathway","Drug resistance of KIT mutants","Drug resistance of PDGFR mutants","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation by TP53","HDR through Homologous
 Recombination (HRR) or Single Strand Annealing (SSA)","Toll Like Receptor 4 (TLR4) Cascade","Major pathway of rRNA processing in the nucleolus and cytosol","Mitotic Metaphase and Anaphase","Semaphori
n interactions","Parasite infection","Signaling by FGFR1 in disease","Host Interactions of HIV factors","Signaling by RAS mutants","Insulin receptor signalling cascade","Mitochondrial translation elon
gation","Negative regulation of the PI3K/AKT network","G1 Phase","RET signaling","RHO GTPases activate PAKs","G2/M Transition","Signaling by ROBO receptors","Signaling by NTRK3 (TRKC)","EPH-Ephrin sig
naling","Interferon alpha/beta signaling","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","Glycogen breakdown (glycogenolysis)","PI Metabolism","Interleukin-2 fami
ly signaling","RHO GTPases activate PKNs","Apoptotic cleavage of cellular proteins","IGF1R signaling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Loss of Function of SMAD2/3 in Cancer"
,"Signaling by FGFR3 in disease","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX1","VEGF ligand-receptor interactions","G alpha (i) signalling events","Sphingolipid de novo b
iosynthesis","Signaling by FGFR4","Interleukin-1 family signaling","Transcriptional Regulation by VENTX","PTEN Regulation","Signaling by FGFR2 in disease","Generation of second messenger molecules","R
AF/MAP kinase cascade","Caspase activation via Dependence Receptors in the absence of ligand","FCERI mediated Ca+2 mobilization","Toll Like Receptor 2 (TLR2) Cascade","Antiviral mechanism by IFN-stimu
lated genes","G2/M DNA damage checkpoint","PPARA activates gene expression","PTK6 promotes HIF1A stabilization","G alpha (q) signalling events","Mitotic Prophase","Activated NOTCH1 Transmits Signal to
 the Nucleus","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Extra-nuclear estrogen signaling","MyD88 cascade initiated on plasma membrane","Signalling to ERKs"
,"Anti-inflammatory response favouring Leishmania parasite infection","VEGFR2 mediated cell proliferation","Dasatinib-resistant KIT mutants","Imatinib-resistant PDGFR mutants","Post NMDA receptor acti
vation events","Regulation of TP53 Activity","HDR through Homologous Recombination (HRR)","MyD88-independent TLR4 cascade","Mitotic Anaphase","Sema4D in semaphorin signaling","Leishmania phagocytosis"
,"FGFR1 mutant receptor activation","The role of Nef in HIV-1 replication and disease pathogenesis","Signaling downstream of RAS mutants","Signalling to ERK5","IRS-mediated signalling",PI5P,"PP2A and 
IER3 Regulate PI3K/AKT Signaling","Cyclin D associated events in G1","Centrosome maturation","Activation of RAC1","Activated NTRK3 signals through PI3K","EPHA-mediated growth cone collapse","Regulatio
n of IFNA signaling","Synthesis of PIPs at the plasma membrane","Interleukin-15 signaling","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Ephrin sig
naling","EPHB-mediated forward signaling","IRS-related events triggered by IGF1R","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Interleukin-2 signaling","Signaling by FGFR3 point mutants in cance
r","Role of ABL in ROBO-SLIT signaling","RUNX1 regulates transcription of genes involved in BCR signaling","VEGF binds to VEGFR leading to receptor dimerization","Visual phototransduction","Downstream
 signaling of activated FGFR4","Interleukin-1 signaling","Regulation of PTEN stability and activity","FGFR2 mutant receptor activation","Activation of TRKA receptors","CRMPs in Sema3A signaling","Toll
 Like Receptor TLR6:TLR2 Cascade","ISG15 antiviral mechanism","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","Gastrin-CREB signalling pathway via PKC and MAPK","Nuclear Envelope Brea
kdown","Endogenous sterols","Nucleotide-like (purinergic) receptors","Estrogen-stimulated signaling through PRKCZ","MAP kinase activation","Prolonged ERK activation events","FCGR3A-mediated IL10 synth
esis","Signalling to RAS","Activation of RAC1 downstream of NMDARs","Regulation of TP53 Activity through Phosphorylation","Homologous DNA Pairing and Strand Exchange","TRIF(TICAM1)-mediated TLR4 signa
ling","Separation of Sister Chromatids","Sema4D mediated inhibition of cell attachment and migration","FCGR3A-mediated phagocytosis","Signaling by activated point mutants of FGFR1","Nef-mediates down 
modulation of cell surface receptors by recruiting them to clathrin adapters","PI3K Cascade","Loss of proteins required for interphase microtubule organization from the centrosome","Nef and signal tra
nsduction","Sema4D induced cell migration and growth-cone collapse","FGFR3 mutant receptor activation","The phototransduction cascade","FRS-mediated FGFR4 signaling","Recruitment of mitotic centrosome
 proteins and complexes","Activated point mutants of FGFR2","NGF-independant TRKA activation","Regulation of TP53 Activity through Acetylation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane",
"EGFR Transactivation by Gastrin","Activation of NIMA Kinases NEK9",NEK6,NEK7,"P2Y receptors","Regulation of TP53 Expression and Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","AR
MS-mediated activation","p38MAPK events","Presynaptic phase of homologous DNA pairing and strand exchange","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Nef Mediated CD4 Down-regulation","Lo
ss of Nlp from mitotic centrosomes","Frs2-mediated activation","Signaling by activated point mutants of FGFR3",Inactivation,"recovery and regulation of the phototransduction cascade","IKK complex recr
uitment mediated by RIP1","PI5P Regulates TP53 Acetylation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Regulation of TP53 Degradation","CREB phosphorylation","Activation of the AP
-1 family of transcription factors","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{X68,Tozasertib,639089-54-6,639089546,VX-680,VX680,MK-0457,MK0457,"MK 0457","VX 680","VX-680 (MK-0457,Tozasertib)","VX680 (MK0457,Tozasertib)",UNII-234335M86K,UNII234335M86K,VX-68,VX68,"Tozasertib (VX
-680)","Tozasertib (VX680)",MK-045,MK045,L-001281814,L001281814,CHEMBL572878,936915-58-1,936915581,VX6,234335M86K,"Tozasertib (USAN)","Tozasertib (USAN:INN)","VE 465",T2509,S1048,TOZASERTIB}

> <pdid>
PD003407

> <targets>
{Aurora,ABL,"AURORA KINASES",FLT3,"Aurora Kinase",Autophagy}

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

> <pubchem_cids>
{5494449}

$$$$
Broad_2021
  SciTegic11012413022D

 44 49  0  0  1  0            999 V2000
    8.5003   -0.0157    0.0000 C   0  0
    9.3992   -1.2166    0.0000 C   0  0  2  0  0  0
   10.8811   -1.0872    0.0000 C   0  0
   11.7613   -2.3018    0.0000 O   0  0
    7.9315   -1.5261    0.0000 C   0  0
    7.7912   -3.0067    0.0000 N   0  0
    9.1416   -3.6299    0.0000 C   0  0
   10.1471   -2.5168    0.0000 C   0  0  2  0  0  0
   10.7332   -3.8976    0.0000 C   0  0
   11.0040   -1.3010    0.0000 C   0  0
   10.3967    0.0706    0.0000 O   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    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
   -5.0114   -1.7530    0.0000 C   0  0
   -4.4013   -3.1233    0.0000 N   0  0
   -2.9095   -2.9665    0.0000 N   0  0
   -1.9052   -4.0817    0.0000 C   0  0
   -2.2596   -5.5341    0.0000 C   0  0
   -1.1747   -6.5700    0.0000 C   0  0
    0.2648   -6.1484    0.0000 C   0  0
    1.3497   -7.1843    0.0000 F   0  0
    0.6195   -4.6910    0.0000 C   0  0
   -0.4653   -3.6551    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -6.4775   -1.4443    0.0000 C   0  0
   -7.4798   -2.5602    0.0000 O   0  0
   -6.9433   -0.0184    0.0000 N   0  0
    3.8934   -5.2570    0.0000 C   0  0
    2.5944   -6.0070    0.0000 Cl  0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 N   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  2  1  0
  8  9  1  1
  8 10  1  0
 10 11  1  0
  6 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 31 33  1  0
 33 34  2  0
 34 28  1  0
 27 35  1  0
 35 24  2  0
 35 36  1  0
 36 21  1  0
 36 37  2  0
 37 18  1  0
 25 38  1  0
 38 39  2  0
 38 40  1  0
 14 41  2  0
 41 42  1  0
 41 43  1  0
 43 44  2  0
 44 12  1  0
M  END
> <name>
Broad_2021

> <id>
33703

> <plate>
Plate_1

> <well>
K13

> <supplier_cmpd_name>
PF 184

> <ctcr_id>
8360

> <supplier_cmpd_id>
PF 184

> <smiles>
C[C@]1(CO)CN(C[C@@]1(C)CO)c2cc(C(=O)Nc3ccc4CCc5c(nn(c6ccc(F)cc6)c5c4c3)C(=O)N)c(Cl)cn2

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1187460-81-6,1187460816,SCHEMBL19784968,DTXSID00727008,ZINC43205342,AKOS024458048,NCGC00263213-01,NCGC0026321301,NCGC00263213-02,NCGC0026321302,4238,"PF 184"}

> <pdid>
PD003536

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{57519531}

$$$$
Broad_2021
  SciTegic11012413022D

 35 38  0  0  0  0            999 V2000
    3.9068   -0.7607    0.0000 C   0  0
    2.6046   -1.5052    0.0000 O   0  0
    2.5973   -3.0060    0.0000 C   0  0
    3.8942   -3.7597    0.0000 C   0  0
    3.8899   -5.2597    0.0000 C   0  0
    2.5887   -6.0060    0.0000 C   0  0
    1.2918   -5.2523    0.0000 C   0  0
    1.2961   -3.7523    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 N   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -5.2089   -5.9859    0.0000 Cl  0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -5.1977   -2.9829    0.0000 O   0  0
   -5.1903   -1.4821    0.0000 C   0  0
   -6.4841   -0.7230    0.0000 C   0  0
   -6.4738    0.7769    0.0000 C   0  0
   -5.1696    1.5179    0.0000 C   0  0
   -3.8758    0.7590    0.0000 C   0  0
   -2.5693    1.4977    0.0000 N   0  0
   -1.2759    0.7365    0.0000 C   0  0
   -1.2888   -0.7634    0.0000 O   0  0
    0.0306    1.4752    0.0000 C   0  0
    1.3233    0.7144    0.0000 C   0  0
   -3.8861   -0.7410    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 N   0  0
    5.1874   -6.0137    0.0000 N   0  0
    6.4899   -5.2696    0.0000 C   0  0
    7.7856   -6.0253    0.0000 C   0  0
    7.7789   -7.5253    0.0000 N   0  0
    9.0746   -8.2811    0.0000 C   0  0
    6.4766   -8.2695    0.0000 C   0  0
    5.1809   -7.5138    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 21 27  2  0
 27 17  1  0
 15 28  2  0
 28 10  1  0
  5 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 35 29  1  0
M  END
> <name>
Broad_2021

> <id>
33704

> <plate>
Plate_1

> <well>
L13

> <supplier_cmpd_name>
WZ4002

> <ctcr_id>
1735

> <supplier_cmpd_id>
WZ4002

> <smiles>
COc1cc(ccc1Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)N4CCN(C)CC4

> <pd_targets>
{EGFR,ALK,JAK3,ERBB2,ERBB3,ERBB4,ITK,CTSC,BTK,BLK,NUAK1,ABL1,EML4}

> <pathway_gtopdb>
{Enzyme,Kinase,Protease,"Protein Kinase","Cysteine protease","TK protein kinase group","TKL protein kinase group","Cysteine protease CA clan","CAMK protein kinase group","Tyrosine protein kinase EGFR 
family","TKL protein kinase STKR family","Tyrosine protein kinase JakA family","Tyrosine protein kinase Tec family","Cysteine protease C1A family","Tyrosine protein kinase Src family","CAMK protein ki
nase CAMK1 family","Tyrosine protein kinase Abl family","TKL protein kinase STKR Type 1 subfamily","CAMK protein kinase NuaK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Peptidases and proteinases","Kinases (EC 2.7.x.x)","Receptor kinases","CA: Cysteine (C) Peptidases","CAMK: Calcium/calmodulin-dependent protein kinases","TK: 
Tyrosine kinase","C1: Papain","CAMK-like (CAMKL) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","NuaK subfamily","Type I RTKs: ErbB (epidermal growth factor) recept
or family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Janus kinase (JakA) family","Tec family","Src family","Abl family"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Metabolism of proteins",Disease,"Gene expression (Transcription)","Neuronal System","Signaling by GPCR","Cytokine Signaling in Immune system","Adaptive Immune S
ystem","Post-translational protein modification","Infectious disease","RNA Polymerase II Transcription","Transmission across Chemical Synapses","GPCR downstream signalling","Signaling by Interleukins"
,"TCR signaling","Asparagine N-linked glycosylation","Leishmania infection","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","G alpha (q) signalling ev
ents","Interleukin-2 family signaling","Generation of second messenger molecules","Transport to the Golgi and subsequent modification","Parasite infection","Transcriptional regulation by RUNX1","Trans
criptional Regulation by TP53","Activation of NMDA receptors and postsynaptic events","Gastrin-CREB signalling pathway via PKC and MAPK","Interleukin-15 signaling","ER to Golgi Anterograde Transport",
"Leishmania phagocytosis","RUNX1 regulates transcription of genes involved in BCR signaling","Regulation of TP53 Activity","Post NMDA receptor activation events","EGFR Transactivation by Gastrin","Car
go concentration in the ER","FCGR3A-mediated phagocytosis","Regulation of TP53 Activity through Phosphorylation","Long-term potentiation"}

> <broad_targets>
{EGFR,ERBB2}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{WZ4002,1213269-23-8,1213269238,WZ-4002,"WZ 4002",UNII-6BQ432Z61M,UNII6BQ432Z61M,CHEBI:61400,CHEMBL1229592,6BQ432Z61M,SMR001913510,SCHEMBL93699,cc-192,cc192,MLS003230945,MLS006011213,AMY370,GTPL9176,Q
CR-55,QCR55,DTXSID30153230,EX-A416,EXA416,HMS3265O15,HMS3265O16,HMS3265P15,HMS3265P16,HMS3654C,T6238,S1173}

> <pdid>
PD003346

> <targets>
{NULL,EGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{44607530}

$$$$
Broad_2021
  SciTegic11012413022D

 32 35  0  0  0  0            999 V2000
    4.8089   -4.6669    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -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
    0.0072   -7.5009    0.0000 Cl  0  0
   -2.5981   -3.0050    0.0000 Cl  0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 N   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
  -12.9973    4.4890    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  2  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 14 20  1  0
 10 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 28 31  1  0
 31 32  3  0
M  END
> <name>
Broad_2021

> <id>
33705

> <plate>
Plate_1

> <well>
M13

> <supplier_cmpd_name>
CHIR 99021

> <ctcr_id>
11463

> <supplier_cmpd_id>
CHIR 99021

> <smiles>
Cc1cnc([nH]1)c1cnc(nc1c1c(cc(cc1)Cl)Cl)NCCNc1ncc(cc1)C#N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HIR9902,CHIR-99021,CHIR99021,252917-06-9,252917069,"CHIR 99021",CT99021,"CT 99021",CT-99021,"GSK-3 Inhibitor XVI","GSK3 Inhibitor XVI",UNII-234CMT4GK4,UNII234CMT4GK4,CHIR-911,CHIR911,"CHIR-99021 (CT9
9021)","CHIR99021 (CT99021)",C22H18Cl2N8,234CMT4GK4,CHEMBL412142,"252917-06-9 (free base)","252917069 (free base)",laduviglusib,"CHIR 911",65C,Kinome_378,Kinome378,Kinome-378,"Kinome 378",T2310}

> <pdid>

> <targets>
{GSK-3¦Á,GSK-3¦Â}

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

> <pubchem_cids>
{9956119}

$$$$
Broad_2021
  SciTegic11012413022D

 46 53  0  0  1  0            999 V2000
    2.6018   -5.9994    0.0000 C   0  0
    3.9008   -5.2492    0.0000 O   0  0
    3.9014   -3.7484    0.0000 C   0  0
    2.6012   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8967   -0.7484    0.0000 C   0  0
    5.1969   -1.4963    0.0000 C   0  0
    6.4939   -0.7411    0.0000 O   0  0
    6.4894    0.7589    0.0000 C   0  0
    5.1993   -2.9963    0.0000 C   0  0
    6.4995   -3.7442    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 C   0  0
    0.3114    2.9665    0.0000 C   0  0
    1.8032    3.1233    0.0000 O   0  0
    2.4133    1.7530    0.0000 C   0  0
    3.8805    1.4410    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0  2  0  0  0
   -3.8939   -0.7546    0.0000 O   0  0
   -5.1903   -1.5091    0.0000 C   0  0  2  0  0  0
   -5.1852   -3.0091    0.0000 C   0  0
   -6.4816   -3.7636    0.0000 O   0  0
   -7.7832   -3.0181    0.0000 C   0  0  2  0  0  0
   -7.7884   -1.5181    0.0000 O   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0  2  0  0  0
   -7.7988    1.4819    0.0000 O   0  0
   -5.2007    1.4909    0.0000 C   0  0  1  0  0  0
   -5.2060    2.9909    0.0000 O   0  0
   -9.0803   -3.7729    0.0000 C   0  0
  -10.4348   -3.1587    0.0000 S   0  0
  -11.4329   -4.2785    0.0000 C   0  0
  -10.6764   -5.5737    0.0000 C   0  0
   -9.2107   -5.2545    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
   -3.7124   -4.0030    0.0000 O   0  0
   -3.1022   -5.3733    0.0000 C   0  0
   -1.6105   -5.2165    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10  3  1  0
 10 11  1  0
 12  5  1  6
 12 13  1  0
 13 14  1  6
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 13  1  0
 17 18  2  0
 14 19  1  0
 19 20  1  0
 21 20  1  6
 21 22  1  0
 23 22  1  6
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 23  1  0
 28 29  1  0
 29 30  1  6
 29 31  1  0
 31 21  1  0
 31 32  1  1
 26 33  1  1
 33 34  1  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 33  2  0
 19 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 40  2  0
 44 45  1  0
 45 46  2  0
 46 12  1  0
 46 38  1  0
M  END
> <name>
Broad_2021

> <id>
33706

> <plate>
Plate_1

> <well>
N13

> <supplier_cmpd_name>
Teniposide

> <ctcr_id>
6350

> <supplier_cmpd_id>
Teniposide

> <smiles>
COc1cc(cc(OC)c1O)[C@H]2[C@@H]3C(COC3=O)C(O[C@@H]4O[C@@H]5CO[C@H](OC5[C@H](O)[C@H]4O)c6sccc6)c7cc8OCOc8cc27

> <pd_targets>
{TOP2A,TOP2B,ABCC4,ABCC3,RORC,NCOA3,GAA,ATM}

> <pathway_gtopdb>
{Enzyme,Transporter,"Transcription factor","Epigenetic regulator",Isomerase,"Primary active transporter","Nuclear receptor",Writer,Hydrolase,Kinase,"ATP-binding cassette","Nuclear hormone receptor sub
family 1","Histone acetyltransferase","Protein Kinase","ABCC subfamily","Nuclear hormone receptor subfamily 1 group F","SRC family","Atypical protein kinase group","Nuclear hormone receptor subfamily 
1 group F member 3","Atypical protein kinase PIKK family"}

> <pathway_chembl>
{Transporters,Enzymes,Receptors,"ATP-binding cassette transporter family","DNA topoisomerases","Nuclear hormone receptors","Chromatin modifying enzymes","3.2.1.- Glycosidases","Kinases (EC 2.7.x.x)","
ABCC subfamily","1F. Retinoic acid-related orphans","2.3.1.48 Histone acetyltransferases (HATs)",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK family kinases"}

> <pathway_reactome>
{Hemostasis,Metabolism,"Cell Cycle","Gene expression (Transcription)",Disease,"Platelet activation","signaling and aggregation","Metabolism of lipids",Mitotic,"RNA Polymerase II Transcription","Diseas
es of metabolism","Cell Cycle Checkpoints","Response to elevated platelet cytosolic Ca2+","Metabolism of steroids","Mitotic G1 phase and G1/S transition","Generic Transcription Pathway","Regulation of
 lipid metabolism by PPARalpha","Diseases of carbohydrate metabolism","G1/S DNA Damage Checkpoints","Platelet degranulation","Bile acid and bile salt metabolism","G0 and Early G1","Transcriptional reg
ulation by RUNX3","PPARA activates gene expression","Glycogen storage diseases","p53-Dependent G1/S DNA damage checkpoint","Recycling of bile acids and salts","Transcription of E2F targets under negat
ive control by DREAM complex","RUNX3 Regulates Immune Response and Cell Migration","Glycogen storage disease type II (GAA)","p53-Dependent G1 DNA Damage Response","Stabilization of p53","Autodegradati
on of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{TOP2A,TOP2B}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{teniposide,"Teniposide (USAN)",Spectrum_001549,Spectrum001549,Spectrum-001549,"Spectrum 001549",SpecPlus_000792,SpecPlus000792,SpecPlus-000792,"SpecPlus 000792",Spectrum2_001647,Spectrum2001647,Spect
rum2-001647,"Spectrum2 001647",Spectrum3_001898,Spectrum3001898,Spectrum3-001898,"Spectrum3 001898",Spectrum4_000585,Spectrum4000585,Spectrum4-000585,"Spectrum4 000585",Spectrum5_001111,Spectrum500111
1,Spectrum5-001111,"Spectrum5 001111",BSPBio_003436,BSPBio003436,BSPBio-003436,"BSPBio 003436",KBioGR_001050,KBioGR001050,KBioGR-001050,"KBioGR 001050",KBioSS_002029,KBioSS002029,KBioSS-002029,"KBioSS
 002029",DivK1c_006888,DivK1c006888,DivK1c-006888,"DivK1c 006888",SPECTRUM1504094,SPBio_001773,SPBio001773,SPBio-001773,"SPBio 001773",CHEMBL3039470,CHEBI:91649,KB,1504094,TENIPOSIDE}

> <pdid>
PD001289

> <targets>
{}

> <classes>
{antineoplastic}

> <pubchem_cids>
{6708778}

$$$$
Broad_2021
  SciTegic11012413022D

 31 35  0  0  1  0            999 V2000
    2.5228   -3.0436    0.0000 C   0  0
    1.2626   -2.2300    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    2.5793    0.0316    0.0000 O   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -3.7124   -4.0030    0.0000 C   0  0
   -3.1022   -5.3733    0.0000 C   0  0
   -3.7125   -6.7424    0.0000 C   0  0
   -2.8308   -7.9559    0.0000 C   0  0
   -3.4409   -9.3262    0.0000 C   0  0
   -4.9332   -9.4862    0.0000 C   0  0
   -5.5417  -10.8581    0.0000 N   0  0
   -7.0331  -11.0180    0.0000 C   0  0
   -4.6579  -12.0701    0.0000 C   0  0
   -2.5592  -10.5397    0.0000 C   0  0
   -3.1693  -11.9101    0.0000 O   0  0
   -1.0674  -10.3829    0.0000 C   0  0
   -0.4573   -9.0126    0.0000 C   0  0
   -1.3390   -7.7991    0.0000 C   0  0
   -0.7289   -6.4288    0.0000 N   0  0
   -1.6105   -5.2165    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10  3  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 18 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  2  0
 27 17  1  0
 27 28  1  0
 28 29  2  0
 29 12  1  0
 29 15  1  0
 13 30  1  0
 30  9  1  0
 30 31  2  0
M  END
> <name>
Broad_2021

> <id>
33707

> <plate>
Plate_1

> <well>
O13

> <supplier_cmpd_name>
Topotecan hydrochloride

> <ctcr_id>
6110

> <supplier_cmpd_id>
Topotecan hydrochloride

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

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

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

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

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

> <broad_targets>
{TOP1,TOP1MT}

> <broad_moa>
{"topoisomerase inhibitor"}

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

> <pdid>
PD003417

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{60700}

$$$$
Broad_2021
  SciTegic11012413022D

 42 45  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    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
    3.8971    5.2500    0.0000 C   0  0
    5.1961    6.0001    0.0000 C   0  0
    5.1961    7.5001    0.0000 C   0  0
    3.8970    8.2500    0.0000 C   0  0
    3.9001    9.7509    0.0000 N   0  0
    5.2009   10.4995    0.0000 C   0  0
    6.4987    9.7472    0.0000 O   0  0
    5.2040   12.0003    0.0000 C   0  0
    6.5048   12.7488    0.0000 N   0  0
    6.5079   14.2497    0.0000 C   0  0
    7.8080   14.9978    0.0000 C   0  0
    6.5102   15.7497    0.0000 C   0  0
    5.2101   15.0019    0.0000 C   0  0
    2.5980    7.5000    0.0000 C   0  0
    1.2990    8.2500    0.0000 O   0  0
    2.5980    6.0000    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 O   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2991    2.2500    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 N   0  0
   -2.5951   -3.0031    0.0000 O   0  0
    6.4974    5.2523    0.0000 N   0  0
    7.7954    6.0042    0.0000 C   0  0
    6.5001    3.7523    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  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  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 12 22  1  0
 22 23  1  0
 22 24  2  0
 24  9  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27  7  1  0
 27 28  2  3
 28 29  1  0
 28 30  1  0
 30  5  1  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  3
 35  4  1  0
 35 36  1  0
 34 37  1  0
 37 38  1  0
 37 39  2  0
 10 40  1  0
 40 41  1  0
 40 42  1  0
M  END
> <name>
Broad_2021

> <id>
33708

> <plate>
Plate_1

> <well>
P13

> <supplier_cmpd_name>
Tigecycline

> <ctcr_id>
6613

> <supplier_cmpd_id>
Tigecycline

> <smiles>
CN(C)C1C2CC3Cc4c(cc(NC(=O)CNC(C)(C)C)c(O)c4C(=O)C3=C(O)C2(O)C(=O)C(=C1O)C(N)=O)N(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{T1C,PubChem21336,Tigecycline,220620-09-7,220620097,Tygacil,WAY-GAR-936,WAYGAR936,GAR-936,GAR936,TBG-MINO,TBGMINO,"GAR 936",CHEBI:149836,"Tigecycline hydrate",UNII-70JE2N95KR,UNII70JE2N95KR,70JE2N95KR
,Tigilcycline,C29H39N5O8,"GAR-936,Tigecycline","GAR936,Tigecycline",Tygacil(TM),"Tygacil (TN)",Tigecyclin,MFCD0093,T1569,S1403}

> <pdid>
PD001132

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{54686904}

$$$$
Broad_2021
  SciTegic11012413022D

 19 20  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 N   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8916    3.7585    0.0000 C   0  0
   -3.8864    5.2585    0.0000 C   0  0
   -2.5847    6.0040    0.0000 C   0  0
   -1.2883    5.2495    0.0000 C   0  0
   -1.2935    3.7495    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  1  0
  9 17  1  0
 17 18  1  0
 17 19  2  0
 19  6  1  0
M  END
> <name>
Broad_2021

> <id>
33709

> <plate>
Plate_1

> <well>
A14

> <supplier_cmpd_name>
Ferrostatin 1

> <ctcr_id>
2758

> <supplier_cmpd_id>
Ferrostatin 1

> <smiles>
CCOC(=O)c1ccc(NC2CCCCC2)c(N)c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"ferroptosis inhibitor"}

> <synonyms>
{Ferrostatin-1,Ferrostatin1,347174-05-4,347174054,"Ethyl 3-amino-4-(cyclohexylamino)benzoate","Ethyl 3amino4(cyclohexylamino)benzoate","Ferrostatin-1 (Fer-1)","Ferrostatin1 (Fer1)",Fer-1,Fer1,"Ferrost
atin 1","Benzoic acid, 3-amino-4-(cyclohexylamino)-, ethyl ester","Benzoic acid, 3amino4(cyclohexylamino), ethyl ester",MFCD08072959,"3-amino-4-(cyclohexylamino)-benzoic acid, ethyl ester","3amino4(cy
clohexylamino)benzoic acid, ethyl ester",SCHEMB,T6500,S7243}

> <pdid>
PD010384

> <targets>
{Ferroptosis}

> <classes>
{Metabolism}

> <pubchem_cids>
{4068248}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33710

> <plate>
Plate_1

> <well>
B14

> <supplier_cmpd_name>
Fedratinib

> <ctcr_id>
2863

> <supplier_cmpd_id>
Fedratinib

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 36 41  0  0  0  0            999 V2000
    6.4971   -0.7566    0.0000 F   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8919   -5.2525    0.0000 F   0  0
    5.1945   -3.0045    0.0000 C   0  0
    6.4946   -3.7543    0.0000 C   0  0
    7.7945   -3.0041    0.0000 N   0  0
    9.0950   -3.7516    0.0000 C   0  0
   10.3927   -2.9992    0.0000 C   0  0
   10.3899   -1.4992    0.0000 O   0  0
    9.0894   -0.7517    0.0000 C   0  0
    7.7918   -1.5041    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -2.5112   -6.1125    0.0000 C   0  0
   -2.0454   -7.5384    0.0000 N   0  0
   -0.5454   -7.5360    0.0000 N   0  0
   -0.0841   -6.1087    0.0000 C   0  0
    0.3387   -8.7487    0.0000 C   0  0
   -0.1635  -10.1569    0.0000 C   0  0
    0.8088  -11.2991    0.0000 C   0  0
    2.2841  -11.0281    0.0000 N   0  0
    2.7871   -9.6150    0.0000 C   0  0
    1.8148   -8.4728    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
  4 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 16  1  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 26  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 31  1  0
M  END
> <name>
Broad_2021

> <id>
33711

> <plate>
Plate_1

> <well>
C14

> <supplier_cmpd_name>
NVP BSK 805

> <ctcr_id>
8280

> <supplier_cmpd_id>
NVP BSK 805

> <smiles>
Fc1cc(cc(F)c1CN2CCOCC2)c3cccc4ncc(nc34)c5cnn(c5)C6CCNCC6

> <pd_targets>
{JAK3,JAK1,JAK2,TYK2,ABL1}

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

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

> <pathway_reactome>
{"Immune System","Cell Cycle",Disease,"Cytokine Signaling in Immune system",Mitotic,"Infectious disease","Signaling by Interleukins","Interferon Signaling","Mitotic G1 phase and G1/S transition","Leis
hmania infection","Interleukin-2 family signaling","Antiviral mechanism by IFN-stimulated genes","G1 Phase","Interferon alpha/beta signaling","Parasite infection","Interleukin-15 signaling","ISG15 ant
iviral mechanism","Cyclin D associated events in G1","Regulation of IFNA signaling","Leishmania phagocytosis","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{VPBSK80,NVP-BSK805,NVPBSK805,1092499-93-8,1092499938,CHEMBL1092926,"BSK 805",DQX,"NVP-BSK 805 HCl","NVPBSK 805 HCl",C27H30Cl2F2N6O,"NVP-BSK 805","NVPBSK 805",SCHEMBL2800994,EX-A286,EXA286,BCP29570,BD
BM50315231,MFCD22419018,ZINC49070412,CS-1629,CS1629,NCGC00263202-01,NCGC0026320201,NCGC00263202-08,NCGC0026320208,AC-28460,AC28460,AK473881,HY-14722,HY14722,X7514,Q,T5049,T6294,HY-14722,"NVP-BSK805 2H
Cl (1092499-93-8(free base))",NVP-BSK805,"NVP BSK 805"}

> <pdid>
PD003577

> <targets>
{JAK}

> <classes>
{}

> <pubchem_cids>
{46398810}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33712

> <plate>
Plate_1

> <well>
D14

> <supplier_cmpd_name>
Navitoclax

> <ctcr_id>
1167

> <supplier_cmpd_id>
Navitoclax

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 34 34  0  0  1  0            999 V2000
   10.3716  -16.5265    0.0000 C   0  0
   10.3737  -15.0265    0.0000 C   0  0
   11.6740  -14.2788    0.0000 C   0  0
    9.0755  -14.2734    0.0000 C   0  0
    9.0776  -12.7726    0.0000 C   0  0  2  0  0  0
    7.7794  -12.0195    0.0000 N   0  0
    7.7815  -10.5187    0.0000 C   0  0
    9.0819   -9.7710    0.0000 O   0  0
    6.4833   -9.7656    0.0000 C   0  0  2  0  0  0
    5.1807  -10.5111    0.0000 C   0  0
    3.8834   -9.7566    0.0000 C   0  0
    2.5815  -10.5016    0.0000 C   0  0
    3.8868   -8.7566    0.0000 C   0  0
    6.4855   -8.2648    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    4.3204   -8.0102    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0  2  0  0  0
    6.4889   -5.2601    0.0000 C   0  0
    6.4894   -3.7592    0.0000 C   0  0
    7.7882   -3.0088    0.0000 C   0  0
    5.6234   -3.2592    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    4.7602   -3.2585    0.0000 O   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   10.3771  -12.0218    0.0000 C   0  0
   10.3776  -10.5218    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  1  0
 11 13  1  0
  9 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  1
 18 19  1  0
 19 20  1  0
 19 21  1  0
 17 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
  5 33  1  0
 33 34  2  0
M  END
> <name>
Broad_2021

> <id>
33713

> <plate>
Plate_1

> <well>
E14

> <supplier_cmpd_name>
MG-132

> <ctcr_id>
7220

> <supplier_cmpd_id>
MG-132

> <smiles>
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C=O

> <pd_targets>
{CAPN9,CAPN2,CTSB,CTSK,PSMB5,ALDH1A1,PSMB1,PSMB2,PSMB9,PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB10,PSMB11,PSMB3,PSMB4,PSMB6,PSMB7,PSMB8,NFKBIA}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Hydrolase,Protease,Oxidoreductase,"Cysteine protease","Threonine protease","Cysteine protease CA clan","Threonine protease PBT clan","Cysteine protease C2 family","Cy
steine protease C1A family","Threonine protease T1A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","CA: Cysteine (C) Peptidases","PB: Threonine (T) Peptidases","C2: Calpain","C1: Papain","T1: Proteasome"}

> <pathway_reactome>
{"Extracellular matrix organization",Disease,"Immune System","Gene expression (Transcription)","Cell Cycle",Metabolism,"Degradation of the extracellular matrix","Diseases of programmed cell death","In
nate Immune System","RNA Polymerase II Transcription",Mitotic,"Biological oxidations","Neurodegenerative Diseases","Toll-like Receptor Cascades","Generic Transcription Pathway","Regulation of mitotic 
cell cycle","Phase I - Functionalization of compounds","Deregulated CDK5 triggers multiple neurodegenerative pathways in Alzheimer's disease models","Trafficking and processing of endosomal TLR","Tran
scriptional regulation by RUNX1","APC/C-mediated degradation of cell cycle proteins","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","RUNX1 regulates transcription of genes involved in diffe
rentiation of keratinocytes","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","MyD88 cascade initiated on plasma membrane","APC/C:Cdc20 mediated degradation of mitotic pr
oteins","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho
-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{PSMB1}

> <broad_moa>
{"proteasome inhibitor"}

> <synonyms>
{G13,BRD-K60230970-001-04-3,BRDK60230970001043,BRD-K60230970-001-05-0,BRDK60230970001050,BRD-K60230970-001-06-8,BRDK60230970001068,BRD-K60230970-001-07-6,BRDK60230970001076,BRD-K60230970-001-08-4,BRDK
60230970001084,BRD-K60230970-001-10-0,BRDK60230970001100,"MG-132 - CAS 133407-82-6","MG132  CAS 133407826",MG-132,MG132,133407-82-6,133407826,Z-Leu-leu-leu-al,ZLeuleuleual,"MG 132",Zlllal,Z-LLL-CHO,ZL
LLCHO,Zlll-cho,Zlllcho,Z-Leu-,ZLeu,S2619}

> <pdid>
PD003402

> <targets>
{Proteasome}

> <classes>
{}

> <pubchem_cids>
{462382}

$$$$
Broad_2021
  SciTegic11012413022D

 41 44  0  0  1  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  2  0  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
    1.0227   -4.4277    0.0000 C   0  0
    0.7514   -5.9029    0.0000 O   0  0
    2.4369   -3.9252    0.0000 N   0  0
    3.5798   -4.8979    0.0000 C   0  0
    4.9940   -4.3954    0.0000 C   0  0
    6.1377   -5.3659    0.0000 C   0  0
    7.5501   -4.8608    0.0000 C   0  0
    7.8189   -3.3851    0.0000 C   0  0
    6.6752   -2.4145    0.0000 C   0  0
    5.2628   -2.9196    0.0000 C   0  0
    3.3084   -6.3739    0.0000 C   0  0
    4.4490   -7.3482    0.0000 C   0  0
    4.1757   -8.8231    0.0000 C   0  0
    2.7618   -9.3238    0.0000 C   0  0
    1.6211   -8.3497    0.0000 C   0  0
    1.8944   -6.8748    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  6
 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>
Broad_2021

> <id>
33714

> <plate>
Plate_1

> <well>
F14

> <supplier_cmpd_name>
Xevinapant

> <ctcr_id>
7939

> <supplier_cmpd_id>
Xevinapant

> <smiles>
CNC(C)C(=O)NC1CN(CCC2CC[C@H](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>
{T40,AT-406,AT406,1071992-99-8,1071992998,Xevinapant,"AT 406","SM 406",CHEMBL2158051,QCR-136,QCR136,"Debio 1143",Debio-1143,Debio1143,UNII-N65WC8PXDD,UNIIN65WC8PXDD,SM-406,SM406,N65WC8PXDD,AT-406(AT40
6),AT406(AT406),"AT-406 (SM-406)","AT406 (SM406)","DeBio-1143 (AT-406)","DeBio1143 (AT406)","1071992-99-8 (free base)","1071992998 (free base)",1071992-57-8,1071992578,"AT406 (SM-406)",De,S2754,"AT406
 (SM- 406, ARRY- 334543) "}

> <pdid>
PD003570

> <targets>
{IAP}

> <classes>
{Apoptosis}

> <pubchem_cids>
{25022340}

$$$$
Broad_2021
  SciTegic11012413022D

 32 35  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 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
   -9.0897    3.7657    0.0000 N   0  0
  -10.3910    3.0180    0.0000 C   0  0
  -10.3936    1.5180    0.0000 O   0  0
  -11.6897    3.7702    0.0000 N   0  0
  -12.9910    3.0224    0.0000 C   0  0
  -14.3424    3.6434    0.0000 C   0  0
  -15.3461    2.5287    0.0000 C   0  0
  -16.8378    2.6854    0.0000 C   0  0
  -14.5960    1.2296    0.0000 O   0  0
  -13.1288    1.5415    0.0000 N   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Cl  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -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  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 19  2  0
 14 25  1  0
 25 26  1  0
 25 27  2  0
 27 11  1  0
  9 28  2  0
 28  5  1  0
 28 29  1  0
 29 30  2  0
 30  3  1  0
 30 31  1  0
 31 32  1  0
M  END
> <name>
Broad_2021

> <id>
33715

> <plate>
Plate_1

> <well>
G14

> <supplier_cmpd_name>
Tivozanib

> <ctcr_id>
2567

> <supplier_cmpd_id>
Tivozanib

> <smiles>
COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC

> <pd_targets>
{FLT4,EPHB2,PDGFRA,FLT1,KDR,FGF2,EGFR,PDGFRB}

> <pathway_gtopdb>
{Enzyme,"Secreted protein",Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Eph family","Tyrosine protein kinase PDGFR family","Tyrosin
e protein kinase EGFR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XIII RTKs: 
Ephrin receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology",Disease,"Signaling by Receptor Tyrosine Kinases","Nervous system development","Diseases of signal transduction by growth factor receptors and second mess
engers","Signaling by GPCR","Intracellular signaling by second messengers","Signaling by VEGF","Axon guidance","Signaling by PDGFR in disease","Signaling by FGFR in disease","GPCR downstream signallin
g","PIP3 activates AKT signaling","VEGF ligand-receptor interactions","EPH-Ephrin signaling","Drug resistance of PDGFR mutants","VEGFA-VEGFR2 Pathway","Signaling by FGFR3 in disease","G alpha (q) sign
alling events","Negative regulation of the PI3K/AKT network","VEGF binds to VEGFR leading to receptor dimerization","EPHB-mediated forward signaling","Imatinib-resistant PDGFR mutants","VEGFR2 mediate
d cell proliferation","Signaling by FGFR3 point mutants in cancer","Gastrin-CREB signalling pathway via PKC and MAPK",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","FGFR3 mutant receptor activation
","EGFR Transactivation by Gastrin","Signaling by activated point mutants of FGFR3"}

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

> <broad_moa>
{"VEGFR inhibitor"}

> <synonyms>
{"IVOZANIB (AV951","IVOZANIB (AV 951",Tivozanib,475108-18-0,475108180,"475108 18 0",AV-951,AV951,"AV 951","Tivozanib (AV-951)","Tivozanib (AV951)","Tivozanib (AV 951)",KRN-951,KRN951,"KRN 951",UNII-17
2030934T,UNII172030934T,"UNII 172030934T",CHEMBL1289494,AV-951;KRN951,AV951;KRN951,"AV 951;KRN951",AV-951(Tivozanib),AV951(Tivozanib),"AV 951(Tivozanib)",172030934T,fotivda,Kil-8951,Kil8951,"Kil 8951"
,ASP-4130,ASP4130,"ASP 4130","Tivozanib (USAN:INN)",4ase,KIL8951,T,T2456,S1207,"EMD 676483",tivozanib,676483}

> <pdid>
PD003428

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

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{9911830}

$$$$
Broad_2021
  SciTegic11012413022D

 25 27  0  0  1  0            999 V2000
    4.6388   -8.1760    0.0000 N   0  0
    3.2151   -7.7040    0.0000 C   0  0
    2.0947   -8.7014    0.0000 O   0  0
    2.9122   -6.2341    0.0000 N   0  0
    4.0312   -5.2378    0.0000 C   0  0
    5.4984   -5.5497    0.0000 C   0  0
    6.2484   -4.2507    0.0000 C   0  0
    5.2447   -3.1359    0.0000 S   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  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 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    7.7410   -4.0938    0.0000 C   0  0
    8.7076   -5.2343    0.0000 C   0  0
   10.1833   -4.9657    0.0000 C   0  0
   10.6886   -3.5534    0.0000 C   0  0
    9.7181   -2.4097    0.0000 C   0  0
   10.2234   -0.9973    0.0000 F   0  0
    8.2423   -2.6783    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9  5  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 13 12  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
  7 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 19  1  0
M  END
> <name>
Broad_2021

> <id>
33716

> <plate>
Plate_1

> <well>
H14

> <supplier_cmpd_name>
AZD-7762

> <ctcr_id>
1188

> <supplier_cmpd_id>
AZD-7762

> <smiles>
NC(=O)Nc1cc(sc1C(=O)N[C@H]2CCCNC2)c3cccc(F)c3

> <pd_targets>
{CHEK1,CHEK2,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","CAMK protein kinase group","Voltage-gated potassium channel","CAMK protein kinase CAMK1 family","CAMK pr
otein kinase RAD53 family","CAMK protein kinase CHK1 subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","CAMK: Calcium/calmodulin-dependent protein kinases","Potassium channels","CAMK-like (CAMKL) family","Voltage-gated potassiu
m channels","CHK1 subfamily"}

> <pathway_reactome>
{"DNA Repair","Gene expression (Transcription)","Muscle contraction","DNA Double-Strand Break Repair","RNA Polymerase II Transcription","Cardiac conduction","Homology Directed Repair","Generic Transcr
iption Pathway","Phase 3 - rapid repolarisation","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by TP53","HDR through Homologous Recombinatio
n (HRR)","Regulation of TP53 Activity","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Expression and Degradation","Presynaptic phase of homologous DNA pairing and strand exchange","R
egulation of TP53 Degradation"}

> <broad_targets>
{CHEK1,CHEK2}

> <broad_moa>
{"CHK inhibitor"}

> <synonyms>
{AZD7762,860352-01-8,860352018,AZD-7762,(S)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide,(S)5(3Fluorophenyl)N(piperidin3yl)3ureidothiophene2carboxamide,"AZD 7762",UNII-5D822Y3
L1H,UNII5D822Y3L1H,"860352-01-8 (free base)","860352018 (free base)",CHEMBL2041933,5D822Y3L1H,5-(3-Fluorophenyl)-N-((3s)-3-Piperidyl)-3-Ureido-Thiophene-2-Ca,5(3Fluorophenyl)N((3s)3Piperidyl)3UreidoTh
iophene2Ca,T6093,S1532}

> <pdid>
PD003297

> <targets>
{CHK,"Checkpoint Kinase (Chk)"}

> <classes>
{Cell Cycle/DNA Damage}

> <pubchem_cids>
{11152667}

$$$$
Broad_2021
  SciTegic11012413022D

 40 44  0  0  0  0            999 V2000
    5.2311   -3.4009    0.0000 C   0  0
    3.8056   -3.8679    0.0000 N   0  0
    3.3372   -5.2929    0.0000 N   0  0
    1.8372   -5.2877    0.0000 C   0  0
    0.9513   -6.4982    0.0000 C   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
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -5.1968    1.5003    0.0000 C   0  0
   -6.4948    0.7483    0.0000 C   0  0
   -7.7950    1.4963    0.0000 C   0  0
   -9.0951    0.7465    0.0000 N   0  0
  -10.3950    1.4967    0.0000 C   0  0
  -10.3948    2.9967    0.0000 O   0  0
  -11.6951    0.7469    0.0000 C   0  0
  -12.9954    1.4948    0.0000 C   0  0
  -14.2932    0.7427    0.0000 C   0  0
  -14.2909   -0.7573    0.0000 C   0  0
  -12.9907   -1.5052    0.0000 C   0  0
  -11.6928   -0.7532    0.0000 C   0  0
  -12.9883   -3.0061    0.0000 C   0  0
  -14.2857   -3.7589    0.0000 F   0  0
  -11.6879   -3.7536    0.0000 F   0  0
  -12.9853   -4.5061    0.0000 F   0  0
   -7.7974    2.9963    0.0000 C   0  0
   -6.4995    3.7483    0.0000 C   0  0
   -5.1993    3.0004    0.0000 C   0  0
   -3.9015    3.7525    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 12  1  0
 19 20  2  0
 20  9  1  0
 14 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 31 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
 23 37  2  0
 37 38  1  0
 38 39  2  0
 39 21  1  0
 39 40  1  0
M  END
> <name>
Broad_2021

> <id>
33717

> <plate>
Plate_1

> <well>
I14

> <supplier_cmpd_name>
Pluripotin

> <ctcr_id>
8334

> <supplier_cmpd_id>
Pluripotin

> <smiles>
Cn1nc(C)cc1Nc2ncc3CN(C(=O)N(C)c3n2)c4cc(NC(=O)c5cccc(c5)C(F)(F)F)ccc4C

> <pd_targets>
{TNK2,MAP4K2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","STE protein kinase group","Tyrosine protein kinase Ack family","STE protein kinase STE20 family","STE protein kinase KHS 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","TK: Tyrosine kinase","STE20 family","Non-recept
or tyrosine kinases (nRTKs)","KHS subfamily","Ack family"}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Pluripotin,839707-37-8,839707378,CHEMBL4213673,C27H25F3N8O2,"Pluripotin (SC1)",SC1(Pluripotin),"Stemolecule SC 1",MLS006010719,SCHEMBL3135215,"Pluripotin, >=98 (HPLC)",BCP02463,EX-A1260,EXA1260,BDBM5
0459216,MFCD20527253,NSC763525,s7752,ZINC38141704,AKOS024458159,T6948,4433}

> <pdid>
PD003293

> <targets>
{ERK}

> <classes>
{}

> <pubchem_cids>
{12003241}

$$$$
Broad_2021
  SciTegic11012413022D

 30 32  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -1.3018    3.7547    0.0000 C   0  0
   -0.0012    3.0074    0.0000 C   0  0
   -1.3044    5.2547    0.0000 O   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -5.1971    2.9990    0.0000 C   0  0
   -6.4977    3.7464    0.0000 C   0  0
   -6.5007    5.2464    0.0000 C   0  0
   -5.2032    5.9990    0.0000 C   0  0
   -3.9027    5.2517    0.0000 C   0  0
   -2.6060    6.0074    0.0000 C   0  0
   -2.6113    7.5082    0.0000 C   0  0
   -1.3146    8.2640    0.0000 C   0  0
   -1.3177    9.7641    0.0000 C   0  0
   -0.0202   10.5168    0.0000 C   0  0
    1.2804    9.7695    0.0000 N   0  3
    2.5779   10.5222    0.0000 O   0  5
    1.2835    8.2695    0.0000 C   0  0
   -0.0139    7.5168    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 12 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 24  1  0
M  CHG  2  27   1  28  -1
M  END
> <name>
Broad_2021

> <id>
33718

> <plate>
Plate_1

> <well>
J14

> <supplier_cmpd_name>
HMN-214

> <ctcr_id>
3513

> <supplier_cmpd_id>
HMN-214

> <smiles>
COc1ccc(cc1)[S](=O)(=O)N(C(C)=O)c2ccccc2C=Cc3cc[n+]([O-])cc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{PLK1}

> <broad_moa>
{"PLK inhibitor"}

> <synonyms>
{HMS3654N14,HMS3672K15,AKOS026750486,AK232286,DB-064912,DB064912,FT-0772787,FT0772787,Q27163286,T2438,S1485,HMN214,HMN-214}

> <pdid>
PD003390

> <targets>
{PLK}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{54143018}

$$$$
Broad_2021
  SciTegic11012413022D

 28 30  0  0  0  0            999 V2000
    9.8506   -2.1513    0.0000 Br  0  5
   -0.7603   -8.0518    0.0000 C   0  0
   -1.2256   -6.6258    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 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  3
    3.8794   -1.4442    0.0000 C   0  0
    4.8823   -2.5608    0.0000 C   0  0
    6.3506   -2.2538    0.0000 C   0  0
    7.3506   -3.3718    0.0000 N   0  0
    6.8824   -4.7969    0.0000 C   0  0
    5.4142   -5.1039    0.0000 C   0  0
    4.4142   -3.9859    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 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 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
  9 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28  6  1  0
 28 17  2  0
M  CHG  2   1  -1   9   1
M  END
> <name>
Broad_2021

> <id>
33719

> <plate>
Plate_1

> <well>
K14

> <supplier_cmpd_name>
Sepantronium (bromide)

> <ctcr_id>
8254

> <supplier_cmpd_id>
Sepantronium (bromide)

> <smiles>
[Br-].COCCn1c(C)[n+](Cc2cnccn2)c3C(=O)c4ccccc4C(=O)c13

> <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>
{8166194,781661-94-7,781661947,"Sepantronium bromide",YM155,YM-155,"Ym 155","YM155 (Sepantronium Bromide)",UNII-7H5Q4J1CM5,UNII7H5Q4J1CM5,7H5Q4J1CM5,"Sepantronium bromide (USAN:INN)","sepantronii brom
idum","bromuro de sepantronio","bromure de sepantronium",MLS006010288,SCHEMBL,T2111,S1130,11490,"YM155 (Sepantronium Bromide)","Sepantronium (bromide)"}

> <pdid>
PD003332

> <targets>
{Autophagy,Survivin}

> <classes>
{Apoptosis,Autophagy}

> <pubchem_cids>
{11178236}

$$$$
Broad_2021
  SciTegic11012413022D

 30 34  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -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
   -1.8244   -5.7203    0.0000 N   0  0
   -2.8573   -6.8079    0.0000 C   0  0
   -2.5846   -8.2837    0.0000 C   0  0
   -1.2168   -8.8872    0.0000 C   0  0
   -1.0559  -10.3786    0.0000 C   0  0
   -2.2670  -11.2635    0.0000 C   0  0
   -3.6390  -10.6572    0.0000 C   0  0
   -3.7999   -9.1658    0.0000 C   0  0
   -2.1091  -12.7561    0.0000 C   0  0
   -3.3215  -13.6393    0.0000 O   0  0
   -0.7382  -13.3648    0.0000 O   0  0
   -4.2101   -6.1617    0.0000 N   0  0
   -5.5962   -6.7352    0.0000 N   0  0
   -6.7859   -5.8216    0.0000 C   0  0
   -6.5895   -4.3345    0.0000 N   0  0
   -5.2035   -3.7611    0.0000 C   0  0
   -4.0138   -4.6747    0.0000 C   0  0
   -5.0071   -2.2740    0.0000 N   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 16 19  1  0
 19 20  2  0
 19 21  1  0
 12 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  3
 25 26  1  0
 26 27  2  3
 27 10  1  0
 27 22  1  0
 26 28  1  0
  9 29  1  0
 29 30  2  3
 30  3  1  0
 30  7  1  0
M  END
> <name>
Broad_2021

> <id>
33720

> <plate>
Plate_1

> <well>
L14

> <supplier_cmpd_name>
OSI-027

> <ctcr_id>
8291

> <supplier_cmpd_id>
OSI-027

> <smiles>
COC1=CC=CC2=C\C(=C/3\N=C(C4CCC(CC4)C(=O)O)N5NC=NC(=C35)N)\N=C12

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SI02,OSI-027,OSI027,936890-98-1,936890981,"OSI 027",UNII-25MKH1SZ0M,UNII25MKH1SZ0M,25MKH1SZ0M,CHEMBL2132692,CHEMBL3120215,"936890-98-1 (free acid)","936890981 (free acid)",1187559-66-5,1187559665,cc-
501,cc501,MLS006011006,SCHEMBL976795,SCHEMBL976796,SCHEMBL20482333,SCHEMBL22594988,SCHEMBL22787096,CHEBI:91363,EX-A143,EXA143,S2624}

> <pdid>
PD038828

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{135398516}

$$$$
Broad_2021
  SciTegic11012413022D

 24 24  0  0  0  0            999 V2000
    9.5629   -0.4995    0.0000 Cl  0  0
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0
    6.3098   -5.7131    0.0000 C   0  0
    7.0575   -4.4127    0.0000 O   0  0
    7.0625   -7.0106    0.0000 O   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6071    5.9984    0.0000 Cl  0  0
    1.2938    3.7562    0.0000 C   0  0
    1.2890    5.2570    0.0000 C   0  0
    2.5852    6.0119    0.0000 Cl  0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  4 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17  3  1  0
 17 12  1  0
 14 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 18 22  1  0
 22 23  1  0
 23 24  1  0
M  END
> <name>
Broad_2021

> <id>
33721

> <plate>
Plate_1

> <well>
M14

> <supplier_cmpd_name>
Bendamustine (hydrochloride)

> <ctcr_id>
4363

> <supplier_cmpd_id>
Bendamustine (hydrochloride)

> <smiles>
Cl.Cn1c(CCCC(O)=O)nc2cc(ccc12)N(CCCl)CCCl

> <pd_targets>
{HDAC1,HDAC6,HDAC10,HDAC2,HDAC8,HDAC3}

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

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

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Cell Cycle","Disorders of Developmental Biology","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second me
ssengers",Mitotic,"Disorders of Nervous System Development","Generic Transcription Pathway","Signaling by NOTCH1 in Cancer","M Phase","Pervasive developmental disorders","Transcriptional regulation by
 RUNX2","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Loss of function of MECP2 in Rett syndrome","RUNX2 regulates bone 
development","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Regulation of TP53 Activity","Mitotic Anaphase","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 regulates osteoblast different
iation","Regulation of TP53 Activity through Acetylation","Separation of Sister Chromatids","Loss of MECP2 binding ability to the NCoR/SMRT complex"}

> <broad_targets>
{}

> <broad_moa>
{"DNA inhibitor"}

> <synonyms>
{"Bendamustine hydrochloride",3543-75-7,3543757,"Bendamustine HCl",Treanda,Ribomustin,Cytostasan,"Bendamustin hydrochloride",SDX-105,SDX105,"IMET 3393",Treakisym,"SyB L-0501","SyB L0501","Bendamustine
 (hydrochloride)",Bendeka,UNII-981Y8SX18M,UNII981Y8SX18M,"SDX 105",3,T0095,138783,S1212,"NSC 138783","Bendamustine HCl","bendamustine hydrochloride"}

> <pdid>
PD003516

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

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

> <pubchem_cids>
{77082,46863991}

$$$$
Broad_2021
  SciTegic11012413022D

 32 35  0  0  0  0            999 V2000
    6.6529    1.1556    0.0000 C   0  0
    5.6342    0.0546    0.0000 C   0  0
    6.0788   -1.3780    0.0000 C   0  0
    4.1703    0.3856    0.0000 O   0  0
    3.1510   -0.7161    0.0000 C   0  0
    3.5956   -2.1486    0.0000 O   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 N   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -2.0840   -1.8307    0.0000 C   0  0
   -2.6720    0.7451    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.2135   -2.9844    0.0000 N   0  0
    0.0000   -3.8661    0.0000 C   0  0
   -0.1560   -5.3568    0.0000 C   0  0
   -1.5264   -5.9669    0.0000 C   0  0
   -2.7399   -5.0853    0.0000 C   0  0
   -2.5831   -3.5935    0.0000 C   0  0
   -1.2135   -2.9844    0.0000 C   0  0
   -0.0031    3.2314    0.0000 C   0  0
    1.2947    3.9836    0.0000 O   0  0
   -1.3039    3.9799    0.0000 C   0  0
   -1.3092    5.4799    0.0000 C   0  0
   -2.6108    6.2255    0.0000 C   0  0
   -3.9072    5.4710    0.0000 C   0  0
   -5.2088    6.2165    0.0000 F   0  0
   -3.9020    3.9710    0.0000 C   0  0
   -5.1985    3.2165    0.0000 F   0  0
   -2.6004    3.2255    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  3
  8  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  2  0
 15  7  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 14  1  0
 22 17  1  0
  9 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 30 32  2  0
 32 25  1  0
M  END
> <name>
Broad_2021

> <id>
33722

> <plate>
Plate_1

> <well>
N14

> <supplier_cmpd_name>
Turofexorate isopropyl

> <ctcr_id>
6406

> <supplier_cmpd_id>
Turofexorate isopropyl

> <smiles>
CC(C)OC(=O)C1=CN(CC(C)(C)c2c1[nH]c3ccccc23)C(=O)c4ccc(F)c(F)c4

> <pd_targets>
{PGR,AR,NR3C1,NR1H4,ESR1,NR3C2}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 3","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfam
ily 1 group H","Nuclear hormone receptor subfamily 3 group A","Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 3 group C member 4","Nuclear hormone receptor 
subfamily 3 group C member 1","Nuclear hormone receptor subfamily 1 group H member 4","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamily 3 group C member 2"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","Steroid hormone receptors","1H. Liver X receptor-like receptors","3C. 3-Ketosteroid receptors","3A. Estrogen receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Gene expression (Transcription)",Metabolism,"Post-translational protein modification","RNA Polymerase II Transcription","Metabolism of lipids",SUMOylation,"Generic Transcrip
tion Pathway","Metabolism of steroids","SUMO E3 ligases SUMOylate target proteins","Transcriptional regulation by RUNX2","FOXO-mediated transcription","Bile acid and bile salt metabolism","Transcripti
onal regulation by RUNX1","SUMOylation of intracellular receptors","RUNX2 regulates bone development","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Synthesis of bil
e acids and bile salts","RUNX1 regulates estrogen receptor mediated transcription","RUNX2 regulates osteoblast differentiation","Synthesis of bile acids and bile salts via 27-hydroxycholesterol"}

> <broad_targets>
{NR1H4}

> <broad_moa>
{"FXR agonist"}

> <synonyms>
{629664-81-9,629664819,"Turofexorate isopropyl",WAY-362450,WAY362450,XL335,"Turofexorate Isopropyl (XL335)",FXR-450,FXR450,"WAY 362450","FXR 450",UNII-S6KDM312I5,UNIIS6KDM312I5,"XL 335",S6KDM312I5,XL-
335,"WAY-362450; XL335; FXR-450","WAY362450; XL335; FXR450","Turofexorate isopropyl (USAN:INN)",33Y,MLS006011,T6053,1749,S2694,"Turofexorate Isopropyl"}

> <pdid>
PD003423

> <targets>
{FXR,Autophagy}

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

> <pubchem_cids>
{10026128}

$$$$
Broad_2021
  SciTegic11012413022D

 40 45  0  0  0  0            999 V2000
   10.0511  -14.7351    0.0000 C   0  0
    9.4065  -13.3807    0.0000 C   0  0
    7.9112  -13.2621    0.0000 C   0  0
    8.5560  -14.6162    0.0000 C   0  0
   10.2555  -12.1461    0.0000 C   0  0
   11.7550  -12.1072    0.0000 O   0  0
   12.1813  -10.6691    0.0000 N   0  0
   10.9460   -9.8410    0.0000 C   0  0
   10.9040   -8.3408    0.0000 N   0  0
    9.5842   -7.6262    0.0000 C   0  0
    8.3064   -8.4119    0.0000 O   0  0
    9.5422   -6.1260    0.0000 N   0  0
    8.2224   -5.4114    0.0000 C   0  0
    8.1783   -3.9120    0.0000 C   0  0
    6.8578   -3.2005    0.0000 C   0  0
    5.5861   -3.9865    0.0000 C   0  0
    5.6255   -5.4877    0.0000 C   0  0
    6.9460   -6.1992    0.0000 C   0  0
    4.2151   -3.3761    0.0000 C   0  0
    3.9032   -1.9089    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 O   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 S   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.9160   -4.1261    0.0000 N   0  0
    9.7551  -10.7320    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 29  1  0
 25 35  1  0
 35 36  2  0
 36 22  1  0
 36 37  1  0
 37 38  1  0
 38 21  1  0
 38 39  2  0
 39 19  1  0
  8 40  1  0
 40  5  2  0
M  END
> <name>
Broad_2021

> <id>
33723

> <plate>
Plate_1

> <well>
O14

> <supplier_cmpd_name>
Quizartinib

> <ctcr_id>
5565

> <supplier_cmpd_id>
Quizartinib

> <smiles>
CC(C)(C)c1onc(NC(=O)Nc2ccc(cc2)c3cn4c5ccc(OCCN6CCOCC6)cc5sc4n3)c1

> <pd_targets>
{EPHA3,EPHA6,MKNK2,MAP3K7,PDGFRB,RET,MAPK15,FRK,HIPK4,STK10,NTRK2,FLT1,FLT3,KIT,PDGFRA,KDR,DDR1,MAP4K4,NTRK1,RIPK1,RIPK2,CSF1R,NTRK3,MAP3K19,EPHA7,SLK,ABL1,FLT4,MUSK,MYLK,LYN,DDR2,EPHB6,MAP4K5,TNIK,LC
K,MYLK3,TIE1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","TK protein kinase group","CAMK protein kinase group","TKL protein kinase group","CMGC protein kinase group","STE protein kinase group","Tyrosine
 protein kinase Eph family","CAMK protein kinase MAPKAPK family","TKL protein kinase MLK family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Ret family","CMGC protein kinase MAPK f
amily","Tyrosine protein kinase Src family","CMGC protein kinase DYRK family","STE protein kinase STE20 family","Tyrosine protein kinase Trk family","Tyrosine protein kinase VEGFR family","Tyrosine pr
otein kinase DDR family","TKL protein kinase RIPK family","STE protein kinase STE11 family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Musk family","CAMK protein kinase MLCK family"
,"Tyrosine protein kinase Tie family","CAMK protein kinase MNK subfamily","TKL protein kinase TAK1 subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase SLK subfamily","STE protein kinas
e MSN subfamily","STE protein kinase KHS subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs o
f yeast Sterile 7","Sterile 11","Sterile 20 kinases","TK: Tyrosine kinase","MAPK-Activated Protein Kinase (MAPKAPK) family","TKL: Tyrosine kinase-like","Mitogen-activated protein kinases (MAP kinases)
","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","STE20 family","Myosin Light Chain Kinase (MLCK) family","Receptor tyrosine kinases (RTKs)","MKN subfamily","Mixed Line
age Kinase (MLK) family","Erk7 subfamily","Non-receptor tyrosine kinases (nRTKs)","HIPK subfamily","SLK subfamily","MSN subfamily","Receptor interacting protein kinase (RIPK) family","STE20 subfamily"
,"KHS subfamily","Type XIII RTKs: Ephrin receptor family","TAK1 subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Src family","Type VII RTKs: Neurotrophin recepto
r/Trk family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XVI RTKs: DDR (collagen receptor) family","Abl family","Type IX RTKs: MuSK","Type XII RTKs: TIE family of 
angiopoietin receptors"}

> <pathway_reactome>
{"Developmental Biology","Immune System","Signal Transduction",Disease,"Extracellular matrix organization","Cellular responses to external stimuli","Gene expression (Transcription)","Nervous system de
velopment","Innate Immune System","Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messeng
ers","Non-integrin membrane-ECM interactions","Cellular responses to stress","RNA Polymerase II Transcription","Infectious disease","ECM proteoglycans","Signaling by Rho GTPases","Axon guidance","Toll
-like Receptor Cascades","PIP3 activates AKT signaling","Neutrophil degranulation","Signaling by NTRKs","Signaling by VEGF","Signaling by Insulin receptor","Signaling by KIT in disease","Signaling by 
PDGFR in disease","Cellular Senescence","Generic Transcription Pathway","Leishmania infection","RHO GTPase Effectors","HIV Infection","EPH-Ephrin signaling","Toll Like Receptor 4 (TLR4) Cascade","Nega
tive regulation of the PI3K/AKT network","RET signaling","PTEN Regulation","Signaling by NTRK1 (TRKA)","VEGF ligand-receptor interactions","Insulin receptor signalling cascade","Drug resistance of KIT
 mutants","Drug resistance of PDGFR mutants","VEGFA-VEGFR2 Pathway","Oxidative Stress Induced Senescence","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional Regulation by VENTX","Signaling by NTRK
3 (TRKC)","Parasite infection","RHO GTPases activate PAKs","Leishmania parasite growth and survival","Host Interactions of HIV factors","EPHA-mediated growth cone collapse","MyD88-independent TLR4 cas
cade",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Regulation of PTEN stability and activity","Activation of TRKA receptors","VEGF binds to VEGFR leading to receptor dimerization","IRS-mediated s
ignalling","Dasatinib-resistant KIT mutants","Imatinib-resistant PDGFR mutants","VEGFR2 mediated cell proliferation","Signalling to ERKs","MyD88 cascade initiated on plasma membrane","Activated NTRK3 
signals through PI3K","Leishmania phagocytosis","Anti-inflammatory response favouring Leishmania parasite infection","EPHB-mediated forward signaling","The role of Nef in HIV-1 replication and disease
 pathogenesis","TRIF(TICAM1)-mediated TLR4 signaling","NGF-independant TRKA activation","PI3K Cascade","Prolonged ERK activation events","MAP kinase activation","FCGR3A-mediated phagocytosis","FCGR3A-
mediated IL10 synthesis","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","TRAF6-mediated induction of TAK1 complex within TLR4 complex","ARMS-mediated 
activation","IKK complex recruitment mediated by RIP1","activated TAK1 mediates p38 MAPK activation","Nef Mediated CD4 Down-regulation"}

> <broad_targets>
{CSF1R,FLT3,KIT,PDGFRA,PDGFRB,RET}

> <broad_moa>
{"FLT3 inhibitor"}

> <synonyms>
{HY-13001,HY13001,Quizartinib,950769-58-1,950769581,AC220,"Quizartinib (AC220)",AC-220,"AC 220","Quizartinib HCl",UNII-7LA4O6Q0D3,UNII7LA4O6Q0D3,"Quizartinib freebase","AC 010220",AC010220,7LA4O6Q0D3,
CHEMBL576982,CHEBI:90217,ASP-2689,ASP2689,"950769-58-1 (free base)","950769581 (free base)",113282,T2066,S1526,quizartinib}

> <pdid>
PD003221

> <targets>
{FLT-3,Flt,FLT3,Apoptosis,Autophagy,"Ligand for Target Protein for PROTAC"}

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

> <pubchem_cids>
{24889392}

$$$$
Broad_2021
  SciTegic11012413022D

 27 30  0  0  1  0            999 V2000
    4.0613   -7.0156    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0  1  0  0  0
    6.3090   -5.7131    0.0000 O   0  0
    4.0559   -4.4171    0.0000 C   0  0
    2.5551   -4.4192    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -3.8939    0.7546    0.0000 C   0  0
   -5.1904    1.5090    0.0000 C   0  0
   -6.4920    0.7635    0.0000 C   0  0
   -7.9161    1.2320    0.0000 N   0  0
   -8.8020    0.0215    0.0000 C   0  0
  -10.3020    0.0267    0.0000 C   0  0
   -7.9245   -1.1951    0.0000 C   0  0
   -6.4971   -0.7365    0.0000 C   0  0
   -5.2007   -1.4909    0.0000 C   0  0
   -5.2059   -2.9909    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6923   -4.0811    0.0000 C   0  0
  2  1  1  6
  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  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  2  0
 21 22  1  0
 22 17  1  0
 22 23  2  0
 23 14  1  0
 23 24  1  0
 12 25  1  0
 25  8  1  0
 25 26  2  0
 26  6  1  0
 26 27  1  0
M  END
> <name>
Broad_2021

> <id>
33724

> <plate>
Plate_1

> <well>
P14

> <supplier_cmpd_name>
Brivanib

> <ctcr_id>
694

> <supplier_cmpd_id>
Brivanib

> <smiles>
C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

> <pd_targets>
{BLK,TIE1,KDR,FGFR1,PDGFRA,STK33,ABL1,FLT1,EPHA6,KIT,RIPK2,EPHB6,CYP3A4,RET,EGFR,KCNH2,MAP3K19,MAP4K4,SRC,STK10,DDR1,SLK,TEK,EPHA7,STK32B,TNIK,FLT4,STK35,LCK,FGFR3,ABL2,HCK,MINK1,MAP2K5,MAP4K5,FGFR4,F
GFR2,PDGFRB,CSF1R}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Ion channel",Kinase,"Cytochrome P450","Voltage-gated ion channel","Protein Kinase","Cytochrome P450 family 3","Potassium channels","TK protein kinase group","CAMK prote
in kinase group","TKL protein kinase group","Cytochrome P450 family 3A","Voltage-gated potassium channel","STE protein kinase group","AGC protein kinase group","Other protein kinase group","Tyrosine p
rotein kinase Src family","Tyrosine protein kinase Tie family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase PDGFR family","CAMK protein kinase 
unique family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Eph family","TKL protein kinase RIPK family","Cytochrome P450 3A4","Tyrosine protein kinase Ret family","Tyrosine protein k
inase EGFR family","STE protein kinase STE11 family","STE protein kinase STE20 family","Tyrosine protein kinase DDR family","AGC protein kinase YANK family","Other protein kinase NKF4 family","STE pro
tein kinase STE7 family","STE protein kinase MSN subfamily","STE protein kinase SLK subfamily","STE protein kinase KHS subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Catalytic receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Voltage-gated ion channels","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","C
YP3 family","Potassium channels","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","TK: Tyrosine kinase","CAMK-unique family","TKL: Tyrosine
 kinase-like","Voltage-gated potassium channels","STE20 family","YANK family","Other protein kinases","STE7 family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Receptor
 interacting protein kinase (RIPK) family","STE20 subfamily","MSN subfamily","SLK subfamily","NKF4 family","KHS subfamily","Src family","Type XII RTKs: TIE family of angiopoietin receptors","Type IV R
TKs: VEGF (vascular endothelial growth factor) receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Abl family","Type 
XIII RTKs: Ephrin receptor family","Type XIV RTKs: RET","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XVI RTKs: DDR (collagen receptor) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction",Disease,"Developmental Biology","Immune System",Metabolism,"Muscle contraction","Cellular responses to external stimuli","Extracellular matrix 
organization","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Infectious disease","Nervou
s system development","Innate Immune System","Metabolism of lipids","Signaling by GPCR","Cardiac conduction","Cellular responses to stress","Non-integrin membrane-ECM interactions","MAPK family signal
ing cascades","Intracellular signaling by second messengers","Generic Transcription Pathway","Signaling by VEGF","Signaling by FGFR in disease","Signaling by PDGFR in disease","Leishmania infection","
Axon guidance","Signaling by KIT in disease","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR downstream signalling","Phase 3 - rapid repolarisation","Ce
llular Senescence","Signaling by NTRKs","Neutrophil degranulation","MAPK1/MAPK3 signaling","HIV Infection","Signaling by FGFR","PIP3 activates AKT signaling","Transcriptional regulation by RUNX1","VEG
FA-VEGFR2 Pathway","Signaling by FGFR1 in disease","Drug resistance of PDGFR mutants","Parasite infection","VEGF ligand-receptor interactions","EPH-Ephrin signaling","Drug resistance of KIT mutants","
Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","RET signaling","G alpha (q) signalling events","Oxidative Stress Induced Senescence","Signaling by NTRK1 (TRKA)","RAF/MAP kinas
e cascade","Host Interactions of HIV factors","Signaling by FGFR3 in disease","Signaling by ROBO receptors","Signaling by FGFR4","Signaling by FGFR2 in disease","Negative regulation of the PI3K/AKT ne
twork","Transcriptional Regulation by VENTX","RUNX1 regulates transcription of genes involved in BCR signaling","VEGFR2 mediated cell proliferation","FGFR1 mutant receptor activation","Imatinib-resist
ant PDGFR mutants","Leishmania phagocytosis","VEGF binds to VEGFR leading to receptor dimerization","EPHA-mediated growth cone collapse","Dasatinib-resistant KIT mutants","MyD88 cascade initiated on p
lasma membrane","EPHB-mediated forward signaling","Biosynthesis of maresins","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","The role of Nef in HIV-1 replication and disease p
athogenesis","Signaling by FGFR3 point mutants in cancer","Role of ABL in ROBO-SLIT signaling","Signalling to ERK5","Downstream signaling of activated FGFR4","FGFR2 mutant receptor activation",PI5P,"P
P2A and IER3 Regulate PI3K/AKT Signaling","Signaling by activated point mutants of FGFR1","FCGR3A-mediated phagocytosis","MAP kinase activation","Biosynthesis of maresin-like SPMs","EGFR Transactivati
on by Gastrin","Signalling to RAS","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","FGFR3 mutant receptor activation","Nef and signal transduction","FR
S-mediated FGFR4 signaling","Activated point mutants of FGFR2","activated TAK1 mediates p38 MAPK activation","p38MAPK events","Nef Mediated CD4 Down-regulation","Signaling by activated point mutants o
f FGFR3"}

> <broad_targets>
{CYP3A4,FGFR1,FLT1,KCNH2,KDR}

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

> <synonyms>
{Brivanib,649735-46-6,649735466,BMS-540215,BMS540215,"Brivanib (BMS-540215)","Brivanib (BMS540215)","BMS 540215",UNII-DDU33B674I,UNIIDDU33B674I,"Brivanib (USAN)",CHEMBL377300,DDU33B674I,cc-87,cc87,"Br
ivanib,BMS-540215","Brivanib,BMS540215","Brivanib, BMS 540215",MLS006011288,"Brivanib - BMS-540215","Brivanib  BMS540215",S1084,brivanib}

> <pdid>
PD003474

> <targets>
{VEGFR,FGFR,EGFR}

> <classes>
{}

> <pubchem_cids>
{11234052}

$$$$
Broad_2021
  SciTegic11012413022D

 39 43  0  0  1  0            999 V2000
    9.2971    4.6579    0.0000 C   0  0
    8.0391    3.8409    0.0000 O   0  0
    8.1168    2.3421    0.0000 C   0  0
    9.4532    1.6608    0.0000 O   0  0
    6.8582    1.5246    0.0000 C   0  0
    6.9359    0.0258    0.0000 C   0  0  2  0  0  0
    5.5999    0.7078    0.0000 O   0  0
    8.2730   -0.6559    0.0000 C   0  0
    9.5324    0.1605    0.0000 C   0  0
   10.8695   -0.5212    0.0000 C   0  0
   12.1289    0.2951    0.0000 C   0  0
   13.3872    1.1116    0.0000 C   0  0
   12.0512    1.7931    0.0000 C   0  0
   13.4653   -0.3862    0.0000 O   0  0
    5.6765   -0.7905    0.0000 C   0  0
    5.7542   -2.2885    0.0000 O   0  0
    4.3394   -0.1088    0.0000 O   0  0
    3.0821   -0.9238    0.0000 C   0  0  1  0  0  0
    1.6852   -0.3846    0.0000 C   0  0  1  0  0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 C   0  0
    2.4792    3.4197    0.0000 C   0  0
    3.5155    4.5031    0.0000 O   0  0
    2.8046    5.8240    0.0000 C   0  0
    1.3287    5.5562    0.0000 O   0  0
    1.1278    4.0705    0.0000 C   0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 N   0  0
   -1.2172   -2.9891    0.0000 C   0  0
   -0.0039   -3.8711    0.0000 C   0  0
    1.2099   -2.9897    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0  2  0  0  0
    1.5613   -2.8152    0.0000 C   0  0
    3.0088   -2.4220    0.0000 C   0  0
    4.1745   -3.3632    0.0000 O   0  0
    3.9429   -4.8452    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
  6 15  1  0
 15 16  2  0
 15 17  1  0
 18 17  1  6
 18 19  1  0
 19 20  1  6
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 22  2  0
 26 27  1  0
 27 28  2  0
 28 20  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 35 34  1  1
 35 19  1  0
 35 31  1  0
 35 36  1  0
 36 37  2  3
 37 18  1  0
 37 38  1  0
 38 39  1  0
M  END
> <name>
Broad_2021

> <id>
33725

> <plate>
Plate_1

> <well>
A15

> <supplier_cmpd_name>
Homoharringtonine

> <ctcr_id>
4036

> <supplier_cmpd_id>
Homoharringtonine

> <smiles>
COC(=O)C[C@](O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4OCOc4cc3CCN5CCC[C@]25C=C1OC

> <pd_targets>
{RPL3,HTT,RORC,LEF,CYP3A4}

> <pathway_gtopdb>
{"Unclassified protein","Transcription factor",Enzyme,"Nuclear receptor",Protease,"Cytochrome P450","Nuclear hormone receptor subfamily 1","Metallo protease","Cytochrome P450 family 3","Nuclear hormon
e receptor subfamily 1 group F","Metallo protease MAE clan","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group F member 3","Metallo protease M34 family","Cytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Cytochrome P450","1F. Retinoic acid-related orphans","CYP3 family"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","Signaling by ROBO receptors","Regulation of expression of SLITs and ROBOs","Gene expression (Transcription)",Disease,Metabolism,"
RNA Polymerase II Transcription","Infectious disease","Metabolism of lipids","Generic Transcription Pathway","Uptake and actions of bacterial toxins","Biosynthesis of specialized proresolving mediator
s (SPMs)","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPMs","Regulation of MECP2 expression and act
ivity","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{RPL3}

> <broad_moa>
{"protein synthesis inhibitor"}

> <synonyms>
{homoharringtonine,"Omacetaxine mepesuccinate",Synribo,26833-87-4,26833874,Ceflatonin,Myelostat,CGX-635,CGX635,(-)-homoharringtonine,()homoharringtonine,Omapro,NSC-141633,NSC141633,UNII-6FG8041S5B,UNI
I6FG8041S5B,CHEBI:71019,C29H39NO9,"(2'R,3S,4S,5R)-(-)-homoharringtonine","(2'R,3S,4S,5R)()homoharringtonine",6FG8041S5B,NSC,T3380,758253,1416,SAM001246822,Homoharringtonine,CPD000469230}

> <pdid>
PD003333

> <targets>
{STAT3,STAT}

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

> <pubchem_cids>
{285033}

$$$$
Broad_2021
  SciTegic11012413022D

 21 22  0  0  0  0            999 V2000
    5.0987    0.1239    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2526    1.3618    0.0000 N   0  0
   -6.2524    0.2436    0.0000 C   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -4.0317   -0.7359    0.0000 S   0  0
   -7.7454    0.3952    0.0000 C   0  0
   -8.4584    1.7093    0.0000 C   0  0
   -9.9579    1.7482    0.0000 C   0  0
  -10.7413    0.4691    0.0000 C   0  0
  -12.2408    0.5079    0.0000 Cl  0  0
  -10.0252   -0.8490    0.0000 C   0  0
   -8.5257   -0.8879    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  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  8  1  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
  6 20  1  0
 20 21  2  0
 21  3  1  0
M  END
> <name>
Broad_2021

> <id>
33726

> <plate>
Plate_1

> <well>
B15

> <supplier_cmpd_name>
SKI II

> <ctcr_id>
527

> <supplier_cmpd_id>
SKI II

> <smiles>
Cl.Oc1ccc(Nc2nc(cs2)c3ccc(Cl)cc3)cc1

> <pd_targets>
{MAPT,MAPK1,SPHK1,SPHK2,ALOX5,VCP,RORC,MAPKAPK2,ALOX15,MAP4K4,KMT2A,MEN1,MINK1,DEGS1,TSHR,PIM3,LEF,CYP3A4}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,Transporter,"Transcription factor","Epigenetic regulator","Membrane receptor",Kinase,Oxidoreductase,"Primary active transporter","Nuclear receptor",Reader,"Family A G
 protein-coupled receptor",Protease,"Cytochrome P450","Protein Kinase","Endoplasmic reticular retrotranslocon family","Nuclear hormone receptor subfamily 1",Bromodomain,"Peptide receptor (family A GPC
R)","Metallo protease","Cytochrome P450 family 3","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","CAMK protein kinase group","STE protein kinase group","Glycohormone recept
or","Metallo protease MAE clan","Cytochrome P450 family 3A","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","CAMK protein kinase MAPKAPK family","STE protein 
kinase STE20 family","CAMK protein kinase PIM family","Metallo protease M34 family","Cytochrome P450 3A4","CMGC protein kinase ERK1","CAMK protein kinase MAPKAPK subfamily","STE protein kinase MSN sub
family"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Sphingosine 1-phosphate turnover","Eicosanoid turnover","Nuclear hormone receptors","Ceramide turnover","G protein-coupled receptors","Cytochrome P450","CMGC
: Containing CDK",MAPK,GSK3,"CLK families","Sphingosine kinase",Lipoxygenases,"1F. Retinoic acid-related orphans","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7
","Sterile 11","Sterile 20 kinases","Sphingolipid &Delta;<sup>4</sup>-desaturase","Glycoprotein hormone receptors","CYP3 family","Mitogen-activated protein kinases (MAP kinases)","MAPK-Activated Prote
in Kinase (MAPKAPK) family","STE20 family","PIM family","ERK subfamily","MAPKAPK subfamily","MSN subfamily"}

> <pathway_reactome>
{"Neuronal System","Immune System","Signal Transduction",Metabolism,Disease,"Gene expression (Transcription)","Cellular responses to external stimuli","Transmission across Chemical Synapses","Innate I
mmune System","Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","Infectious disease","RNA Polymerase II Transcription","Cellular responses to stress","Neurotransmitter receptors and post
synaptic signal transmission","Toll-like Receptor Cascades","Signaling by VEGF","Sphingolipid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","SARS-CoV Infections","Generic Tra
nscription Pathway","Cellular Senescence","Leishmania infection","Uptake and actions of bacterial toxins","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 5 (TLR5) Cascade","
VEGFA-VEGFR2 Pathway","Sphingolipid de novo biosynthesis","Biosynthesis of DPA-derived SPMs","SARS-CoV-1 Infection","Transcriptional regulation by RUNX3","Oxidative Stress Induced Senescence","Leishma
nia parasite growth and survival","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPMs","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","VEGFR2
 mediated cell proliferation","Biosynthesis of DPAn-3 SPMs","Attachment and Entry","RUNX3 Regulates Immune Response and Cell Migration","Anti-inflammatory response favouring Leishmania parasite infect
ion","Biosynthesis of maresins","Activation of AMPK downstream of NMDARs","MAP kinase activation","Biosynthesis of DPAn-3-derived 13-series resolvins","Biosynthesis of DPAn-3-derived protectins and re
solvins","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","CREB phosphorylation",
"ERKs are inactivated"}

> <broad_targets>
{SPHK1}

> <broad_moa>
{"sphingosine kinase inhibitor"}

> <synonyms>
{"Sphingosine Kinase Inhibitor",1177741-83-1,1177741831,"SKI-II HCl","SKIII HCl","2-(4-Hydroxyanilino)-4-(4-chlorophenyl)thiazole hydrochloride","2(4Hydroxyanilino)4(4chlorophenyl)thiazole hydrochlori
de","4-((4-(4-chlorophenyl)-1,3-thiazol-2-yl)amino)phenol;hydrochloride","4((4(4chlorophenyl)1,3thiazol2yl)amino)phenol;hydrochloride","SK Inhibitor","SKI-II Hydrochlori","SKIII Hydrochlori",T6673,"EM
D 567731","SKI II",567731}

> <pdid>
PD003500

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{16760659}

$$$$
Broad_2021
  SciTegic11012413022D

 40 43  0  0  1  0            999 V2000
    6.3990   -6.3774    0.0000 Cl  0  0
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 O   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -5.1961   -6.0000    0.0000 C   0  0
   -5.1961   -7.5000    0.0000 C   0  0  2  0  0  0
   -6.4764   -6.7185    0.0000 O   0  0
   -3.8971   -8.2500    0.0000 C   0  0
   -2.5980   -7.5000    0.0000 C   0  0  2  0  0  0
   -1.2998   -8.2531    0.0000 O   0  0
   -1.3019   -9.7539    0.0000 C   0  0
   -0.0055  -10.5085    0.0000 C   0  0
   -0.0107  -12.0085    0.0000 C   0  0
    1.2858  -12.7630    0.0000 N   0  0
   -1.3123  -12.7540    0.0000 C   0  0
   -1.3175  -14.2540    0.0000 O   0  0
   -2.6087  -11.9995    0.0000 C   0  0
   -3.9104  -12.7450    0.0000 C   0  0
   -2.6036  -10.4995    0.0000 O   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1596   -8.9800    0.0000 C   0  0
   -6.4587   -9.7299    0.0000 O   0  0
   -3.8602   -9.7310    0.0000 C   0  0
   -3.8599  -11.2310    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 27 29  1  0
 29 21  1  0
 19 30  1  0
 30 14  2  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 33 11  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36  4  1  0
 36  8  2  0
 16 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  1  0
M  END
> <name>
Broad_2021

> <id>
33727

> <plate>
Plate_1

> <well>
C15

> <supplier_cmpd_name>
Doxorubicin hydrochloride

> <ctcr_id>
3694

> <supplier_cmpd_id>
Doxorubicin hydrochloride

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

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

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

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

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

> <broad_targets>
{CHD1,TOP2A}

> <broad_moa>
{"topoisomerase inhibitor"}

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

> <pdid>
PD000383

> <targets>
{}

> <classes>
{"Topoisomerase II Inhibitors"}

> <pubchem_cids>
{32874,5458238,68441416}

$$$$
Broad_2021
  SciTegic11012413022D

 14 14  0  0  0  0            999 V2000
   -1.3359   -5.2323    0.0000 Cl  0  0
   -0.0372   -4.4818    0.0000 C   0  0
   -0.0368   -2.9810    0.0000 C   0  0
    1.2626   -2.2300    0.0000 N   0  0
    2.5609   -2.9829    0.0000 C   0  0
    2.5589   -4.4838    0.0000 C   0  0
    3.8565   -5.2363    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 P   0  0
    2.5793    0.0316    0.0000 O   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 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  4  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  8  1  0
M  END
> <name>
Broad_2021

> <id>
33728

> <plate>
Plate_1

> <well>
D15

> <supplier_cmpd_name>
Cyclophosphamide

> <ctcr_id>
2155

> <supplier_cmpd_id>
Cyclophosphamide

> <smiles>
ClCCN(CCCl)[P]1(=O)NCCCO1

> <pd_targets>
{NPSR1,ALOX15,KDM4E}

> <pathway_gtopdb>
{"Membrane receptor",Enzyme,"Epigenetic regulator","Family A G protein-coupled receptor",Oxidoreductase,Eraser,"Peptide receptor (family A GPCR)","Lysine demethylase","Short peptide receptor (family A
 GPCR)","Jumonji domain-containing","Neuropeptide receptor"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Eicosanoid turnover","Chromatin modifying enzymes","Neuropeptide S receptor",Lipoxygenases,"1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Disease,Metabolism,"Infectious disease","Metabolism of lipids","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania parasite growth and survival","Biosynthes
is of DPA-derived SPMs","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of DPAn-3 SPMs","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of DP
An-3-derived protectins and resolvins"}

> <broad_targets>
{CYP2A6,CYP2B6,CYP2C18,CYP2C19,CYP2C8,CYP2C9,CYP2D6,CYP3A4,CYP3A5,CYP3A7}

> <broad_moa>
{"DNA alkylating agent"}

> <synonyms>
{cyclophosphamide,50-18-0,50180,Cyclophosphamid,Cytoxan,Cyclophosphane,Neosar,Cytophosphan,Procytox,Clafen,Endoxan,Cyclophosphan,Cyclostin,Sendoxan,Cyclophosphamidum,Cytophosphane,Claphene,Endoxana,En
doxanal,Genoxal,Endoxan-Asta,EndoxanAsta,"Endoxan R",Zyklophos,T0707,26271,NSC26271,Prestw-1481,"NSC 26271
NSC 26271","Cyclophosphamide monohydrate",Cyclophosphamide}

> <pdid>
PD002782

> <targets>
{}

> <classes>
{"Alkylating agent"}

> <pubchem_cids>
{2907}

$$$$
Broad_2021
  SciTegic11012413022D

 27 29  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -3.9492    0.8772    0.0000 N   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -6.4462    1.8312    0.0000 O   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.8154    4.6596    0.0000 C   0  0
   -3.9334    5.8739    0.0000 C   0  0
   -4.4071    7.2837    0.0000 O   0  0
   -3.1919    8.1631    0.0000 C   0  0
   -1.9800    7.2791    0.0000 C   0  0
   -2.4463    5.8534    0.0000 C   0  0
   -3.1859    9.6613    0.0000 N   0  3
   -4.4822   10.4161    0.0000 O   0  5
   -1.8844   10.4069    0.0000 O   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -1.6199    3.9798    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  6  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 18  2  0
 20 23  1  0
 23 24  1  0
 23 25  2  0
 16 26  1  0
 26 12  1  0
 26 27  2  0
M  CHG  2  23   1  24  -1
M  END
> <name>
Broad_2021

> <id>
33729

> <plate>
Plate_1

> <well>
E15

> <supplier_cmpd_name>
PYR 41

> <ctcr_id>
7333

> <supplier_cmpd_id>
PYR 41

> <smiles>
CCOC(=O)c1ccc(cc1)N2NC(=O)C(=C/c3oc(cc3)[N+]([O-])=O)/C2=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"ubiquitin activating enzyme inhibitor"}

> <synonyms>
{YR4,PYR-41,PYR41,418805-02-4,418805024,"PYR 41",C17H13N3O7,AKOS002343406,SCHEMBL8244763,CHEMBL2322201,AKL-PFC-523155,AKLPFC523155,AOB3015,DTXSID30416554,"Ubiquitin E1 Inhibitor, PYR-41","Ubiquitin E1
 Inhibitor, PYR41",BCP10065,EX-A2145,EXA2145,ZINC5009986,MFCD01469983,NSC746131,s7129,AKOS000542559,ACN-028911,ACN028911,CCG-2,CCG2,S7129}

> <pdid>
PD003401

> <targets>
{"E1 Activating"}

> <classes>
{}

> <pubchem_cids>
{5335621}

$$$$
Broad_2021
  SciTegic11012413022D

 29 33  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 C   0  0
    1.8032    3.1233    0.0000 N   0  0
    2.4134    4.4924    0.0000 C   0  0
    3.9053    4.6489    0.0000 O   0  0
    1.5317    5.7059    0.0000 C   0  0
    0.0400    5.5491    0.0000 C   0  0
   -0.5701    4.1788    0.0000 C   0  0
    0.3114    2.9665    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 O   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.8417    6.7626    0.0000 C   0  0
   -1.4181    5.3777    0.0000 O   0  0
   -1.6822    7.9814    0.0000 C   0  0
   -3.1799    7.8988    0.0000 C   0  0
   -0.2316    8.1329    0.0000 C   0  0
   -1.1133    9.3464    0.0000 O   0  0
    1.2601    8.2897    0.0000 O   0  0
    2.1418    7.0762    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12  6  1  0
 12 13  1  0
 13  4  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21  3  1  0
 21 15  1  0
 10 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 22 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29  9  1  0
M  END
> <name>
Broad_2021

> <id>
33730

> <plate>
Plate_1

> <well>
F15

> <supplier_cmpd_name>
SN-38

> <ctcr_id>
5155

> <supplier_cmpd_id>
SN-38

> <smiles>
CCc1c2CN3C(=O)C4=C(C=C3c2nc5ccc(O)cc15)C(O)(CC)C(=O)OC4

> <pd_targets>
{KMT2A,MEN1,RORC,TOP1,CYP3A4,ABCG2}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor",Reader,"Nuclear receptor",Bromodomain,"Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor sub
family 1 group F member 3",Enzyme,Transporter,Isomerase,"Cytochrome P450","Primary active transporter","Cytochrome P450 family 3","ATP-binding cassette","Cytochrome P450 family 3A","ABCG subfamily","C
ytochrome P450 3A4"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1F. Retinoic acid-related orphans",Enzymes,Transporters,"DNA topoisomerases","Cytochrome P450","ATP-binding cassette transporter family","CYP3 family","ABCG sub
family"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Transcriptional regulation by RUNX3","RUNX3 Regulates Immune Response and Cell Migration","Metabol
ism of proteins",Metabolism,"Post-translational protein modification","Metabolism of lipids","Abacavir transport and metabolism",SUMOylation,"Biosynthesis of specialized proresolving mediators (SPMs)"
,"Abacavir transmembrane transport","SUMO E3 ligases SUMOylate target proteins","Biosynthesis of DHA-derived SPMs","SUMOylation of DNA replication proteins","Biosynthesis of maresins","Biosynthesis of
 maresin-like SPMs"}

> <broad_targets>
{TOP1}

> <broad_moa>
{"topoisomerase inhibitor"}

> <synonyms>
{N3,130144-34-2,130144342,LSM-6189,LSM6189,CHEMBL10206,SCHEMBL733477,SCHEMBL13420265,CHEBI:94969,AMY4248,HMS3269N09,CE0031,STL452994,AKOS015900553,"(R)-7-Ethyl-10-Hydroxy Camptothecin","(R)7Ethyl10Hyd
roxy Camptothecin","rac-4,11-Diethyl-9-hydroxycamptothecin","rac4,11Diethyl9hydroxycamptothecin",SY013197,FT-0630943,FT0630943,FT-0674607,FT0674607,FT-0674608,FT0674608,BRD,S4908,SN-38}

> <pdid>
PD003690

> <targets>
{Topoisomerase}

> <classes>
{"DNA Damage"}

> <pubchem_cids>
{4014291}

$$$$
Broad_2021
  SciTegic11012413022D

 43 49  0  0  1  0            999 V2000
    2.5919    1.5012    0.0000 O   0  0
    3.8933    0.7554    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4990   -0.7409    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
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 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
   -5.3346    5.6990    0.0000 C   0  0
   -6.2121    4.4824    0.0000 C   0  0
   -5.3262    3.2720    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
   -2.4133   -1.7530    0.0000 N   0  0
   -3.8794   -1.4442    0.0000 C   0  0
   -4.8823   -2.5608    0.0000 C   0  0
   -6.3506   -2.2539    0.0000 C   0  0
   -7.3506   -3.3719    0.0000 C   0  0
   -6.8824   -4.7969    0.0000 C   0  0
   -5.4142   -5.1040    0.0000 C   0  0
   -4.4141   -3.9860    0.0000 C   0  0
   -7.8829   -5.9155    0.0000 C   0  0
   -9.3517   -5.6109    0.0000 C   0  0
  -10.3500   -6.7305    0.0000 C   0  0
   -9.8795   -8.1548    0.0000 C   0  0
   -8.4108   -8.4595    0.0000 C   0  0
   -7.4125   -7.3399    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  3  2  1  6
  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
  3 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  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 19  1  0
 23 24  2  0
 24 16  1  0
 14 25  2  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
 32 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
 27 41  1  0
 41 42  2  0
 42 43  1  0
 43 12  1  0
 43 26  2  0
M  END
> <name>
Broad_2021

> <id>
33731

> <plate>
Plate_1

> <well>
G15

> <supplier_cmpd_name>
QS 11

> <ctcr_id>
8346

> <supplier_cmpd_id>
QS 11

> <smiles>
OC[C@H](Cc1ccccc1)Nc2nc(Oc3ccc4CCCc4c3)nc5n(Cc6ccc(cc6)c7ccccc7)cnc25

> <pd_targets>
{ARF1}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{Disease,"Infectious disease","HIV Infection","Host Interactions of HIV factors","The role of Nef in HIV-1 replication and disease pathogenesis","Nef-mediates down modulation of cell surface receptors
 by recruiting them to clathrin adapters","Nef Mediated CD4 Down-regulation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{QS11,944328-88-5,944328885,"QS 11",QS-11,"QS11 free",CHEMBL259181,"QS 11 (QS11,BML-WN117)","QS 11 (QS11,BMLWN117)",cc-398,cc398,MLS006010863,SCHEMBL1056416,CHEBI:94469,C36H33N5O2.H2O,DTXSID90655225,Q
S11/,EX-A2569,EXA2569,ABP000756,BDBM50373058,ZINC29050027,AKOS024457553,CCG-208078,CCG208078,CS-6989,CS6989,QC-8222,QC8222,T4022,3324}

> <pdid>
PD003571

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{42623900}

$$$$
Broad_2021
  SciTegic11012413022D

 13 10  0  0  0  0            999 V2000
   10.1000   -1.1221    0.0000 N   0  0
    7.6000   -1.1221    0.0000 N   0  0
    5.1000   -1.1221    0.0000 Pt  0  2
    1.2999   -3.3035    0.0000 O   0  5
    1.3000   -1.8035    0.0000 C   0  0
    2.5993   -1.0540    0.0000 O   0  0
    0.0000   -1.0607    0.0000 C   0  0
    1.0607    0.0000    0.0000 C   0  0
    0.0000    1.0607    0.0000 C   0  0
   -1.0607    0.0000    0.0000 C   0  0
   -1.3001   -1.8040    0.0000 C   0  0
   -2.5989   -1.0535    0.0000 O   0  5
   -1.3012   -3.3040    0.0000 O   0  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
  7 11  1  0
 11 12  1  0
 11 13  2  0
M  CHG  3   3   2   4  -1  12  -1
M  END
> <name>
Broad_2021

> <id>
33732

> <plate>
Plate_1

> <well>
H15

> <supplier_cmpd_name>
Carboplatin

> <ctcr_id>
1428

> <supplier_cmpd_id>
Carboplatin

> <smiles>
N.N.[Pt++].[O-]C(=O)C1(CCC1)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Paraplatin,UNII-BG3F62OND5,UNIIBG3F62OND5,BG3F62OND5,"cis-Diammine(1,1-cyclobutanedicarboxylato) platinum","cisDiammine(1,1cyclobutanedicarboxylato) platinum","platinum, diammine (1,1-cyclobutane-dic
arboxylato(2-)-0,0')-,(SP-4-2)","platinum, diammine (1,1cyclobutanedicarboxylato(2)0,0'),(SP42)","cis-Diamine(1,1-cyclobutanedicarboxylato)platinum(II)","cisDiamine(1,1cyclobutanedicarboxylato)platinu
m(II)",AMY33401,s1215,CCG-2683,CCG2683,T1058,S1215,1502106,Carboplatin,carboplatin,CARBOPLATIN}

> <pdid>

> <targets>
{"DNA/RNA Synthesis"}

> <classes>
{antineoplastic,convulsant,"DNA Damage"}

> <pubchem_cids>
{10339178}

$$$$
Broad_2021
  SciTegic11012413022D

 38 42  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -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
   -7.5962   -4.1069    0.0000 O   0  0
   -8.9138   -4.8255    0.0000 C   0  0
   -8.9513   -6.3258    0.0000 C   0  0
  -10.2672   -7.0459    0.0000 C   0  0
  -10.3017   -8.5455    0.0000 C   0  0
   -9.0202   -9.3251    0.0000 C   0  0
   -7.7043   -8.6051    0.0000 C   0  0
   -7.6698   -7.1055    0.0000 C   0  0
   -9.0546  -10.8255    0.0000 C   0  0
   -9.0891  -12.3252    0.0000 N   0  0
   -6.0471   -0.4022    0.0000 C   0  0  1  0  0  0
   -7.1349    0.6307    0.0000 O   0  0
   -4.5721   -0.1292    0.0000 C   0  0  1  0  0  0
   -3.9177    1.2205    0.0000 O   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.5496   -4.4224    0.0000 N   0  0
   -1.7973   -5.7210    0.0000 C   0  0
   -2.5450   -7.0224    0.0000 C   0  0
   -1.7950   -8.3214    0.0000 C   0  0
   -2.5450   -9.6205    0.0000 C   0  0
   -4.0450   -9.6206    0.0000 C   0  0
   -4.7949  -10.9196    0.0000 Cl  0  0
   -4.7951   -8.3216    0.0000 C   0  0
   -6.2951   -8.3216    0.0000 Cl  0  0
   -4.0451   -7.0225    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  6
 11 12  1  0
 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
 20 21  3  0
 10 22  1  0
 22 23  1  1
 22 24  1  0
 24  8  1  0
 24 25  1  1
  7 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
 32 34  1  0
 34 35  1  0
 34 36  2  0
 36 29  1  0
 26 37  2  0
 37 38  1  0
 38  2  1  0
 38  6  2  0
M  END
> <name>
Broad_2021

> <id>
33733

> <plate>
Plate_1

> <well>
I15

> <supplier_cmpd_name>
VER 155008

> <ctcr_id>
8315

> <supplier_cmpd_id>
VER 155008

> <smiles>
Nc1ncnc2n([C@@H]3O[C@H](COCc4ccc(cc4)C#N)[C@@H](O)[C@H]3O)c(NCc5ccc(Cl)c(Cl)c5)nc12

> <pd_targets>
{HSPA5,HSPA8}

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

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

> <pathway_reactome>
{"Cellular responses to external stimuli","Cellular responses to stress","Cellular response to heat stress","Regulation of HSF1-mediated heat shock response","HSF1-dependent transactivation","Attenuat
ion phase"}

> <broad_targets>
{HSPA1A}

> <broad_moa>
{"HSP inhibitor"}

> <synonyms>
{13415631,1134156-31-2,1134156312,VER-155008,VER155008,"VER 155008",3FD,4io8,MLS006010638,C25H23Cl2N7O4,CHEMBL470334,"adenosine-derived inhibitor, 12","adenosinederived inhibitor, 12",SCHEMBL16046542,
BDBM32378,CHEBI:95010,DTXSID00649014,BCP11966,EX-A2275,EXA2275,2290AA,ANW-62597,ANW62597,MFCD18086892,s7751,ZINC4,T7010,3803}

> <pdid>
PD003460

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{25195348}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33734

> <plate>
Plate_1

> <well>
J15

> <supplier_cmpd_name>
Thalidomide

> <ctcr_id>
857

> <supplier_cmpd_id>
Thalidomide

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 39 43  0  0  0  0            999 V2000
    9.0983   -0.7368    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    7.8029   -2.9887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 N   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -5.2106    5.9845    0.0000 C   0  0
   -6.5065    5.2275    0.0000 C   0  0
   -6.5019    3.7274    0.0000 C   0  0
   -7.7986    2.9734    0.0000 C   0  0
   -9.1000    3.7194    0.0000 C   0  0
  -10.3967    2.9654    0.0000 Cl  0  0
   -9.1046    5.2194    0.0000 C   0  0
   -7.8079    5.9734    0.0000 C   0  0
   -5.2173    7.4853    0.0000 C   0  0
   -3.9232    8.2439    0.0000 C   0  0
   -3.9330    9.7439    0.0000 C   0  0
   -5.2369   10.4854    0.0000 C   0  0
   -5.2467   11.9853    0.0000 Cl  0  0
   -6.5310    9.7269    0.0000 C   0  0
   -6.5212    8.2269    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
 18 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 26  1  0
 10 33  2  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  8  1  0
 39 34  1  0
M  END
> <name>
Broad_2021

> <id>
33735

> <plate>
Plate_1

> <well>
K15

> <supplier_cmpd_name>
SCH 529074

> <ctcr_id>
8327

> <supplier_cmpd_id>
SCH 529074

> <smiles>
CN(C)CCCNc1nc(CN2CCN(CC2)C(c3ccc(Cl)cc3)c4ccc(Cl)cc4)nc5ccccc15

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"SCH 529074",922150-11-6,922150116,SCH529074,SCH-529074,SCHEMBL4631154,CHEMBL2180126,ZINC95571597,AKOS024458051,NCGC00386733-02,NCGC0038673302,DB-093085,DB093085,HY-110088,HY110088,CS-0032936,CS00329
36,4240}

> <pdid>
PD003492

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{12001922}

$$$$
Broad_2021
  SciTegic11012413022D

 15 16  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  3
  9  2  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
M  END
> <name>
Broad_2021

> <id>
33736

> <plate>
Plate_1

> <well>
L15

> <supplier_cmpd_name>
Ciclopirox

> <ctcr_id>
4411

> <supplier_cmpd_id>
Ciclopirox

> <smiles>
CC1=CC(=O)N(O)C(=C1)C2CCCCC2

> <pd_targets>
{DOHH,APE1,HIF1A,PARP1,KDM4E,RORC,ALOX12,TP53,MAPK1,CYP1A2,LMNA,ATP1A1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator","Unclassified protein","Other nuclear protein",Transporter,Oxidoreductase,Protease,Transferase,Eraser,"Nuclear receptor",Kinase,"Cytochrome P450",
"Primary active transporter","Metallo protease","Lysine demethylase","Nuclear hormone receptor subfamily 1","Protein Kinase","Cytochrome P450 family 1","P-type ATPase","Metallo protease MH clan","Jumo
nji domain-containing","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Cytochrome P450 family 1A","Sodium potassium ATPase","Metallo protease M18 family","Nuclear hormone r
eceptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cytochrome P450 1A1","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Poly ADP-ribose polymerases","Chromatin modifying enzymes","Nuclear hormone receptors","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Cytochrome P450","P-type ATPases",
"1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP1 family","P2C P-type ATPases","Mitogen-activated protein kinases
 (MAP kinases)",Na<sup>+</sup>/K<sup>+</sup>-ATPases,"ERK subfamily"}

> <pathway_reactome>
{"Metabolism of proteins","Cellular responses to external stimuli",Disease,"Gene expression (Transcription)",Metabolism,"Cell Cycle","Immune System","Post-translational protein modification","Cellular
 responses to stress","Infectious disease","RNA Polymerase II Transcription","Metabolism of lipids","Cell Cycle Checkpoints","Innate Immune System","Biological oxidations",Mitotic,"Gamma carboxylation
","hypusine formation and arylsulfatase activation","Cellular response to hypoxia","Influenza Infection","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","G1
/S DNA Damage Checkpoints","Toll-like Receptor Cascades","Phase I - Functionalization of compounds","M Phase","SARS-CoV Infections","Hypusine synthesis from eIF5A-lysine","Oxygen-dependent proline hyd
roxylation of Hypoxia-inducible Factor Alpha","Influenza Viral RNA Transcription and Replication","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","p53-Dependent G1/S DNA damag
e checkpoint","Toll Like Receptor 5 (TLR5) Cascade","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Potential therapeutics for SARS","vRNA Synthesis","RUNX3 Regulates 
Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","p53-Dependent G1 DNA Damage Response","MyD88 cascade initiated on plasma membrane",Xenobiotics,"Mitotic Anaphase","Biosynthesis of DP
An-3-derived maresins","Stabilization of p53","MAP kinase activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Autodegradation of the E3 u
biquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ATP1A1}

> <broad_moa>
{"membrane integrity inhibitor"}

> <synonyms>
{CICLOPIROX,29342-05-0,29342050,Loprox,"HOE 296b",Ciclopiroxum,"2(1H)-Pyridinone, 6-cyclohexyl-1-hydroxy-4-methyl-","2(1H)Pyridinone, 6cyclohexyl1hydroxy4methyl","Ciclopiroxum (INN-Latin)","Ciclopirox
um (INNLatin)",HOE-296b,HOE296b,6-cyclohexyl-1-hydroxy-4-methylpyridin-2(1H)-one,6cyclohexyl1hydroxy4methylpyridin2(1H)one,6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one,6cyclohexyl1hydroxy4methylpyridi
n2one,6-Cyclohexyl-,6Cyclohexyl,T1482,S2528,Ciclopirox}

> <pdid>
PD003531

> <targets>
{Others,Autophagy,Bacterial,Ferroptosis,Fungal}

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

> <pubchem_cids>
{2749}

$$$$
Broad_2021
  SciTegic11012413022D

 16 18  0  0  0  0            999 V2000
    3.1202   -2.0921    0.0000 O   0  0
    1.6281   -2.2462    0.0000 C   0  0
    1.0157   -3.6164    0.0000 N   0  0
    1.8954   -4.8324    0.0000 C   0  0
    1.9985   -6.2503    0.0000 C   0  0
    3.2120   -5.3685    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 O   0  0
   -0.7500   -1.0323    0.0000 N   0  0
    0.0000    2.7767    0.0000 C   0  0
    1.1393    3.7252    0.0000 S   0  0
    0.5656    5.1112    0.0000 C   0  0
   -0.9298    4.9939    0.0000 C   0  0
   -1.2803    3.5354    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  4  1  0
  2  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11  7  2  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 12  2  0
M  END
> <name>
Broad_2021

> <id>
33737

> <plate>
Plate_1

> <well>
M15

> <supplier_cmpd_name>
ISX 9

> <ctcr_id>
8261

> <supplier_cmpd_id>
ISX 9

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{NEUROD1}

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

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

> <pdid>
PD003425

> <targets>
{Calcium Channel}

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

> <pubchem_cids>
{19582717}

$$$$
Broad_2021
  SciTegic11012413022D

 27 31  0  0  0  0            999 V2000
    3.8919   -5.2525    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 S   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 S   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4978   -0.7562    0.0000 N   0  0
    7.7969   -1.5062    0.0000 C   0  0
    9.0960   -0.7561    0.0000 C   0  0
    9.0959    0.7439    0.0000 O   0  0
    7.7969    1.4938    0.0000 C   0  0
    6.4979    0.7438    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  2  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 21  1  0
 21  8  1  0
 21 12  2  0
  4 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
M  END
> <name>
Broad_2021

> <id>
33738

> <plate>
Plate_1

> <well>
N15

> <supplier_cmpd_name>
KU-55933

> <ctcr_id>
4896

> <supplier_cmpd_id>
KU-55933

> <smiles>
O=C1C=C(OC(=C1)c2cccc3Sc4ccccc4Sc23)N5CCOCC5

> <pd_targets>
{PIK3CB,ATM,PRKDC,PIK3CA,MTOR}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Atypical,Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Other PIKK f
amily kinases","FRAP subfamily"}

> <pathway_reactome>
{"Signal Transduction","Cell Cycle","Immune System",Disease,"Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","Cell Cycle Checkpoints","Innate Immune System","Diseases of sign
al transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Signaling by Insulin receptor","G1/S DNA Damage Checkpoints","Cytosolic sensors of pathogen-associa
ted DNA","Signaling by FGFR in disease","Generic Transcription Pathway","Insulin receptor signalling cascade","p53-Dependent G1/S DNA damage checkpoint","STING mediated induction of host immune respon
ses","Signaling by FGFR1 in disease","Transcriptional Regulation by TP53","IRS-mediated signalling","p53-Dependent G1 DNA Damage Response","IRF3-mediated induction of type I IFN","FGFR1 mutant recepto
r activation","Regulation of TP53 Activity","PI3K Cascade","Stabilization of p53","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Autodegradation of the 
E3 ubiquitin ligase COP1","Regulation of TP53 Degradation"}

> <broad_targets>
{ATM,PRKDC}

> <broad_moa>
{"ATM kinase inhibitor"}

> <synonyms>
{KU-55933,KU55933,587871-26-9,587871269,"ATM Kinase Inhibitor",2-Morpholino-6-(thianthren-1-yl)-4H-pyran-4-one,2Morpholino6(thianthren1yl)4Hpyran4one,"KU 55933",2-Morpholin-4-yl-6-thianthren-1-ylpyran
-4-one,2Morpholin4yl6thianthren1ylpyran4one,2-Morpholin-4-yl-6-thianthren-1-yl-pyran-4-one,"KU-55933 (ATM Kinase Inhibitor)","KU55933 (ATM Kinase Inhibitor)",UNII-O,UNIIO,T2685,S1092,"EMD 118500","Se 
S1092",3544,118500}

> <pdid>
PD003488

> <targets>
{ATM,"ATM Inhibitors"}

> <classes>
{}

> <pubchem_cids>
{5278396}

$$$$
Broad_2021
  SciTegic11012413022D

 31 34  0  0  0  0            999 V2000
   13.8878    3.9882    0.0000 C   0  0
   12.9228    2.8399    0.0000 C   0  0
   11.4448    3.1007    0.0000 O   0  0
   10.4792    1.9517    0.0000 C   0  0
   10.9916    0.5420    0.0000 O   0  0
    9.0012    2.2125    0.0000 C   0  0
    8.0356    1.0636    0.0000 C   0  0
    6.5576    1.3244    0.0000 N   0  0
    5.5920    0.1754    0.0000 C   0  0
    4.1145    0.4339    0.0000 C   0  0
    3.1484   -0.7186    0.0000 C   0  0
    3.6667   -2.1252    0.0000 N   0  0
    5.1442   -2.3838    0.0000 C   0  0
    6.1069   -1.2335    0.0000 N   0  0
    5.6593   -3.7934    0.0000 C   0  0
    4.6985   -4.9453    0.0000 C   0  0
    5.2156   -6.3534    0.0000 C   0  0
    6.6936   -6.6096    0.0000 C   0  0
    7.6544   -5.4577    0.0000 C   0  0
    7.1373   -4.0497    0.0000 N   0  0
    1.6852   -0.3846    0.0000 N   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.4523    2.0983    0.0000 C   0  0
   -3.8856    1.6561    0.0000 C   0  0
   -4.2194    0.1937    0.0000 C   0  0
   -3.1198   -0.8265    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 11 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 29 30  1  0
 30 31  1  0
 31 21  1  0
M  END
> <name>
Broad_2021

> <id>
33739

> <plate>
Plate_1

> <well>
O15

> <supplier_cmpd_name>
GSK J4

> <ctcr_id>
8313

> <supplier_cmpd_id>
GSK J4

> <smiles>
CCOC(=O)CCNc1cc(nc(n1)c2ccccn2)N3CCc4ccccc4CC3

> <pd_targets>
{KDM5B,KDM5C,KDM6B,KDM6A}

> <pathway_gtopdb>
{"Epigenetic regulator",Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Gene expression (Transcription)","Chromatin organization","Cellular responses to external stimuli","RNA Polymerase II Transcription","Chromatin modifying enzymes","Cellular responses to stress","Gen
eric Transcription Pathway","HDMs demethylate histones","Cellular Senescence","Transcriptional regulation by the AP-2 (TFAP2) family of transcription factors","Oxidative Stress Induced Senescence","TF
AP2 (AP-2) family regulates transcription of cell cycle factors"}

> <broad_targets>
{KDM6A,KDM6B}

> <broad_moa>
{"histone lysine demethylase inhibitor"}

> <synonyms>
{SKJ,GSK-J4,GSKJ4,1373423-53-0,1373423530,"GSK J4","GSK J4 HCl","GSK-J4 free base","GSKJ4 free base","GSK-J4 HCl","GSKJ4 HCl",C24H27N5O2,"1373423-53-0 (free base)","1373423530 (free base)","1797983-09
-5 (HCl)","1797983095 (HCl)","GSK J4 hydrochloride",GTPL8979,CHEMBL3183531,SCHEMBL14931829,CHEBI:95077,BCP08261,3706AH,HY-15648B,HY15648B,MFCD22683,T3100,4594}

> <pdid>
PD003295

> <targets>
{Apoptosis,Histone Demethylase}

> <classes>
{Apoptosis,Epigenetics}

> <pubchem_cids>
{71729975}

$$$$
Broad_2021
  SciTegic11012413022D

 33 37  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.6929   -4.0817    0.0000 C   0  0
    0.3385   -5.5341    0.0000 C   0  0
    1.4233   -6.5700    0.0000 C   0  0
    2.8629   -6.1484    0.0000 C   0  0
    3.9505   -7.1827    0.0000 O   0  0
    5.3902   -6.7589    0.0000 C   0  0
    6.4787   -7.7910    0.0000 C   0  0
    7.9168   -7.3644    0.0000 C   0  0
    8.2664   -5.9057    0.0000 C   0  0
    7.1780   -4.8736    0.0000 C   0  0
    5.7399   -5.3001    0.0000 C   0  0
    3.2176   -4.6910    0.0000 C   0  0
    2.1327   -3.6551    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0
   -4.4481   -0.0574    0.0000 C   0  0
   -5.9346    0.1432    0.0000 C   0  0
   -6.8516   -1.0439    0.0000 C   0  0
   -6.2821   -2.4315    0.0000 N   0  0
   -4.7955   -2.6322    0.0000 C   0  0
   -7.1971   -3.6212    0.0000 C   0  0
   -8.6840   -3.4231    0.0000 O   0  0
   -6.6253   -5.0088    0.0000 C   0  0
   -7.5399   -6.1977    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 13 21  1  0
 21 22  2  0
 22 10  1  0
  9 23  1  0
 23  2  1  0
 23  6  2  0
  7 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
 28 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  2  0
M  END
> <name>
Broad_2021

> <id>
33740

> <plate>
Plate_1

> <well>
P15

> <supplier_cmpd_name>
Ibrutinib

> <ctcr_id>
20

> <supplier_cmpd_id>
Ibrutinib

> <smiles>
Nc1ncnc2n(nc(c3ccc(Oc4ccccc4)cc3)c12)C5CCCN(C5)C(=O)C=C

> <pd_targets>
{ITK,TEC,ERBB4,FGR,FYN,ABL1,CSK,JAK3,BLK,BTK,EGFR,BMX,ERBB2,LYN,YES1,PTK6,CYP2C8,GSC2,CYP2C19,LCK,RET,CYP3A4,FRK,HCK,SRC,CYP2B6,FGFR2,CYP2C9,FER,KCNH2,TXK,PRXL2A}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Unclassified protein",Kinase,"Cytochrome P450",Transferase,"Voltage-gated ion channel","Protein Kinase","Cytochrome P450 family 2","Cytochrome P450 family 3","Potassium channels
","TK protein kinase group","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Cytochrome P450 family 2B","Voltage-gated potassium channel","Tyrosine protein kinase Tec family","Tyrosine protein
 kinase EGFR family","Tyrosine protein kinase Src family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Csk family","Tyrosine protein kinase JakA family","Cytochrome P450 2C8","Cytochr
ome P450 2C19","Tyrosine protein kinase Ret family","Cytochrome P450 3A4","Cytochrome P450 2B6","Tyrosine protein kinase FGFR family","Cytochrome P450 2C9","Tyrosine protein kinase Fer family","Tyrosi
ne protein kinase SrcA"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Catalytic receptors","Cytochrome P450","Voltage-gated ion channels","Receptor kinases","CYP2 family: drug metabolising subset","CYP3 family","Potassium channels","TK
: Tyrosine kinase","Voltage-gated potassium channels","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Tec family","Type I RTKs: ErbB (epidermal growth factor) receptor fami
ly","Src family","Abl family","Csk family","Janus kinase (JakA) family","Type XIV RTKs: RET","Type V RTKs: FGF (fibroblast growth factor) receptor family","Fer family"}

> <pathway_reactome>
{"Immune System","Neuronal System",Disease,"Gene expression (Transcription)","Signal Transduction",Metabolism,"Developmental Biology","Cell Cycle","Muscle contraction","Adaptive Immune System","Cytoki
ne Signaling in Immune system","Transmission across Chemical Synapses","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transc
ription","Signaling by GPCR","Metabolism of lipids","Nervous system development",Mitotic,"Biological oxidations","Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases"
,"Cardiac conduction","Innate Immune System","TCR signaling","Signaling by Interleukins","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania infection","HIV Infection","Oncog
enic MAPK signaling","Generic Transcription Pathway","GPCR downstream signalling","Phospholipid metabolism","Axon guidance","Mitotic G1 phase and G1/S transition","Phase I - Functionalization of compo
unds","Biosynthesis of specialized proresolving mediators (SPMs)","PIP3 activates AKT signaling","Signaling by NTRKs","Signaling by FGFR in disease","Signaling by SCF-KIT","Phase 3 - rapid repolarisat
ion","Fc epsilon receptor (FCERI) signaling","Generation of second messenger molecules",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Activation of NMDA receptors and postsynaptic events","Leish
mania parasite growth and survival","Host Interactions of HIV factors","Parasite infection","Signaling by RAS mutants","Interleukin-2 family signaling","Transcriptional regulation by RUNX1","G alpha (
q) signalling events","PI Metabolism","Semaphorin interactions","G1 Phase","Cytochrome P450 - arranged by substrate type","RET signaling","Biosynthesis of DHA-derived SPMs","PTEN Regulation","Signalin
g by NTRK1 (TRKA)","Signaling by FGFR2 in disease","FCERI mediated Ca+2 mobilization","Post NMDA receptor activation events","Anti-inflammatory response favouring Leishmania parasite infection","The r
ole of Nef in HIV-1 replication and disease pathogenesis","Leishmania phagocytosis","Signaling downstream of RAS mutants","Interleukin-15 signaling","RUNX1 regulates transcription of genes involved in
 BCR signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Synthesis of PIPs at the plasma membrane","Sema4D in semaphorin signaling","Cyclin D associated events in G1",Xenobiotics,"Biosynthe
sis of maresins","Regulation of PTEN stability and activity","Signalling to ERKs","FGFR2 mutant receptor activation","Long-term potentiation","FCGR3A-mediated IL10 synthesis","Nef and signal transduct
ion","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","CYP2E1 reactions","Nef-mediates down modulation of cell surface receptor
s by recruiting them to clathrin adapters","Biosynthesis of maresin-like SPMs","Signalling to RAS","Activated point mutants of FGFR2","Nef Mediated CD4 Down-regulation","p38MAPK events"}

> <broad_targets>
{BLK,BMX,BTK}

> <broad_moa>
{"Bruton's tyrosine kinase (BTK) inhibitor"}

> <synonyms>
{"BRUTINIB (PCI32765","BRUTINIB (PCI 32765","PCI-32765 Racemate","PCI32765 Racemate","PCI 32765 Racemate",936563-87-0,936563870,"936563 87 0","PCI-32765 (Racemate)","PCI32765 (Racemate)","PCI 32765 (R
acemate)","Ibrutinib Racemate",S2680,ibrutinib,"Ibrutinib (PCI-32765)","PCI-32765 (Ibrutinib)"}

> <pdid>
PD003357

> <targets>
{Src,BTK}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{16126651}

$$$$
Broad_2021
  SciTegic11012413022D

 26 27  0  0  1  0            999 V2000
   13.1886   -3.6010    0.0000 Cl  0  0
    4.6388   -8.1760    0.0000 N   0  0
    3.2151   -7.7040    0.0000 C   0  0
    2.0947   -8.7014    0.0000 O   0  0
    2.9122   -6.2341    0.0000 N   0  0
    4.0312   -5.2378    0.0000 C   0  0
    5.4984   -5.5497    0.0000 C   0  0
    6.2484   -4.2507    0.0000 C   0  0
    5.2447   -3.1359    0.0000 S   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  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 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    7.7410   -4.0938    0.0000 C   0  0
    8.7076   -5.2343    0.0000 C   0  0
   10.1833   -4.9657    0.0000 C   0  0
   10.6886   -3.5534    0.0000 C   0  0
    9.7181   -2.4097    0.0000 C   0  0
   10.2234   -0.9973    0.0000 F   0  0
    8.2423   -2.6783    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10  6  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 14 13  1  6
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
  8 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 20  1  0
M  END
> <name>
Broad_2021

> <id>
33741

> <plate>
Plate_1

> <well>
A16

> <supplier_cmpd_name>
AZD 7762 hydrochloride

> <ctcr_id>
7726

> <supplier_cmpd_id>
AZD 7762 hydrochloride

> <smiles>
Cl.NC(=O)Nc1cc(sc1C(=O)N[C@H]2CCCNC2)c3cccc(F)c3

> <pd_targets>
{CHEK1,CHEK2,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","CAMK protein kinase group","Voltage-gated potassium channel","CAMK protein kinase CAMK1 family","CAMK pr
otein kinase RAD53 family","CAMK protein kinase CHK1 subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","CAMK: Calcium/calmodulin-dependent protein kinases","Potassium channels","CAMK-like (CAMKL) family","Voltage-gated potassiu
m channels","CHK1 subfamily"}

> <pathway_reactome>
{"DNA Repair","Gene expression (Transcription)","Muscle contraction","DNA Double-Strand Break Repair","RNA Polymerase II Transcription","Cardiac conduction","Homology Directed Repair","Generic Transcr
iption Pathway","Phase 3 - rapid repolarisation","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by TP53","HDR through Homologous Recombinatio
n (HRR)","Regulation of TP53 Activity","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Expression and Degradation","Presynaptic phase of homologous DNA pairing and strand exchange","R
egulation of TP53 Degradation"}

> <broad_targets>
{CHEK1,CHEK2}

> <broad_moa>
{"CHK inhibitor"}

> <synonyms>
{"AZD 7762 hydrochloride","AZD7762 HCl",1246094-78-9,1246094789,"1246094-78-9 (HCl)","1246094789 (HCl)",C17H19FN4O2S,MLS006010750,SCHEMBL19457662,BCP25387,1-(2-((S)-piperidin-3-ylcarbamoyl)-5-(3-fluor
ophenyl)thiophen-3-yl)urea,1(2((S)piperidin3ylcarbamoyl)5(3fluorophenyl)thiophen3yl)urea,AKOS024458535,SMR004701703,AZD-77,AZD77,SY-AZD7762,AZD7762}

> <pdid>
PD003297

> <targets>
{CHK}

> <classes>
{}

> <pubchem_cids>
{56972142}

$$$$
Broad_2021
  SciTegic11012413022D

 17 18  0  0  1  0            999 V2000
    3.9200   -5.8774    0.0000 O   0  0
    4.8054   -4.6666    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0  1  0  0  0
    2.7343   -2.9815    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0  1  0  0  0
    4.2566    0.5871    0.0000 O   0  0
    4.9531   -1.9978    0.0000 C   0  0  2  0  0  0
    6.4451   -1.8434    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  3  1  0
  8  9  1  6
  5 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 10  1  0
 16 17  2  0
M  END
> <name>
Broad_2021

> <id>
33742

> <plate>
Plate_1

> <well>
B16

> <supplier_cmpd_name>
Cytarabine

> <ctcr_id>
910

> <supplier_cmpd_id>
Cytarabine

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>

> <targets>
{}

> <classes>
{antineoplastic,antiviral,antimetabolite}

> <pubchem_cids>
{114682}

$$$$
Broad_2021
  SciTegic11012413022D

 27 30  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 N   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 C   0  0
   -1.2942   -8.2509    0.0000 O   0  0
    0.0036   -7.4988    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  2 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 10  1  0
 20 14  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 12 27  1  0
M  END
> <name>
Broad_2021

> <id>
33743

> <plate>
Plate_1

> <well>
C16

> <supplier_cmpd_name>
TGX 221

> <ctcr_id>
2097

> <supplier_cmpd_id>
TGX 221

> <smiles>
CC(Nc1ccccc1)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C

> <pd_targets>
{PIK3CB,CLK4,PIK3CA,PIK3CD,CSNK1A1,PTK2,PIK3CG}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","CMGC protein kinase group","CK1 protein kinase group","TK protein kinase group","CMGC protein kinase CLK family","CK1 protein kinase CK1 family","Tyrosine 
protein kinase Fak family"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Lipid modifying kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","Receptor kinases",Phosphatidylinositol
-4,"5-bisphosphate 3-kinase family","CLK family","Casein kinase 1 (CK1) family","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Fak family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Immune System",Metabolism,"Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signalin
g in Immune system","Infectious disease","Metabolism of lipids","Signaling by Insulin receptor","Signaling by FGFR in disease","Signaling by Interleukins","Signaling by WNT in cancer","Leishmania infe
ction","Phospholipid metabolism","Insulin receptor signalling cascade","Signaling by FGFR1 in disease",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Signaling by AMER1 mutants","Parasite infecti
on","PI Metabolism","IRS-mediated signalling","FGFR1 mutant receptor activation","Interleukin receptor SHC signaling","Truncations of AMER1 destabilize the destruction complex","Leishmania phagocytosi
s","Synthesis of PIPs at the plasma membrane","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{PIK3CB,PIK3CD}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{GX22,TGX-221,TGX221,663619-89-4,663619894,"Tgx 221",CHEMBL1972466,"9-(1-Anilinoethyl)-7-methyl-2-morpholin-4-ylpyrido(1,2-a)pyrimidin-4-one","9(1Anilinoethyl)7methyl2morpholin4ylpyrido(1,2a)pyrimidin
4one",Kinome_3610,Kinome3610,Kinome-3610,"Kinome 3610",PubChem22489,cc-494,cc494,MLS006010987,SCHEMBL902952,GTPL8244,CHEBI:91428,AOB3924,QCR-207,QCR207,SYN1089,BCPP000046,HMS322,T2661,S1169,"EMD 52811
3",528113,"TGX 221"}

> <pdid>
PD003688

> <targets>
{TGX221,TGX-221,"PI3K BETA","PI 3-K? Inhibitor VI"}

> <classes>
{}

> <pubchem_cids>
{9907093}

$$$$
Broad_2021
  SciTegic11012413022D

 25 28  0  0  1  0            999 V2000
    1.7140   -7.2404    0.0000 O   0  0
    1.2457   -5.8153    0.0000 C   0  0
    2.2461   -4.6976    0.0000 O   0  0
   -0.2234   -5.5086    0.0000 C   0  0  2  0  0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 N   0  0
   -0.8994   -8.0768    0.0000 C   0  0
    0.4744   -8.6791    0.0000 O   0  0
   -2.1980   -8.8260    0.0000 C   0  0
   -2.5101  -10.2931    0.0000 C   0  0
   -3.9368  -10.7564    0.0000 C   0  0
   -5.0513   -9.7525    0.0000 C   0  0
   -4.7392   -8.2853    0.0000 C   0  0
   -3.3125   -7.8221    0.0000 C   0  0
   -2.7027   -6.4525    0.0000 C   0  0
   -3.4449   -5.1490    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  1
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  6  1  0
 14  9  1  0
  4 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 23 24  1  0
 24 15  1  0
 24 25  2  0
M  END
> <name>
Broad_2021

> <id>
33744

> <plate>
Plate_1

> <well>
D16

> <supplier_cmpd_name>
RG108

> <ctcr_id>
7245

> <supplier_cmpd_id>
RG108

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

> <pd_targets>
{SSSIM,PKM,DNMT1}

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

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

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

> <broad_targets>
{DNMT1,DNMT3B}

> <broad_moa>
{"DNA methyltransferase inhibitor"}

> <synonyms>
{RG108,48208-26-0,48208260,N-Phthalyl-L-tryptophan,NPhthalylLtryptophan,RG-108,"RG 108",CHEMBL1564869,"(S)-2-(1,3-dioxoisoindolin-2-yl)-3-(1H-indol-3-yl)propanoic acid","(S)2(1,3dioxoisoindolin2yl)3(1
Hindol3yl)propanoic acid",C19H14N2O4,"(2S)-2-(1,3-dioxo-2-isoindolyl)-3-(1H-indol-3-yl)propanoic acid","(2S)2(1,3dioxo2isoindolyl)3(1Hindol3yl)propanoic acid",(S)-2-(1,(S)2(1,3-dioxoisoindolin-2-yl)-,
3dioxoisoindolin2yl),T2038,S2821}

> <pdid>
PD003628

> <targets>
{Transferases}

> <classes>
{}

> <pubchem_cids>
{702558}

$$$$
Broad_2021
  SciTegic11012413022D

 34 39  0  0  1  0            999 V2000
    2.8168    0.1000    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0  2  0  0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 N   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.4469    5.2298    0.0000 C   0  0
    2.9152    5.5365    0.0000 C   0  0
    3.6607    4.2349    0.0000 N   0  0
    2.6531    3.1237    0.0000 N   0  0
    3.5304    6.9054    0.0000 C   0  0
    3.4681    8.3217    0.0000 C   0  0
    4.7759    7.5871    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
    5.3712   -0.4376    0.0000 C   0  0
    5.6766    1.0310    0.0000 O   0  0
    6.4913   -1.4365    0.0000 N   0  0
    7.9168   -0.9668    0.0000 C   0  0
    9.0377   -1.9636    0.0000 C   0  0
   10.4614   -1.4913    0.0000 C   0  0
   10.7643   -0.0222    0.0000 C   0  0
   12.1880    0.4501    0.0000 F   0  0
    9.6434    0.9746    0.0000 N   0  0
    8.2197    0.5023    0.0000 C   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  6  7  1  0
  7  8  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  1  0
 15 11  2  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 18 16  1  0
  9 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 19  1  0
 23 24  1  0
 24  7  2  0
  2 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 31 33  1  0
 33 34  2  0
 34 28  1  0
M  END
> <name>
Broad_2021

> <id>
33745

> <plate>
Plate_1

> <well>
E16

> <supplier_cmpd_name>
BMS-754807

> <ctcr_id>
7787

> <supplier_cmpd_id>
BMS-754807

> <smiles>
C[C@@]1(CCCN1c2nc(Nc3cc([nH]n3)C4CC4)c5cccn5n2)C(=O)Nc6ccc(F)nc6

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HMS3654M06,ZINC145213336,NCGC00482864-01,NCGC0048286401,SW219953-1,SW2199531,S1124,BMS-754807}

> <pdid>
PD063338

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{124584014}

$$$$
Broad_2021
  SciTegic11012413022D

 34 38  0  0  1  0            999 V2000
   -0.1222   -1.1625    0.0000 C   0  0
    0.6654   -2.4391    0.0000 N   0  0
    0.1040   -3.8300    0.0000 C   0  0
    1.2534   -4.7938    0.0000 N   0  0
    2.5252   -3.9985    0.0000 C   0  0
    2.1477   -2.5600    0.0000 C   0  0
    3.1121   -1.4100    0.0000 C   0  0  1  0  0  0
    4.5893   -1.6705    0.0000 N   0  0
    2.5992    0.0005    0.0000 C   0  0
    3.8985    0.7500    0.0000 C   0  0
    3.8989    2.2500    0.0000 C   0  0
    2.6001    3.0005    0.0000 C   0  0
    2.6006    4.5005    0.0000 Cl  0  0
    1.3009    2.2509    0.0000 C   0  0
    1.3004    0.7509    0.0000 C   0  0
    1.6341   -1.1494    0.0000 C   0  0
    1.1211    0.2601    0.0000 C   0  0
   -0.3561    0.5206    0.0000 C   0  0
   -1.3203   -0.6285    0.0000 C   0  0
   -2.7975   -0.3680    0.0000 N   0  0
   -3.3106    1.0415    0.0000 C   0  0
   -3.7617   -1.5171    0.0000 C   0  0
   -5.2389   -1.2566    0.0000 O   0  0
   -3.2487   -2.9266    0.0000 C   0  0
   -1.7714   -3.1871    0.0000 C   0  0
   -1.2582   -4.5973    0.0000 C   0  0
   -2.2205   -5.7480    0.0000 C   0  0
   -1.7052   -7.1568    0.0000 C   0  0
   -0.2276   -7.4149    0.0000 C   0  0
    0.7348   -6.2643    0.0000 C   0  0
    2.2124   -6.5224    0.0000 Cl  0  0
    0.2195   -4.8556    0.0000 C   0  0
   -0.8073   -2.0380    0.0000 C   0  0
    0.6699   -2.2985    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  2  1  0
  6  7  1  0
  7  8  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
  7 16  1  1
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  3
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 32 26  1  0
 25 33  1  0
 33 19  1  0
 33 34  2  0
 34 16  1  0
M  END
> <name>
Broad_2021

> <id>
33746

> <plate>
Plate_1

> <well>
F16

> <supplier_cmpd_name>
Tipifarnib

> <ctcr_id>
7460

> <supplier_cmpd_id>
Tipifarnib

> <smiles>
Cn1cncc1[C@@](N)(c2ccc(Cl)cc2)c3ccc4N(C)C(=O)C=C(c5cccc(Cl)c5)c4c3

> <pd_targets>
{FNTB,FNTA,PGGT1B,CYP3A4}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Transferase,"Family A G protein-coupled receptor","Cytochrome P450","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Monoamine-derivative receptor (fam
ily A GPCR)","Cytochrome P450 family 3A","Melatonin receptor","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"2.5.1.58 Protein farnesyltransferase","Catalytic receptors","Cytochrome P450","Receptor guanylyl cyclase (RGC) family","CYP3 family","Nitric oxide (NO)-sensitive (soluble) guanylyl
 cyclase"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Signaling by GPCR","Metabolism of lipids","GPCR downstream signalling","Biosynthesis of specialized proresolving mediators (SPMs)","G alpha (i) signalling events","B
iosynthesis of DHA-derived SPMs","Visual phototransduction","Biosynthesis of maresins","The phototransduction cascade","Biosynthesis of maresin-like SPMs",Inactivation,"recovery and regulation of the 
phototransduction cascade"}

> <broad_targets>
{FNTA,FNTB}

> <broad_moa>
{"farnesyltransferase inhibitor"}

> <synonyms>
{Tipifarnib,192185-72-1,192185721,Zarnestra,R115777,R-115777,"Tipifarnib (Zarnestra)",UNII-MAT637500A,UNIIMAT637500A,MAT637500A,R-11577,R11577,"R115777;IND 58359",JAN,"Tipifarnib (USAN/INN)","Tipifarn
ib (USAN:INN)",tipifarnibum,Tipifarneb,"CCRIS 9329",NSC-702818,NSC702818,"(R)-( )-R1157","(R)( )R1157",S1453,tipifarnib-P1,Tipifarnib}

> <pdid>
PD003387

> <targets>
{Ras,Farnesyltransferase}

> <classes>
{}

> <pubchem_cids>
{159324}

$$$$
Broad_2021
  SciTegic11012413022D

 28 33  0  0  1  0            999 V2000
    2.5840   -8.2829    0.0000 O   0  0
    2.8570   -6.8080    0.0000 C   0  0
    4.2107   -6.1619    0.0000 N   0  0
    4.0146   -4.6747    0.0000 C   0  0
    5.0960   -3.6352    0.0000 O   0  0
    2.5536   -4.4230    0.0000 C   0  0  2  0  0  0
    1.8242   -5.7201    0.0000 C   0  0  2  0  0  0
    0.3349   -5.9052    0.0000 C   0  0
   -0.5693   -4.7231    0.0000 C   0  0
   -1.9763   -5.2432    0.0000 N   0  0
   -1.9162   -6.7412    0.0000 C   0  0
   -2.9899   -7.7886    0.0000 C   0  0
   -2.6197   -9.2422    0.0000 C   0  0
   -1.1758   -9.6484    0.0000 C   0  0
   -0.1020   -8.6010    0.0000 C   0  0
   -0.4722   -7.1474    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5085   -1.7165    0.0000 C   0  0
   -2.3518   -3.2083    0.0000 C   0  0
   -0.9815   -3.8184    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  1
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16  8  1  0
 16 11  1  0
  6 17  1  6
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 17  1  0
 27 28  2  0
 28 19  1  0
 28 23  1  0
M  END
> <name>
Broad_2021

> <id>
33747

> <plate>
Plate_1

> <well>
G16

> <supplier_cmpd_name>
Tivantinib

> <ctcr_id>
7627

> <supplier_cmpd_id>
Tivantinib

> <smiles>
O=C1NC(=O)[C@H]([C@@H]1c2c[nH]c3ccccc23)c4cn5CCCc6cccc4c56

> <pd_targets>
{MET}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","Semaphorin interactions","Sema4D in semaphorin signaling","Sema4D mediated inhibition of cell attachment and migration"}

> <broad_targets>
{MET}

> <broad_moa>
{"tyrosine kinase inhibitor"}

> <synonyms>
{"Tivantinib (USAN:INN)","Tivantinib; ARQ197","ARQ 197, Tivantinib",Tivantinib,905854-02-6,905854026,"ARQ 197",ARQ-197,ARQ197,UNII-PJ4H73IL17,UNIIPJ4H73IL17,"Tivantinib (ARQ 197)",PJ4H73IL17,1000873-9
8-2,1000873982,905853-99-8,905853998,"ARQ 197 (Tivantinib)","Tivantinib (ARQ-19","Tivantinib (ARQ19",T6117,A-1109,S2753,"Tivantinib | ARQ-197"}

> <pdid>
PD003457

> <targets>
{c-Met,Apoptosis,c-Met/HGFR}

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

> <pubchem_cids>
{11494412}

$$$$
Broad_2021
  SciTegic11012413022D

 42 46  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 N   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -5.2089   -5.9859    0.0000 Cl  0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -5.1977   -2.9829    0.0000 N   0  0
   -5.1903   -1.4821    0.0000 C   0  0
   -3.8861   -0.7410    0.0000 C   0  0
   -3.8758    0.7590    0.0000 C   0  0
   -5.1696    1.5179    0.0000 C   0  0
   -6.4738    0.7769    0.0000 C   0  0
   -6.4841   -0.7230    0.0000 C   0  0
   -7.7891   -1.4644    0.0000 S   0  0
   -7.7990   -2.9644    0.0000 O   0  0
   -9.0929   -2.2060    0.0000 O   0  0
   -9.0841   -0.7058    0.0000 C   0  0
  -10.3883   -1.4467    0.0000 C   0  0
   -9.0741    0.7942    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 N   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -0.0072    7.5016    0.0000 N   0  0
    1.2895    8.2559    0.0000 C   0  0
    1.2847    9.7558    0.0000 C   0  0
   -0.0167   10.5017    0.0000 N   0  0
   -0.0215   12.0017    0.0000 C   0  0
   -1.3134    9.7476    0.0000 C   0  0
   -1.3086    8.2476    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 22 23  1  0
 23 24  2  0
 23 25  2  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 15 29  2  0
 29 10  1  0
  5 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>
Broad_2021

> <id>
33748

> <plate>
Plate_1

> <well>
H16

> <supplier_cmpd_name>
NVP-TAE 684

> <ctcr_id>
5097

> <supplier_cmpd_id>
NVP-TAE 684

> <smiles>
COc1cc(ccc1Nc2ncc(Cl)c(Nc3ccccc3[S](=O)(=O)C(C)C)n2)N4CCC(CC4)N5CCN(C)CC5

> <pd_targets>
{TEK,TXK,AURKA,RIOK3,CLK2,STK17B,BMPR1A,PLK1,PRKX,CSF1R,EGFR,EPHA1,FGR,PAK4,MAP4K1,BMPR1B,BTK,DAPK3,BLK,CLK1,MAPK12,MERTK,MAP3K10,PAK2,PRKACB,KDR,LIMK1,MAP3K11,EPHB4,TEC,CSK,HIPK4,CSNK1A1L,EPHA5,EIF2A
K4,MINK1,CAMK2B,CAMK4,FLT4,MARK3,NEK3,MAP2K4,MAP3K9,NEK7,MAPK1,MAPK9,MAP3K7,PTK2,PRKCD,LRRK2,FLT1,LYN,ZAP70,INSR,KIT,FES,SIK3,CDK17,CDK16,PRKAA2,CDC42BPA,PKN2,STK25,TNIK,TNNI3K,EPHB2,PAK5,TAOK1,PTK2B,
STK10,ABL2,PTK6,TYRO3,PLK4,STK38L,STK32B,MARK1,MAST1,KARS1,ABL1,FLT3,TNK2,ULK3,IRAK1,CSNK2A2,JAK1,PAK1,MAP2K3,NEK4,BRSK1,NEK9,SRMS,MAP2K5,CDK1,RET,RPS6KA1,DMPK,MST1R,ALK,RPS6KB1,ULK1,PLK3,MAP4K2,DCLK1
,CDK5,TIE1,YES1,MAP3K4,PRKAA1,IGF1R,AURKC,NEK2,PDGFRB,BRSK2,SYK,CLK3,EPHB3,RPS6KA3,TGFBR1,LATS1,RPS6KA6,NTRK1,PIP5K1A,CDK7,MAP2K6,EPHB1,MAP4K4,PRKG1,MET,JAK2,TYK2,LCK,PDGFRA,CAMK2D,DDR2,RPS6KA2,PHKG1,
PRKCQ,MAP3K2,PLK2,INSRR,MKNK2,FGFR4,COQ8B,MAP2K2,MAPK15,SIK1,OXSR1,PRKG2,MARK4,DAPK2,LATS2,STK26,MARK2,SLK,FGFR1,FGFR3,AURKB,STK16,CDK4,MAP3K15,CHEK2,ERBB2,STK4,CAMKK2,NUAK1,SIK2,PRKD2,SNRK,HIPK1,NIM1
K,ROCK1,ITK,LIMK2,DYRK1B,CAMKK1,COQ8A,IRAK4,TAOK2,BMP2K,CILK1,MYO3B,STK32A,ERN1,CDK2,FRK,PDPK1,PRKACA,MAPK7,MAPK8,ROS1,DCLK3,FYN,DSTYK,CDPK1,CAMK2A,EPHA6,CDC42BPG,ERBB4,ACVR1,CHEK1,AXL,SRPK1,CAMK2G,SB
K3,ROCK2,TGFBR2,STK24,MAP4K3,CAMK1,PRPF4B,TNK1,ACVR1B,EPHA7,EPHB6,MAP3K13,CDC42BPB,RPS6KA4,PHKG2,ACVRL1,HCK,PAK3,CASK,EPHA2,ANKK1,EPHA4,STK17A,SBK1,ACVR2A,PRKD1,MAP2K1,WEE1,SRC,EPHA3,JAK3,STK3,MAP4K5,
STK36,FGFR2,MAP3K19,MAPK14,CDK15,CAMK1D,CAMK1G,STK39,MATK,GRK1,STK35,GRK4,LTK,PKN1,GRK5,TSSK2,DAPK1,MYLK,BMX,MELK,CLK4,STK33,TSSK1B,PRKCE,GAK,MAP3K12,HIPK2,SRPK3,TAOK3,MYO3A,IKBKE,FER,MUSK,PRKD3,DDR1,
MAPK3,TTK,PKNB,MAP3K3,PI4KB,TBK1,HUNK,ULK2,RIPK4,NTRK2,MAP3K6,STK38,PIP4K2C,NEK6,PAK6,RIPK2,DCLK2,MAPK10,DYRK1A,ACVR2B,AAK1,IRAK3,HIPK3,MAP3K1,BMPR2,GRK7,NUAK2,STK32C,EML4}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,Transferase,"Protein Kinase","TK protein kinase group","Other protein kinase group","Atypical protein kinase group","CMGC protein kinase group","CAMK protein kina
se group","TKL protein kinase group","AGC protein kinase group","STE protein kinase group","CK1 protein kinase group","Tyrosine protein kinase Tie family","Tyrosine protein kinase Tec family","Other p
rotein kinase AUR family","Atypical protein kinase RIO family","CMGC protein kinase CLK family","CAMK protein kinase DAPK family","TKL protein kinase STKR family","Other protein kinase PLK family","AG
C protein kinase PKA family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Eph family","Tyrosine protein kinase Src family","STE protein kinase 
STE20 family","CMGC protein kinase MAPK family","Tyrosine protein kinase Axl family","TKL protein kinase MLK family","Tyrosine protein kinase VEGFR family","TKL protein kinase LISK family","Tyrosine p
rotein kinase Csk family","CMGC protein kinase DYRK family","CK1 protein kinase CK1 family","Other protein kinase PEK family","CAMK protein kinase CAMK2 family","CAMK protein kinase CAMK1 family","Oth
er protein kinase NEK family","STE protein kinase STE7 family","Tyrosine protein kinase Fak family","AGC protein kinase PKC family","TKL protein kinase LRRK family","Tyrosine protein kinase Syk family
","Tyrosine protein kinase InsR family","Tyrosine protein kinase Fer family","CMGC protein kinase CDK family","AGC protein kinase DMPK family","AGC protein kinase PKN family","Tyrosine protein kinase 
Abl family","AGC protein kinase NDR family","AGC protein kinase YANK family","AGC protein kinase MAST family","Tyrosine protein kinase Ack family","Other protein kinase ULK family","TKL protein kinase
 IRAK family","Other protein kinase CK2 family","Tyrosine protein kinase JakA family","Tyrosine protein kinase Ret family","AGC protein kinase RSK family","Tyrosine protein kinase Met family","CAMK pr
otein kinase DCAMK1 family","STE protein kinase STE11 family","Tyrosine protein kinase Trk family","AGC protein kinase PKG family","Tyrosine protein kinase DDR family","CAMK protein kinase PHk family"
,"CAMK protein kinase MAPKAPK family","Tyrosine protein kinase FGFR family","Atypical protein kinase ABC1 family","Other protein kinase NAK family","CAMK protein kinase RAD53 family","Other protein ki
nase CAMKK family","CAMK protein kinase PKD family","CMGC protein kinase RCK family","AGC protein kinase PDK1 subfamily","Tyrosine protein kinase Sev family","CMGC protein kinase SRPK family","Other p
rotein kinase NKF1 family","TKL protein kinase RIPK family","Other protein kinase WEE family","AGC protein kinase GRK family","Other protein kinase NKF4 family","Tyrosine protein kinase Alk family","C
AMK protein kinase TSSK family","CAMK protein kinase MLCK family","CAMK protein kinase unique family","Tyrosine protein kinase Musk family","Other protein kinase TTK family","Other protein kinase IKK 
family","Atypical protein kinase RIO3 subfamily","TKL protein kinase STKR Type 1 subfamily","STE protein kinase PAKB subfamily","STE protein kinase KHS subfamily","CMGC protein kinase p38 subfamily","
TKL protein kinase MLK subfamily","STE protein kinase PAKA subfamily","TKL protein kinase LIMK subfamily","CMGC protein kinase HIPK subfamily","CK1 protein kinase CK1-a","Other protein kinase GCN2 sub
family","STE protein kinase MSN subfamily","CAMK protein kinase MARK subfamily","Other protein kinase Nek1","CMGC protein kinase ERK1","CMGC protein kinase JNK subfamily","TKL protein kinase TAK1 subf
amily","AGC protein kinase PKC delta subfamily","CAMK protein kinase QIK subfamily","CMGC protein kinase PCTAIRE","CMGC protein kinase TAIRE subfamily","CAMK protein kinase AMPK subfamily","AGC protei
n kinase GEK subfamily","STE protein kinase YSK subfamily","TKL protein kinase HH498 subfamily","STE protein kinase TAO subfamily","STE protein kinase SLK subfamily","CAMK protein kinase BRSK subfamil
y","Tyrosine protein kinase Srm","CMGC protein kinase CDC2 subfamily","AGC protein kinase RSK subfamily","AGC protein kinase p70 subfamily","CMGC protein kinase CDK5 subfamily","CMGC protein kinase CD
K7 subfamily","STE protein kinase MEKK2","Other protein kinase PLK2","CAMK protein kinase MNK subfamily","Atypical protein kinase ABC1-A subfamily","STE protein kinase FRAY subfamily","STE protein kin
ase ASK","STE protein kinase MST subfamily","Other protein kinase Meta subfamily","CAMK protein kinase NuaK subfamily","CAMK protein kinase NIM1 subfamily","AGC protein kinase ROCK subfamily","CMGC pr
otein kinase Dyrk1 subfamily","CMGC protein kinase MAK","STE protein kinase NinaC subfamily","CMGC protein kinase ERK5","Tyrosine protein kinase SrcA","TKL protein kinase STKR1","CAMK protein kinase C
HK1 subfamily","TKL protein kinase STKR Type 2 subfamily","TKL protein kinase LZK subfamily","AGC protein kinase MSK subfamily","CMGC protein kinase PFTAIRE","AGC protein kinase GRK subfamily","CAMK p
rotein kinase MELK subfamily","AGC protein kinase PKC eta subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","AGC: C
ontaining PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CK1: Casein kinase 1","Lipid modifying kinases","TK: Tyrosine kinase","Other protein kinases","R
IO family","CLK family","Death-associated kinase (DAPK) family","TKL: Tyrosine kinase-like","Protein kinase A (PKA) family","STE20 family","Mitogen-activated protein kinases (MAP kinases)","Dual-speci
ficity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Casein kinase 1 (CK1) family","CAMK2 family","CAMK1 family","CAMK-like (CAMKL) family","STE7 family","Protein kinase C (PKC) family
","Cyclin-dependent kinase (CDK) family","DMPK family","Protein kinase N (PKN) family","NDR family","YANK family","MAST family","RSK family","DCAMKL family","STE11 family","Type I PIP kinases (1-phosp
hatidylinositol-4-phosphate 5-kinase family)","Protein kinase G (PKG) family","Phosphorylase kinase (PHK) family","MAPK-Activated Protein Kinase (MAPKAPK) family","ABC1 family","Protein kinase D (PKD)
 family","RCK family","PDK1 family","SRPK family","CASK family","G protein-coupled receptor kinases (GRKs)","Testis specific kinase (TSSK) family","Myosin Light Chain Kinase (MLCK) family","CAMK-uniqu
e family","1-phosphatidylinositol 4-kinase family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)"
,"Aurora kinase (Aur) family","RIO3 subfamily","Receptor serine/threonine kinase (RSTK) family","Polo-like kinase (PLK) family","PAKB subfamily","KHS subfamily","p38 subfamily","Mixed Lineage Kinase (
MLK) family","PAKA subfamily","LIM domain kinase (LISK) family","HIPK subfamily","PEK family","MSN subfamily","MARK subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","ERK subfam
ily","JNK subfamily","Delta subfamily","Leucine-rich repeat kinase (LRRK) family","QIK subfamily","TAIRE subfamily","AMPK subfamily","GEK subfamily","YSK subfamily","TAO subfamily","SLK subfamily","Un
c-51-like kinase (ULK) family","Interleukin-1 receptor-associated kinase (IRAK) family","Casein kinase 2 (CK2) family","BRSK subfamily","CDK1 subfamily","RSK subfamily","p70 subfamily","CDK5 subfamily
","CDK7 subfamily","MKN subfamily","ABC1-B subfamily","Erk7 subfamily","FRAY subfamily","NAK family","CDK4 subfamily","CHK1 subfamily","MST subfamily","CAMKK family","NuaK subfamily","SNRK subfamily",
"NIM1 subfamily","Rho kinase","Dyrk1 subfamily","Numb-associated kinase (NAK) family","NinaC subfamily","IRE family","Other-unique family","NKF1 family","PRP4 subfamily","MSK subfamily","Receptor inte
racting protein kinase (RIPK) family","WEE family","STE20 subfamily","Opsin/rhodopsin kinases","NKF4 family","GRK4 subfamily","MELK subfamily","Eta subfamily","IKK family","TTK family","HUNK subfamily
","Type XII RTKs: TIE family of angiopoietin receptors","Tec family","Type I receptor serine/threonine kinases","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I RTKs: ErbB (epidermal gro
wth factor) receptor family","Type XIII RTKs: Ephrin receptor family","Src family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","MLK subfamily","Type IV RTKs: VEGF (vascular endothel
ial growth factor) receptor family","LIMK subfamily","Csk family","GCN2 subfamily","TAK1 subfamily","Fak family","Syk family","Type II RTKs: Insulin receptor family","Fer family","HH498 subfamily","Ab
l family","Ack family","Janus kinase (JakA) family","Type XIV RTKs: RET","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family",
"Type VII RTKs: Neurotrophin receptor/Trk family","Type XVI RTKs: DDR (collagen receptor) family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Meta subfamily","Type XVII RTKs: ROS re
ceptors","Type II receptor serine/threonine kinases","LZK subfamily","Type IX RTKs: MuSK"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Gene expression (Transcription)","Metabolism of RNA","Cell Cycle",Disease,"Developmental Biology","Programmed Cell Death",Hemostasis,"Cellular responses to exte
rnal stimuli","Neuronal System","Metabolism of proteins","Muscle contraction",Autophagy,Metabolism,"Extracellular matrix organization","Circadian Clock","Organelle biogenesis and maintenance","DNA Rep
air","Vesicle-mediated transport","MAPK family signaling cascades","Innate Immune System","RNA Polymerase II Transcription","rRNA processing","Signaling by TGFB family members",Mitotic,"Infectious dis
ease","Signaling by GPCR","Nervous system development",Apoptosis,"Signaling by Receptor Tyrosine Kinases","Cell surface interactions at the vascular wall","Intracellular signaling by second messengers
","Diseases of signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Immune system","Cellular responses to stress","Transmission across Chemical Synapses","Disor
ders of Developmental Biology","Signaling by Non-Receptor Tyrosine Kinases","Adaptive Immune System","Signaling by Rho GTPases",Translation,"Signaling by Hedgehog","Cardiac conduction","MTOR signallin
g",Macroautophagy,"Signaling by Hippo","Metabolism of lipids","Platelet homeostasis","Non-integrin membrane-ECM interactions","Metabolism of carbohydrates","Cilium Assembly","Unfolded Protein Response
 (UPR)","DNA Double-Strand Break Repair","Signaling by NODAL","Cell Cycle Checkpoints","Membrane Trafficking","ECM proteoglycans","MAPK1/MAPK3 signaling","Fc epsilon receptor (FCERI) signaling","Gener
ic Transcription Pathway","rRNA processing in the nucleus and cytosol","Signaling by BMP","Mitotic G2-G2/M phases","Leishmania infection","GPCR downstream signalling","Axon guidance","Caspase activati
on via extrinsic apoptotic signalling pathway","Signaling by NTRKs","HIV Infection","DAG and IP3 signaling","Signaling by VEGF","Oncogenic MAPK signaling","Signaling by Interleukins","Response of EIF2
AK4 (GCN2) to amino acid deficiency","Cellular Senescence","Neurotransmitter receptors and postsynaptic signal transmission","Disorders of Nervous System Development","Toll-like Receptor Cascades","M 
Phase","Signaling by PTK6","TCR signaling","PIP3 activates AKT signaling","Signaling by KIT in disease","RHO GTPase Effectors","Neutrophil degranulation","Mitotic G1 phase and G1/S transition","tRNA A
minoacylation","Signaling by Insulin receptor","Hedgehog 'on' state","Interferon Signaling","Regulation of mitotic cell cycle","Ion homeostasis","Signaling by MST1","mTORC1-mediated signalling","Selec
tive autophagy","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Signaling by TGF-beta Receptor Complex in Cancer","Phospholipid metabolism","Nitric oxide stimulates guanylate cycl
ase","Signaling by PDGFR in disease","Glycogen metabolism","Signaling by FGFR","Anchoring of the basal body to the plasma membrane","Apoptotic execution phase","Signaling by FGFR in disease","Sphingol
ipid metabolism","IRE1alpha activates chaperones","Homology Directed Repair","Regulation of signaling by NODAL","G2/M Checkpoints","Signaling by ERBB2","Fcgamma receptor (FCGR) dependent phagocytosis"
,"trans-Golgi Network Vesicle Budding","Signaling by SCF-KIT","Clathrin-mediated endocytosis","RAF/MAP kinase cascade","FCERI mediated Ca+2 mobilization","Transcriptional Regulation by TP53","Major pa
thway of rRNA processing in the nucleolus and cytosol","G2/M Transition","Leishmania parasite growth and survival","Transcriptional Regulation by VENTX","G alpha (q) signalling events","EPH-Ephrin sig
naling","Signaling by ROBO receptors","Parasite infection","Caspase activation via Dependence Receptors in the absence of ligand","Transcriptional regulation by RUNX1","Signaling by NTRK1 (TRKA)","Hos
t Interactions of HIV factors","CaM pathway","VEGFA-VEGFR2 Pathway","Semaphorin interactions","Signaling by RAS mutants",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Oxidative Stress Induced Se
nescence","Activation of NMDA receptors and postsynaptic events","Pervasive developmental disorders","VEGF ligand-receptor interactions","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Prophase","Toll 
Like Receptor 4 (TLR4) Cascade","PTK6 promotes HIF1A stabilization","Generation of second messenger molecules","Negative regulation of the PI3K/AKT network","Drug resistance of KIT mutants","RHO GTPas
es activate PKNs","Mitotic Metaphase and Anaphase","Interleukin-2 family signaling","G1 Phase","Cytosolic tRNA aminoacylation","Insulin receptor signalling cascade","Antiviral mechanism by IFN-stimula
ted genes","PTK6 Down-Regulation","APC/C-mediated degradation of cell cycle proteins","RET signaling",Mitophagy,"IGF1R signaling cascade","Loss of Function of SMAD2/3 in Cancer","PI Metabolism","HIV L
ife Cycle","cGMP effects","Interferon alpha/beta signaling","Drug resistance of PDGFR mutants","Glycogen breakdown (glycogenolysis)","G alpha (i) signalling events","Signaling by FGFR4","Apoptotic cle
avage of cellular proteins","Signaling by FGFR1 in disease","Signaling by FGFR3 in disease","Sphingolipid de novo biosynthesis","Toll Like Receptor 2 (TLR2) Cascade","PTEN Regulation","HDR through Hom
ologous Recombination (HRR) or Single Strand Annealing (SSA)","L1CAM interactions","G2/M DNA damage checkpoint","Signaling by FGFR2 in disease","Downregulation of ERBB2 signaling","RHO GTPases activat
e PAKs","Role of phospholipids in phagocytosis","Golgi Associated Vesicle Biogenesis","Interleukin-1 family signaling","G0 and Early G1","Cargo recognition for clathrin-mediated endocytosis","Regulati
on of TP53 Activity","Centrosome maturation","Anti-inflammatory response favouring Leishmania parasite infection","Gastrin-CREB signalling pathway via PKC and MAPK","EPHA-mediated growth cone collapse
","Activation of RAC1","Leishmania phagocytosis","RUNX1 regulates transcription of genes involved in BCR signaling","Signalling to ERKs","The role of Nef in HIV-1 replication and disease pathogenesis"
,"Calmodulin induced events","VEGFR2 mediated cell proliferation","Sema4D in semaphorin signaling","Signaling downstream of RAS mutants","EPHB-mediated forward signaling","Post NMDA receptor activatio
n events","Loss of function of MECP2 in Rett syndrome","VEGF binds to VEGFR leading to receptor dimerization","MyD88 cascade initiated on plasma membrane","Nuclear Envelope Breakdown","MyD88-independe
nt TLR4 cascade",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Dasatinib-resistant KIT mutants","CRMPs in Sema3A signaling","Mitotic Anaphase","Interleukin-2 signaling","Role of ABL in ROBO-SLIT s
ignaling","Cyclin D associated events in G1","IRS-mediated signalling","ISG15 antiviral mechanism","Signalling to ERK5","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","
Receptor Mediated Mitophagy","IRS-related events triggered by IGF1R","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Synthesis of PIPs at the plasma membrane","Late Phase of HIV Life Cycle","Regula
tion of IFNA signaling","Imatinib-resistant PDGFR mutants","Visual phototransduction","Downstream signaling of activated FGFR4","RAS processing","FGFR1 mutant receptor activation","Signaling by FGFR3 
point mutants in cancer","Toll Like Receptor TLR6:TLR2 Cascade","Regulation of PTEN stability and activity","HDR through Homologous Recombination (HRR)","Recycling pathway of L1","Ephrin signaling","A
ssembly and cell surface presentation of NMDA receptors","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","Interleukin-15 signaling","FGFR2 mutant receptor activation","Activated PKN1 
stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Interleukin-1 signaling","Synthesis of PIPs at the Golgi membrane","Activation of TRKA receptors","Regulation of TP53
 Activity through Phosphorylation","Loss of proteins required for interphase microtubule organization from the centrosome","ADORA2B mediated anti-inflammatory cytokines production","EGFR Transactivati
on by Gastrin","FCGR3A-mediated IL10 synthesis","FCGR3A-mediated phagocytosis","Signalling to RAS","Nef and signal transduction","PKA-mediated phosphorylation of CREB","Sema4D induced cell migration a
nd growth-cone collapse","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Loss of phosphorylation of MECP2 at T308","MAP kinase activation","Activation of NIMA Kinas
es NEK9",NEK6,NEK7,"TRIF(TICAM1)-mediated TLR4 signaling","Separation of Sister Chromatids","PI3K Cascade","APC/C:Cdc20 mediated degradation of mitotic proteins","Prolonged ERK activation events","Tra
nscription of the HIV genome","Regulation of TP53 Activity through Acetylation","Sema4D mediated inhibition of cell attachment and migration","Nef-mediates down modulation of cell surface receptors by
 recruiting them to clathrin adapters","The phototransduction cascade","CD163 mediating an anti-inflammatory response","FRS-mediated FGFR4 signaling","Signaling by activated point mutants of FGFR1","F
GFR3 mutant receptor activation","Regulation of TP53 Expression and Degradation","Activation of AMPK downstream of NMDARs","Activation of RAC1 downstream of NMDARs","MyD88:MAL(TIRAP) cascade initiated
 on plasma membrane","Long-term potentiation","Homologous DNA Pairing and Strand Exchange","Activated point mutants of FGFR2","NGF-independant TRKA activation","Loss of Nlp from mitotic centrosomes","
p38MAPK events","PKA activation","Ras activation upon Ca2+ influx through NMDA receptor","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","MAPK targets/ Nuclear e
vents mediated by MAP kinases","TRAF6-mediated induction of TAK1 complex within TLR4 complex","activated TAK1 mediates p38 MAPK activation","APC:Cdc20 mediated degradation of cell cycle proteins prior
 to satisfation of the cell cycle checkpoint","RSK activation","ARMS-mediated activation","HIV Transcription Elongation","PI5P Regulates TP53 Acetylation","Nef Mediated CD4 Down-regulation",Inactivati
on,"recovery and regulation of the phototransduction cascade","Frs2-mediated activation","Signaling by activated point mutants of FGFR3","Regulation of TP53 Degradation","Presynaptic phase of homologo
us DNA pairing and strand exchange","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","ERK/MAPK targets","Activation of the AP-1 family of transcription factors","Cdc20:Phospho-APC/C mediated deg
radation of Cyclin A","CREB phosphorylation","APC-Cdc20 mediated degradation of Nek2A","Tat-mediated elongation of the HIV-1 transcript","ERKs are inactivated","Formation of HIV-1 elongation complex c
ontaining HIV-1 Tat"}

> <broad_targets>
{ALK,INSR}

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

> <synonyms>
{761439-42-3,761439423,NVP-TAE684,NVPTAE684,TAE684,"NVP-TAE 684","NVPTAE 684",TAE-684,"TAE684 (NVP-TAE684)","TAE684 (NVPTAE684)","TAE 684",UNII-EH1713MN4K,UNIIEH1713MN4K,CHEMBL509032,EH1713MN4K,C30H40
ClN7O3S,NVT-TAE-684,NVTTAE684,GUI,Kinome_1205,Kinome1205,Kinome-1205,"Kinome 1205",PubChem16769,cc-17,cc17,MLS006010970,"NVP TAE 684",NVP-TAE684/,NVPTAE684/,SCHEMBL282775,GTPL,T2251,S1108,"NVP TAE684"
}

> <pdid>
PD003442

> <targets>
{ALK}

> <classes>
{}

> <pubchem_cids>
{16038120}

$$$$
Broad_2021
  SciTegic11012413022D

 26 27  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 N   0  0
  -13.0003    1.4796    0.0000 C   0  0
  -13.0060    2.9804    0.0000 N   0  0
  -14.3081    3.7267    0.0000 C   0  0
  -15.6095    4.4726    0.0000 N   0  0
  -14.2989    0.7273    0.0000 N   0  0
  -15.6002    1.4750    0.0000 C   0  0
  -16.8993    0.7251    0.0000 C   0  0
  -18.1984    1.4750    0.0000 C   0  0
  -18.1984    2.9750    0.0000 N   0  0
  -16.8994    3.7251    0.0000 C   0  0
  -15.6003    2.9751    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  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  1  0
 16 17  3  0
 14 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
  5 25  1  0
 25 26  2  0
 26  2  1  0
M  END
> <name>
Broad_2021

> <id>
33749

> <plate>
Plate_1

> <well>
I16

> <supplier_cmpd_name>
CHS-828

> <ctcr_id>
8252

> <supplier_cmpd_id>
CHS-828

> <smiles>
Clc1ccc(OCCCCCCN=C(NC#N)Nc2ccncc2)cc1

> <pd_targets>
{NAMPT,CYP2D6,CYP2C19,CYP2C9,CYP3A4}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450","Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 2D","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Cytochrome P450 2D6","Cytochrome P4
50 2C19","Cytochrome P450 2C9","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset","CYP3 family"}

> <pathway_reactome>
{Metabolism,"Metabolism of vitamins and cofactors","Biological oxidations","Metabolism of lipids","Metabolism of water-soluble vitamins and cofactors","Phase I - Functionalization of compounds","Biosy
nthesis of specialized proresolving mediators (SPMs)","Nicotinate metabolism","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Nicotinamide salvaging",Xenobiotics,"Bi
osynthesis of maresins","CYP2E1 reactions","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CHS-828,GMX1778,"CHS 828",CHS828,"GMX 1778",UNII-8LAP87DNSZ,GMX-1778,"GMX1778 (CHS828)",GMX1778(CHS-828),8LAP87DNSZ,2-(6-(4-chlorophenoxy)hexyl)-1-cyano-3-pyridin-4-ylguanidine,"Guanidine, N-(6-(4-ch
lorophenoxy)hexyl)-N'-cyano-N''-4-pyridinyl-",CHEMBL17289,1-(6-(4-chlorophenoxy)hexyl)-2-cyano-3-(pyridin-4-yl)guanidine,N-(6-(4-Chlorophenoxy)hexyl)-N'-cyano-N''-4-pyridinylguanidine,N-Cyano-N'-(6-(p
-chlorophenoxy)hexyl)-N-(4-pyridyl)guanidine,(E)-1-(6-(4-chlorophenoxy)hexyl)-2-cyano-3-(pyridin-4-yl)guanidine,SCHEMBL504150,SCHEMBL12083293,SCHEMBL16312347,BDBM81396,CHEBI:95016,DTXSID20942059,EX-A7
13,BCP15158,"GMX1778? CHS-828",3544AH,BDBM50435350,MFCD03700766,s8117,ZINC13282570,AKOS026750302,AKOS028109359,AKOS032960393,"CHS-828; GMX-1778",N''-(6-(4-Chlorophenoxy)hexyl)-N-cyano-N'-pyridin-4(1H)
-ylideneguanidine,CCG-268319,CS-3852,DB12980,NCGC00345782-01,AC-32882,AK198948,AS-71873,HY-10079,FT-0700257,A12515,J-012977,BRD-K47335880-001-01-3,Q27166775,1-(6-(4-Chlorophenoxy)hexyl)-3-cyano-2-pyri
din-4-ylguanidine,N'-(6-(4-chlorophenoxy)hexyl)-N-cyano-N''-(pyridin-4-yl)guanidine,N-(6-(4-chlorophenoxy)-hexyl)-N'-cyano-N''-(4-pyridyl)-guanidine,"N-(6-(4-chlorophenoxy)hexyl)-N'-cyano-N''-4-pyridy
l guanidine",11021}

> <pdid>
PD003648

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{148198}

$$$$
Broad_2021
  SciTegic11012413022D

 37 40  0  0  0  0            999 V2000
    6.4894   -3.7601    0.0000 C   0  0
    6.4889   -5.2601    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4833   -9.7648    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.6012    3.0008    0.0000 N   0  0
   -3.9020    3.7494    0.0000 C   0  0
   -4.0450    5.2297    0.0000 C   0  0
   -5.5133    5.5365    0.0000 C   0  0
   -6.1303    6.9018    0.0000 C   0  0
   -7.6237    7.0513    0.0000 C   0  0
   -8.4990    5.8332    0.0000 O   0  0
   -8.2418    8.4190    0.0000 N   0  0
   -9.7351    8.5685    0.0000 C   0  0
  -10.3548    9.9345    0.0000 C   0  0
  -11.8477   10.0809    0.0000 C   0  0
  -12.7209    8.8613    0.0000 C   0  0
  -12.1013    7.4953    0.0000 C   0  0
  -12.9745    6.2756    0.0000 F   0  0
  -10.6084    7.3488    0.0000 C   0  0
   -6.2588    4.2348    0.0000 N   0  0
   -5.2512    3.1236    0.0000 N   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  3  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 24  1  0
 19 31  1  0
 31 32  1  0
 32 17  2  0
 15 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 14  1  0
 36 37  2  0
 37 11  1  0
M  END
> <name>
Broad_2021

> <id>
33750

> <plate>
Plate_1

> <well>
J16

> <supplier_cmpd_name>
Barasertib

> <ctcr_id>
5723

> <supplier_cmpd_id>
Barasertib

> <smiles>
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1

> <pd_targets>
{MAP2K2,ABL1,KIT,RET,FLT1,CHEK2,ERBB4,CDK13,EGFR,LYN,CDK16,KDR,AURKA,FLT3,MAP3K20,CDK11B,MUSK,IRAK3,SRMS,STK36,AURKB,AURKC,AXL,BLK,ERBB2,LTK,PAK1,LCK,PDGFRB,RPS6KB1,CDK11A,PDGFRA,TEK,CIT,AAK1,YES1,MAP
3K7,BTK,TNIK,PLK4,HCK,RIPK2,DSTYK,CSK,FLT4,MET,MKNK2,TTK,CSF1R,CDK7,MAP2K1,ANKK1,STK10,CDKL2,HIPK3,EIF2AK1,HIPK2,TIE1,MAP4K4,MAP4K5,MAP3K19,DDR1,HIPK4,TUBA1A,EPHB6,MAP4K2,MAP2K5,CSNK1D,DDR2,MST1R,ZAP7
0}

> <pathway_gtopdb>
{Enzyme,"Structural protein","Unclassified protein",Kinase,"Protein Kinase","STE protein kinase group","TK protein kinase group","CAMK protein kinase group","CMGC protein kinase group","Other protein 
kinase group","TKL protein kinase group","AGC protein kinase group","CK1 protein kinase group","STE protein kinase STE7 family","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR fami
ly","Tyrosine protein kinase Ret family","Tyrosine protein kinase VEGFR family","CAMK protein kinase RAD53 family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","CMGC prot
ein kinase CDK family","Other protein kinase AUR family","TKL protein kinase MLK family","Tyrosine protein kinase Musk family","TKL protein kinase IRAK family","Other protein kinase ULK family","Tyros
ine protein kinase Axl family","Tyrosine protein kinase Alk family","STE protein kinase STE20 family","AGC protein kinase RSK family","Tyrosine protein kinase Tie family","AGC protein kinase DMPK fami
ly","Other protein kinase NAK family","Tyrosine protein kinase Tec family","Other protein kinase PLK family","TKL protein kinase RIPK family","Tyrosine protein kinase Csk family","Tyrosine protein kin
ase Met family","CAMK protein kinase MAPKAPK family","Other protein kinase TTK family","CMGC protein kinase CDKL family","CMGC protein kinase DYRK family","Other protein kinase PEK family","STE protei
n kinase STE11 family","Tyrosine protein kinase DDR family","CK1 protein kinase CK1 family","Tyrosine protein kinase Syk family","CMGC protein kinase TAIRE subfamily","TKL protein kinase MLK subfamily
","CMGC protein kinase PITSLRE subfamily","Tyrosine protein kinase Srm","STE protein kinase PAKA subfamily","AGC protein kinase p70 subfamily","AGC protein kinase CRIK subfamily","TKL protein kinase T
AK1 subfamily","STE protein kinase MSN subfamily","CAMK protein kinase MNK subfamily","CMGC protein kinase CDK7 subfamily","STE protein kinase SLK subfamily","CMGC protein kinase HIPK subfamily","Othe
r protein kinase HRI","STE protein kinase KHS subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Kinases (EC 2.7.x.x)","Catalytic receptors",Tubulins,"STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Receptor kinases","CAMK: Calcium/
calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase 1","STE7 family","TK: Tyrosine kinase","CAMK-like (CA
MKL) family","Cyclin-dependent kinase (CDK) family","Other protein kinases","TKL: Tyrosine kinase-like","STE20 family","RSK family","DMPK family","MAPK-Activated Protein Kinase (MAPKAPK) family","Cycl
in-dependent kinase-like (CDKL) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Casein kinase 1 (CK1) family","Non-receptor tyrosine kinases (nRTKs)","Receptor 
tyrosine kinases (RTKs)","CHK1 subfamily","CRK7 subfamily","TAIRE subfamily","Aurora kinase (Aur) family","Mixed Lineage Kinase (MLK) family","PITSLRE subfamily","Interleukin-1 receptor-associated kin
ase (IRAK) family","Unc-51-like kinase (ULK) family","PAKA subfamily","p70 subfamily","Other DMPK family kinases","NAK family","MSN subfamily","Polo-like kinase (PLK) family","Receptor interacting pro
tein kinase (RIPK) family","Other-unique family","MKN subfamily","TTK family","CDK7 subfamily","SLK subfamily","HIPK subfamily","PEK family","KHS subfamily","STE20 subfamily","Abl family","Type III RT
Ks: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family",
"Src family","MLK subfamily","Type IX RTKs: MuSK","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XII RTKs: TIE fa
mily of angiopoietin receptors","TAK1 subfamily","Tec family","Csk family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Other PEK family kinases","Type XVI RTKs: DDR (collagen recept
or) family","Type XIII RTKs: Ephrin receptor family","Syk family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Developmental Biology","Gene expression (Transcription)","Neuronal System","Cell Cycle","Extracellular matrix organization","Immune System","Vesicle-mediated transport"
,"Cellular responses to external stimuli","Signaling by Receptor Tyrosine Kinases","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","Nervous syst
em development","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Signaling by GPCR",Mitotic,"ECM proteoglycans","Innate Immune System","Signaling by Non-Receptor Tyrosine Kin
ases","Intracellular signaling by second messengers","MTOR signalling","MAPK family signaling cascades","Signaling by Rho GTPases","Membrane Trafficking","Cellular responses to stress","Non-integrin m
embrane-ECM interactions","Adaptive Immune System","Signaling by NTRKs","Leishmania infection","Signaling by KIT in disease","Axon guidance","Signaling by VEGF","Generic Transcription Pathway","Neurot
ransmitter receptors and postsynaptic signal transmission","GPCR downstream signalling","Signaling by Insulin receptor","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","Signaling by PTK6","M Ph
ase","HIV Infection","PIP3 activates AKT signaling","mTORC1-mediated signalling","Signaling by PDGFR in disease","MAPK1/MAPK3 signaling","RHO GTPase Effectors","Clathrin-mediated endocytosis","Cellula
r Senescence","Oncogenic MAPK signaling","Neutrophil degranulation","Response of EIF2AK1 (HRI) to heme deficiency","Signaling by MST1","TCR signaling","Signaling by NTRK1 (TRKA)","Parasite infection",
"Drug resistance of KIT mutants","RET signaling","VEGF ligand-receptor interactions","Transcriptional Regulation by TP53","Activation of NMDA receptors and postsynaptic events","G alpha (q) signalling
 events","Leishmania parasite growth and survival","VEGFA-VEGFR2 Pathway","Insulin receptor signalling cascade","G2/M Transition","Toll Like Receptor 2 (TLR2) Cascade","PTK6 Down-Regulation","Mitotic 
Metaphase and Anaphase","Transcriptional regulation by RUNX1","Semaphorin interactions","EPH-Ephrin signaling","Host Interactions of HIV factors","Negative regulation of the PI3K/AKT network","Drug re
sistance of PDGFR mutants","RAF/MAP kinase cascade","RHO GTPases activate CIT","Cargo recognition for clathrin-mediated endocytosis","Toll Like Receptor 4 (TLR4) Cascade","Oxidative Stress Induced Sen
escence","Toll Like Receptor 5 (TLR5) Cascade","Signaling by RAS mutants","Transcriptional Regulation by VENTX","HIV Life Cycle","Generation of second messenger molecules","Signalling to ERKs","Leishm
ania phagocytosis","Dasatinib-resistant KIT mutants","VEGF binds to VEGFR leading to receptor dimerization","Regulation of TP53 Activity","Post NMDA receptor activation events","TP53 Regulates Transcr
iption of DNA Repair Genes","Gastrin-CREB signalling pathway via PKC and MAPK","Anti-inflammatory response favouring Leishmania parasite infection","VEGFR2 mediated cell proliferation","IRS-mediated s
ignalling","Centrosome maturation","Toll Like Receptor TLR6:TLR2 Cascade","Mitotic Anaphase","RUNX1 regulates transcription of genes involved in BCR signaling","Sema4D in semaphorin signaling","EPHB-m
ediated forward signaling","The role of Nef in HIV-1 replication and disease pathogenesis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Imatinib-resistant PDGFR mutants","MyD88-independent TLR4 c
ascade","MyD88 cascade initiated on plasma membrane","Signaling downstream of RAS mutants","Late Phase of HIV Life Cycle","Signalling to ERK5","Prolonged ERK activation events","FCGR3A-mediated phagoc
ytosis","Regulation of TP53 Expression and Degradation","Long-term potentiation","EGFR Transactivation by Gastrin","FCGR3A-mediated IL10 synthesis","Regulation of TP53 Activity through Phosphorylation
","PI3K Cascade","Recruitment of mitotic centrosome proteins and complexes","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Separation of Sister Chromatids","Sema4D induced cell migration and
 growth-cone collapse","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","TRIF(TICAM1)-mediated TLR4 signaling","Loss of proteins required for interphase
 microtubule organization from the centrosome","Nef and signal transduction","MAP kinase activation","Sema4D mediated inhibition of cell attachment and migration","Transcription of the HIV genome","Fr
s2-mediated activation","Regulation of TP53 Degradation","Nef Mediated CD4 Down-regulation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Loss of Nlp from mitotic centrosomes","activ
ated TAK1 mediates p38 MAPK activation","HIV Transcription Elongation","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NSC799356,s1147,ZINC16697102,AKOS025404840,BDBM50466808,MFCD10687152,NSC757444,722544-51-6,722544516,AZD1152-HQPA,AZD1152HQPA,AZD-1152HQPA,"Barasertib (AZD1152-HQPA)","Barasertib (AZD1152HQPA)",baras
ertib-hQPA,barasertibhQPA,UNII-29P8LWS24N,UNII29P8LWS24N,AZD-1152-HQPA,"INH 34","AZD1152 HPQA",29P8LWS24N,CHEMBL215152,INH-34,INH34,Bar,T2602,S1147,Barasertib,barasertib,AZD1152-HQPA(Barasertib)}

> <pdid>
PD003227

> <targets>
{Aurora B,Aurora,Aurora Kinase,Apoptosis}

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

> <pubchem_cids>
{16007391}

$$$$
Broad_2021
  SciTegic11012413022D

 16 17  0  0  1  0            999 V2000
    3.9200   -5.8774    0.0000 O   0  0
    4.8054   -4.6666    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0  2  0  0  0
    3.9511   -0.8815    0.0000 C   0  0  1  0  0  0
    4.2566    0.5871    0.0000 O   0  0
    4.9531   -1.9978    0.0000 C   0  0  1  0  0  0
    6.4451   -1.8434    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  1
  6  8  1  0
  8  3  1  0
  8  9  1  1
  5 10  1  1
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 10  1  0
 15 16  2  0
M  END
> <name>
Broad_2021

> <id>
33751

> <plate>
Plate_1

> <well>
K16

> <supplier_cmpd_name>
Zebularine

> <ctcr_id>
7912

> <supplier_cmpd_id>
Zebularine

> <smiles>
OCC1O[C@H]([C@@H](O)[C@H]1O)N2C=CC=NC2=O

> <pd_targets>
{CDA,ADA}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{Enzymes,"Nucleotide salvage","Adenosine turnover","Pyrimidine salvage"}

> <pathway_reactome>
{Metabolism,"Metabolism of nucleotides","Nucleotide salvage","Pyrimidine salvage","Purine salvage"}

> <broad_targets>
{CDA,DNMT1}

> <broad_moa>
{"DNA methyltransferase inhibitor"}

> <synonyms>
{ZINC13813289,SW219092-1,SW2190921,"1-((2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl)pyrimidin-2-one","1((2R,3S,4R,5R)3,4dihydroxy5(hydroxymethyl)oxolan2yl)pyrimidin2one",S7113,Zebularine}

> <pdid>
PD003711

> <targets>
{Autophagy,DNA Methyltransferase}

> <classes>
{Autophagy,Epigenetics}

> <pubchem_cids>
{25886234}

$$$$
Broad_2021
  SciTegic11012413022D

 29 32  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 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 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8933    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    6.4914    5.2571    0.0000 C   0  0
    6.4915    3.7571    0.0000 N   0  3
    7.7905    3.0072    0.0000 O   0  5
    5.1925    3.0071    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3042    3.7556    0.0000 C   0  0
   -1.3088    5.2564    0.0000 C   0  0
   -0.0126    6.0112    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  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  2  0
 16 10  1  0
  7 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20  3  2  0
 20  6  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
M  CHG  2  14   1  15  -1
M  END
> <name>
Broad_2021

> <id>
33752

> <plate>
Plate_1

> <well>
L16

> <supplier_cmpd_name>
Dinaciclib

> <ctcr_id>
6449

> <supplier_cmpd_id>
Dinaciclib

> <smiles>
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(nc12)N4CCCCC4CCO

> <pd_targets>
{CCND1,CDK4,CCNA2,CDK2,CDK1,CDK5,BRD4,CCNT1,CDK9,BRDT,CDK5R1,CCNH,CDK7,MNAT1,CCNB1,CCNE1,HSF1,CDK6,TAOK1,GSK3A,GSK3B,DYRK1B,CLK4}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein",Kinase,Reader,"Protein Kinase",Bromodomain,"CMGC protein kinase group","CMGC protein kinase CDK family","CMGC protein kinase CDC2 subfamily","C
MGC protein kinase CDK5 subfamily","CMGC protein kinase CDK9 subfamily","CMGC protein kinase CDK7 subfamily","STE protein kinase group","STE protein kinase STE20 family","CMGC protein kinase GSK famil
y","CMGC protein kinase DYRK family","CMGC protein kinase CLK family","STE protein kinase TAO subfamily","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Bromodomain-containing proteins","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Enzymatic bromodomain-containin
g proteins","Non-enzymatic BRD containing proteins","Cyclin-dependent kinase (CDK) family","Bromodomain kinase (BRDK) family","CDK1 subfamily","CDK5 subfamily","CDK9 subfamily","CDK4 subfamily","STE: 
Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","STE20 family","Glycogen synthase kinase (GSK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CL
K family","TAO subfamily","GSK subfamily","CDK7 subfamily","Dyrk1 subfamily"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Disease,"Cellular responses to external stimuli",Mitotic,"RNA Polymerase II Transcription","Infectious disease","Cellular responses to stress","Regulati
on of mitotic cell cycle","Generic Transcription Pathway","SARS-CoV Infections","HIV Infection","Mitotic G1 phase and G1/S transition","Cellular response to heat stress","APC/C-mediated degradation of
 cell cycle proteins","Transcriptional Regulation by TP53","Potential therapeutics for SARS","HIV Life Cycle","G1 Phase","HSF1-dependent transactivation","Activation of APC/C and APC/C:Cdc20 mediated 
degradation of mitotic proteins","Regulation of TP53 Activity","Late Phase of HIV Life Cycle","Cyclin D associated events in G1","Attenuation phase","APC/C:Cdc20 mediated degradation of mitotic protei
ns","Regulation of TP53 Activity through Phosphorylation","Regulation of TP53 Expression and Degradation","Transcription of the HIV genome","APC:Cdc20 mediated degradation of cell cycle proteins prior
 to satisfation of the cell cycle checkpoint","Regulation of TP53 Degradation","HIV Transcription Elongation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Tat-mediated elongation of the HIV
-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat","M Phase","Mitotic Metaphase and Anaphase","SARS-CoV-1 Infection","Mitotic Anaphase","SARS-CoV-1 Genome Replication and Tran
scription","Separation of Sister Chromatids","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
{CDK1,CDK2,CDK5,CDK9}

> <broad_moa>
{"CDK inhibitor"}

> <synonyms>
{"SCH 727965",Kinome_3849,Kinome3849,Kinome-3849,"Kinome 3849",CHEMBL2006674,SCHEMBL15637863,HMS3656B06,HMS3672I09,BCP03473,AKOS026750260,NCGC00387827-02,NCGC0038782702,AK547961,LS-14909,LS14909,T1912
,S2768,Dinaciclib,"Dinaciclib (SCH727965)"}

> <pdid>
PD003528

> <targets>
{CDK}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{16048554}

$$$$
Broad_2021
  SciTegic11012413022D

 41 42  0  0  0  0            999 V2000
    3.8756   -9.7579    0.0000 C   0  0
    3.8808   -8.2579    0.0000 N   0  3
    5.1824   -7.5124    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  3
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 Cl  0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
    8.9876   -1.1293    0.0000 O   0  0
    8.9876   -2.6293    0.0000 C   0  0
    7.6883   -3.3789    0.0000 O   0  0
   10.2876   -3.3793    0.0000 C   0  0
   11.5876   -2.6293    0.0000 C   0  0
   11.5890   -1.1285    0.0000 C   0  0
   10.2904   -0.3777    0.0000 O   0  5
   12.8883   -0.3789    0.0000 O   0  0
   17.9875   -1.1293    0.0000 O   0  0
   17.9875   -2.6293    0.0000 C   0  0
   16.6883   -3.3789    0.0000 O   0  0
   19.2875   -3.3793    0.0000 C   0  0
   20.5875   -2.6293    0.0000 C   0  0
   20.5890   -1.1285    0.0000 C   0  0
   19.2904   -0.3777    0.0000 O   0  5
   21.8882   -0.3789    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  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  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23  9  1  0
 23 17  1  0
  5 24  1  0
 24 25  1  0
 25  2  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  1  0
 39 41  2  0
M  CHG  4   2   1   5   1  32  -1  40  -1
M  END
> <name>
Broad_2021

> <id>
33753

> <plate>
Plate_1

> <well>
M16

> <supplier_cmpd_name>
Prochlorperazine Dimaleate

> <ctcr_id>
4841

> <supplier_cmpd_id>
Prochlorperazine Dimaleate

> <smiles>
C[NH+]1CC[NH+](CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1.OC(=O)\C=C/C([O-])=O.OC(=O)\C=C/C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Prochlorperazine bimaleate","Proclorperazine maleate","Prochlorperazinu dimaleat",CHEBI:8436,"Prochlorperazine hydrogen maleate","Prochloroproazine hydrogen maleate",2-Chloro-10-(3-(1-methyl-4-piper
azinyl)propyl)phenothiazin,2Chloro10(3(1methyl4piperazinyl)propyl)phenothiazin,3287,Prestw-399,"Prochlorperazine dimaleate"}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5462695,25137869,5281032}

$$$$
Broad_2021
  SciTegic11012413022D

 31 35  0  0  1  0            999 V2000
   -2.6451  -10.6212    0.0000 N   0  0
   -1.2321  -10.1179    0.0000 S   0  0
   -0.0900  -11.0902    0.0000 O   0  0
   -1.5029  -11.5932    0.0000 O   0  0
   -0.9618   -8.6416    0.0000 O   0  0
   -2.1046   -7.6686    0.0000 C   0  0
   -1.8348   -6.1949    0.0000 C   0  0  2  0  0  0
   -0.4810   -5.5489    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0  2  0  0  0
   -2.1519   -3.7886    0.0000 C   0  0
   -2.8675   -5.1069    0.0000 C   0  0  2  0  0  0
   -4.3546   -5.3029    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
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 C   0  0  1  0  0  0
    1.3787    3.8597    0.0000 C   0  0
    1.8375    5.2879    0.0000 C   0  0
    3.3367    5.2926    0.0000 C   0  0
    4.3367    6.4106    0.0000 C   0  0
    5.8050    6.1036    0.0000 C   0  0
    6.2732    4.6786    0.0000 C   0  0
    5.2732    3.5606    0.0000 C   0  0
    3.8050    3.8675    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
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  7  6  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  7  1  0
 11 12  1  1
  9 13  1  6
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 19 18  1  1
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 19  1  0
 27 22  1  0
 17 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 13  1  0
 31 16  1  0
M  END
> <name>
Broad_2021

> <id>
33754

> <plate>
Plate_1

> <well>
N16

> <supplier_cmpd_name>
Pevonedistat

> <ctcr_id>
8260

> <supplier_cmpd_id>
Pevonedistat

> <smiles>
N[S](=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)n2ccc3c(N[C@H]4CCc5ccccc45)ncnc23

> <pd_targets>
{NEDD8,UBA3,NAE1,GRK5,CSNK1A1,CA2}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,Ligase,Kinase,Lyase,"Protein Kinase","AGC protein kinase group","CK1 protein kinase group","AGC protein kinase GRK family","CK1 protein kinase CK1 family","AGC protein k
inase GRK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Carbonic anhydrases","AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase 1","G protein-coupled receptor kinases (GRKs)","Casein kinase 1 (CK1) family","GRK4 s
ubfamily"}

> <pathway_reactome>
{"Metabolism of proteins","Immune System","Post-translational protein modification","Innate Immune System",Deubiquitination,"C-type lectin receptors (CLRs)","UCH proteinases","CLEC7A (Dectin-1) signal
ing","Dectin-1 mediated noncanonical NF-kB signaling","Signal Transduction",Disease,"Transport of small molecules","Signaling by GPCR","Diseases of signal transduction by growth factor receptors and s
econd messengers","O2/CO2 exchange in erythrocytes","GPCR downstream signalling","Signaling by WNT in cancer","Erythrocytes take up carbon dioxide and release oxygen","G alpha (q) signalling events","
Signaling by AMER1 mutants","Truncations of AMER1 destabilize the destruction complex"}

> <broad_targets>
{NAE1,UBA3}

> <broad_moa>
{"nedd activating enzyme inhibitor"}

> <synonyms>
{Pevonedistat,MLN-4924,MLN4924,905579-51-3,905579513,"MLN 4924",UNII-S3AZD8D215,UNIIS3AZD8D215,"Pevonedistat (MLN-4924)","Pevonedistat (MLN4924)",S3AZD8D215,"905579-51-3 (free base)","905579513 (free 
base)",MLN-4924003,MLN4924003,1160295-21-5,1160295215,C21H25N5O4S,"Pevonedistat (USAN:INN)",pevonedistatum,3gzn,B39,"Pevonedistat (USAN)",T6332,HY-70062,15217,MLN4924,pevonedistat}

> <pdid>
PD003365

> <targets>
{NEDD8-activating Enzyme}

> <classes>
{Metabolic Enzyme/Protease}

> <pubchem_cids>
{16720766}

$$$$
Broad_2021
  SciTegic11012413022D

 34 37  0  0  0  0            999 V2000
    7.7694  -10.5156    0.0000 C   0  0
    9.0713   -9.7705    0.0000 S   0  0
   10.3672  -10.5258    0.0000 O   0  0
    9.0654  -11.2705    0.0000 O   0  0
    9.0764   -8.2697    0.0000 C   0  0
   10.3780   -7.5242    0.0000 C   0  0
   10.3832   -6.0242    0.0000 C   0  0
    9.0867   -5.2697    0.0000 C   0  0
    7.7850   -6.0152    0.0000 C   0  0
    6.4863   -5.2630    0.0000 C   0  0
    5.1851   -6.0107    0.0000 N   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2935   -3.7495    0.0000 N   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    2.5795   -7.5048    0.0000 C   0  0
    1.2784   -8.2511    0.0000 F   0  0
    3.8762   -8.2589    0.0000 F   0  0
    2.5751   -9.0048    0.0000 F   0  0
    7.7800   -7.5152    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 19  1  0
 25 26  2  0
 26 16  1  0
 14 27  2  0
 27 28  1  0
 28 29  2  0
 29 12  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
  9 34  2  0
 34  5  1  0
M  END
> <name>
Broad_2021

> <id>
33755

> <plate>
Plate_1

> <well>
O16

> <supplier_cmpd_name>
PF-573228

> <ctcr_id>
3111

> <supplier_cmpd_id>
PF-573228

> <smiles>
C[S](=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1

> <pd_targets>
{CDK7,PTK2,ULK1,CDK1,CCNB1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","TK protein kinase group","Other protein kinase group","CMGC protein kinase CDK family","Tyrosine protein kinase Fak family","Other protein 
kinase ULK family","CMGC protein kinase CDK7 subfamily","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","Cyclin-dependent kinase (CDK) family","TK: Tyrosine kinase","Other p
rotein kinases","CDK7 subfamily","Non-receptor tyrosine kinases (nRTKs)","Unc-51-like kinase (ULK) family","CDK1 subfamily","Fak family"}

> <pathway_reactome>
{Disease,Autophagy,"Cell Cycle","Infectious disease",Macroautophagy,Mitotic,"HIV Infection","Leishmania infection","Selective autophagy","Regulation of mitotic cell cycle","HIV Life Cycle","Parasite i
nfection",Mitophagy,"APC/C-mediated degradation of cell cycle proteins","Late Phase of HIV Life Cycle","Leishmania phagocytosis","Receptor Mediated Mitophagy","Activation of APC/C and APC/C:Cdc20 medi
ated degradation of mitotic proteins","Transcription of the HIV genome","FCGR3A-mediated phagocytosis","APC/C:Cdc20 mediated degradation of mitotic proteins","HIV Transcription Elongation","APC: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 Cyclin A",
"Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{CDK1,CDK2,CDK7,GSK3B,IKBKB}

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

> <synonyms>
{F57322,869288-64-2,869288642,PF-573228,PF573228,"PF 573228",PF-228,PF228,CHEMBL514554,cc-288,cc288,MLS006011194,SCHEMBL5212404,C22H20F3N5O3S,CHEBI:91446,AOB6346,DTXSID10469447,HMS3262N09,HMS3651A08,H
MS3672C09,BCP03672,EX-A2132,EXA2132,Tox21_500864,Tox21500864,Tox21-500864,"Tox21 500864",2638AH,BDBM50269948,MFCD11519967,s,T2001,3239,S2013}

> <pdid>
PD003320

> <targets>
{FAK}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{11612883}

$$$$
Broad_2021
  SciTegic11012413022D

 39 43  0  0  0  0            999 V2000
   -6.5529  -10.5899    0.0000 C   0  0
   -5.0856  -10.2783    0.0000 N   0  0
   -4.0821  -11.3932    0.0000 C   0  0
   -2.6148  -11.0816    0.0000 C   0  0
   -2.1509   -9.6551    0.0000 N   0  0
   -3.1545   -8.5402    0.0000 C   0  0
   -4.6218   -8.8518    0.0000 C   0  0
   -0.6835   -9.3403    0.0000 C   0  0
    0.3219  -10.4535    0.0000 O   0  0
   -0.2222   -7.9149    0.0000 C   0  0
    1.2028   -7.4466    0.0000 C   0  0
    2.4192   -8.3243    0.0000 C   0  0
    1.1979   -5.9466    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 O   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -1.3010    3.7516    0.0000 C   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -3.9027    5.2517    0.0000 C   0  0
   -5.2032    5.9990    0.0000 C   0  0
   -6.5007    5.2464    0.0000 C   0  0
   -6.4977    3.7464    0.0000 C   0  0
   -7.7952    2.9937    0.0000 Cl  0  0
   -5.1971    2.9990    0.0000 C   0  0
   -1.1079   -6.7042    0.0000 C   0  0
   -2.6079   -6.7003    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 16  1  0
 25 20  1  0
 23 26  1  0
 26 27  2  0
 26 28  2  0
 26 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 37 31  1  0
 14 38  2  0
 38 10  1  0
 38 39  1  0
M  END
> <name>
Broad_2021

> <id>
33756

> <plate>
Plate_1

> <well>
P16

> <supplier_cmpd_name>
SU11274

> <ctcr_id>
4849

> <supplier_cmpd_id>
SU11274

> <smiles>
CN1CCN(CC1)C(=O)c2c(C)[nH]c(C=C3C(=O)Nc4ccc(cc34)[S](=O)(=O)N(C)c5cccc(Cl)c5)c2C

> <pd_targets>
{PTK2B,RORC,MET,RECQL,CCNE1,CDK2,KMT2A,MEN1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator",Kinase,"Nuclear receptor",Reader,"Protein Kinase","Nuclear hormone receptor subfamily 1",Bromodomain,"TK protein kinase group","Nuclear hormone re
ceptor subfamily 1 group F","CMGC protein kinase group","Tyrosine protein kinase Fak family","Nuclear hormone receptor subfamily 1 group F member 3","Tyrosine protein kinase Met family","CMGC protein 
kinase CDK family","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Nuclear hormone receptors","Receptor kinases","1F. Retinoic acid-related orphans","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kin
ases (RTKs)","Fak family","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)","Developmental Biology","Cytokine Signaling in Immune system","RNA Polymerase II Transcription","Nervous system development","Signaling by Interleuki
ns","Generic Transcription Pathway","Axon guidance","Interleukin-2 family signaling","Transcriptional regulation by RUNX3","Semaphorin interactions","Interleukin-2 signaling","RUNX3 Regulates Immune R
esponse and Cell Migration","Sema4D in semaphorin signaling","Sema4D mediated inhibition of cell attachment and migration"}

> <broad_targets>
{MET}

> <broad_moa>
{"hepatocyte growth factor receptor inhibitor","tyrosine kinase inhibitor"}

> <synonyms>
{U11274(PKISU11274,HMS3295E03,HMS3654C17,NCGC00165902-02,NCGC0016590202,FT-0700347,FT0700347,SW219453-1,SW2194531,Q27163250,T6154,"EMD 448101",S1080,SU11274,448101,SU11274(PKI-SU11274),"SU 11274"}

> <pdid>
PD003569

> <targets>
{c-Met,c-MET}

> <classes>
{}

> <pubchem_cids>
{53396327}

$$$$
Broad_2021
  SciTegic11012413022D

 30 35  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
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968    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
   -9.0976    3.7442    0.0000 O   0  0
   -7.7950    1.4963    0.0000 C   0  0
   -6.4948    0.7483    0.0000 C   0  0
   -9.0935    0.7438    0.0000 C   0  0
   -7.4425    0.1216    0.0000 C   0  0
   -8.3318    1.3345    0.0000 C   0  0
   -9.7731    0.7903    0.0000 C   0  0
  -11.2618    1.3065    0.0000 C   0  0
  -11.2158    2.7942    0.0000 C   0  0
   -9.8195    3.3018    0.0000 C   0  0
   -8.3029    2.8158    0.0000 C   0  0
   -9.0248    2.1315    0.0000 C   0  0
  -10.3729    0.2502    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 10  1  0
 10 11  2  0
 11 12  1  0
 12  7  1  0
 12 13  2  0
 13  4  1  0
  9 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 14  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 23  1  0
 27 29  1  0
 29 21  1  0
 25 30  1  0
 30 21  1  0
M  END
> <name>
Broad_2021

> <id>
33757

> <plate>
Plate_1

> <well>
A17

> <supplier_cmpd_name>
CD 437

> <ctcr_id>
7657

> <supplier_cmpd_id>
CD 437

> <smiles>
OC(=O)c1ccc2cc(ccc2c1)c3ccc(O)c(c3)C45CC6CC(CC(C6)C4)C5

> <pd_targets>
{ALOX12,KDM4E,MAPT,KMT2A,MEN1,HSD17B10,RORC,ALOX15,MAPK1,HPGD,CYP3A4,RARB,TP53,RARG,RARA,FTL,LEF,ALDH1A1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein","Transcription factor","Unclassified protein",Protease,Eraser,Reader,Oxidoreductase,"Nuclear receptor",Kinase,"Cytochrome P450","Cysteine prote
ase","Lysine demethylase",Bromodomain,"Nuclear hormone receptor subfamily 1","Protein Kinase","Cytochrome P450 family 3","Metallo protease","Cysteine protease CA clan","Jumonji domain-containing","Nuc
lear hormone receptor subfamily 1 group F","CMGC protein kinase group","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 1 group B","Metallo protease MAE clan","Cysteine protease C1A fam
ily","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group B member 2","Nuclear hormone receptor s
ubfamily 1 group B member 3","Nuclear hormone receptor subfamily 1 group B member 1","Metallo protease M34 family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","Chromatin modifying enzymes","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Cytochrome P450",Lipoxygenases,"1.14.11.- Histone demethylases","1F. Retinoic
 acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Prostaglandin synthases","CYP3 family","1B. Retinoic acid receptors","Mitogen-activated protein kinases (MAP kinases)","ERK subf
amily"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Gene expression (Transcription)","Immune System","Cell Cycle","Metabolism of proteins","Vesicle-mediated transport",Disease,"Metabolism of lipids","Transmission across C
hemical Synapses","Metabolism of amino acids and derivatives","RNA Polymerase II Transcription","Innate Immune System","Cell Cycle Checkpoints","Post-translational protein modification","Membrane Traf
ficking","Infectious disease","Biological oxidations","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Branched-chain amin
o acid catabolism","Generic Transcription Pathway","Toll-like Receptor Cascades","G1/S DNA Damage Checkpoints",SUMOylation,"trans-Golgi Network Vesicle Budding","Uptake and actions of bacterial toxins
","Phase I - Functionalization of compounds","Biosynthesis of DPA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Toll Like Receptor 5 (TLR5
) Cascade","Biosynthesis of DHA-derived SPMs","Nuclear Receptor transcription pathway","p53-Dependent G1/S DNA damage checkpoint","SUMO E3 ligases SUMOylate target proteins","Golgi Associated Vesicle 
Biogenesis","Uptake and function of anthrax toxins","Ethanol oxidation","Biosynthesis of DPAn-3 SPMs","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","MyD88
 cascade initiated on plasma membrane","Biosynthesis of D-series resolvins","Biosynthesis of maresins","p53-Dependent G1 DNA Damage Response","SUMOylation of intracellular receptors","Biosynthesis of 
DPAn-3-derived maresins","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins and resolvins","MAP kinase activation","Biosynthesis of maresin-like SPMs","Stabilization 
of p53","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{RARG}

> <broad_moa>
{"retinoid receptor agonist"}

> <synonyms>
{125316-60-1,125316601,CD437,AHPN,"Cd 437","O-Desmethyl Adapalene","ODesmethyl Adapalene",CD-437,"6-(3-(1-adamantyl)-4-hydroxyphenyl)naphthalene-2-carboxylic acid","6(3(1adamantyl)4hydroxyphenyl)napht
halene2carboxylic acid","6-(3-(1-Adamantyl)-4-hydroxyphenyl)-2-naphthalenecarboxylic Acid","6(3(1Adamantyl)4hydroxyphenyl)2naphthalenecarboxylic Acid",6-(3-(1-Adamantyl)-4-hydroxyphenyl)-2-naphthalen,
6(3(1Adamantyl)4hydroxyphenyl)2naphthalen,T4371,C5865,nan,"CD 437"}

> <pdid>
PD003472

> <targets>
{"RAR gamma Agonist"}

> <classes>
{}

> <pubchem_cids>
{135411}

$$$$
Broad_2021
  SciTegic11012413022D

  5  4  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 N   0  0
    1.3000    0.7500    0.0000 Pt  0  0
    1.3000   -0.7500    0.0000 N   0  0
    0.0007    0.0004    0.0000 Cl  0  0
    2.5993    0.0004    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
M  END
> <name>
Broad_2021

> <id>
33758

> <plate>
Plate_1

> <well>
B17

> <supplier_cmpd_name>
Cisplatin

> <ctcr_id>
1976

> <supplier_cmpd_id>
Cisplatin

> <smiles>
N[Pt](N)(Cl)Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{XIAP}

> <broad_moa>
{"DNA alkylating agent","DNA synthesis inhibitor"}

> <synonyms>
{"azanide; dichloroplatinum(2+)","azanide; bis(chloranyl)platinum(2+)",FT-0623946,FT0623946,A809760,AKOS027470117,cis-Diaminedichloroplatinum,cisDiaminedichloroplatinum,cis-Diamminedichlorplatine,cisD
iamminedichlorplatine,"cis-Dichlorodiamine platinum","cisDichlorodiamine platinum","Platinum, diamminedichloro-","Platinum, diamminedichloro",azanide;dichloroplatinum,119875,NSC119875,S1166,"NSC 11987
5
NSC 119875",Cisplatin}

> <pdid>
PD021732

> <targets>
{DNA/RNA Synthesis,Autophagy,DNA Alkylator/Crosslinker,Ferroptosis}

> <classes>
{DNA Damage,Radiation-Sensitizing Agents,Apoptosis,Autophagy,Cell Cycle/DNA Damage}

> <pubchem_cids>
{24191118,86820626,2767}

$$$$
Broad_2021
  SciTegic11012413022D

 23 24  0  0  0  0            999 V2000
    6.4833   -9.7648    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5018    3.7420    0.0000 C   0  0
   -6.5068    5.2419    0.0000 O   0  0
   -7.7986    2.9880    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  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 21 23  2  0
M  END
> <name>
Broad_2021

> <id>
33759

> <plate>
Plate_1

> <well>
C17

> <supplier_cmpd_name>
AC 55649

> <ctcr_id>
8342

> <supplier_cmpd_id>
AC 55649

> <smiles>
CCCCCCCCc1ccc(cc1)c2ccc(cc2)C(O)=O

> <pd_targets>
{RARB,MAPT,ALD,KMT2A,MEN1,ALDH1A1,MTOR,RARA}

> <pathway_gtopdb>
{"Transcription factor","Other cytosolic protein",Enzyme,"Epigenetic regulator","Nuclear receptor",Reader,Oxidoreductase,Kinase,"Nuclear hormone receptor subfamily 1",Bromodomain,"Protein Kinase","Nuc
lear hormone receptor subfamily 1 group B","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group B member 2","Atypical protein kinase PIKK family","Nuclear hormone receptor subfa
mily 1 group B member 1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Kinases (EC 2.7.x.x)","1B. Retinoic acid receptors",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Neuronal System",Metabolism,"Metabolism of proteins","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Biological oxidations","Post-transla
tional protein modification","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds",SUMOylation,"Nuclear Receptor 
transcription pathway","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Transcriptional Regulation by TP53","SUMO E3 ligases SUMOylate target proteins","Post NMDA receptor a
ctivation events","Regulation of TP53 Activity","SUMOylation of intracellular receptors","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression and Degradation","Regulation of TP53 D
egradation"}

> <broad_targets>
{RARA,RARB}

> <broad_moa>
{"retinoid receptor agonist"}

> <synonyms>
{966249,59662-49-6,59662496,AC-55649,AC55649,"4-(4-octylphenyl)benzoic acid","4(4octylphenyl)benzoic acid","AC 55649","4-Octyl-4'-biphenylcarboxylic acid","4Octyl4'biphenylcarboxylic acid","4'-n-octyl
biphenyl-4-carboxylic acid","4'noctylbiphenyl4carboxylic acid","4-N-Octylbiphenyl-4'-carboxylic acid","4NOctylbiphenyl4'carboxylic acid","4'-octyl-4-biphenylcarboxylic acid","4'octyl4biphenylcarboxyli
c acid",4'-Octylbiphenyl-4-c,4'Octylbiphenyl4c,2436}

> <pdid>
PD002638

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{1714884}

$$$$
Broad_2021
  SciTegic11012413022D

 27 29  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 F   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
    1.2946    3.7547    0.0000 C   0  0
    2.5943    3.0056    0.0000 C   0  0
    3.8928    3.7565    0.0000 C   0  0
    3.8918    5.2565    0.0000 C   0  0
    5.1903    6.0074    0.0000 Br  0  0
    2.5923    6.0056    0.0000 C   0  0
    1.2937    5.2548    0.0000 C   0  0
   -0.0058    6.0039    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0983    0.7368    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
  8 18  2  0
 18 19  1  0
 19 20  2  0
 20  2  1  0
 20  5  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
M  END
> <name>
Broad_2021

> <id>
33760

> <plate>
Plate_1

> <well>
D17

> <supplier_cmpd_name>
Selumetinib

> <ctcr_id>
2560

> <supplier_cmpd_id>
Selumetinib

> <smiles>
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO

> <pd_targets>
{EGFR,MAP2K1,MAP2K2,MAP3K1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","STE protein kinase group","Tyrosine protein kinase EGFR family","STE protein kinase STE7 family","STE protein kinase STE11 family"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","TK: Tyrosine kinase","STE7 family","Receptor ty
rosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","STE11 family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","GPCR downstream signalling","Signaling by NTRKs","G alpha (q) signalling events","Signaling by NTRK1 (TRKA)","Gastr
in-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","EGFR Transactivation by Gastrin","Prolonged ERK activation events","Frs2-mediated activation","Immune System","Innate Immune System",
"Toll-like Receptor Cascades","Toll Like Receptor 2 (TLR2) Cascade","Toll Like Receptor TLR6:TLR2 Cascade","MyD88:MAL(TIRAP) cascade initiated on plasma membrane"}

> <broad_targets>
{MAP2K1}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{Selumetinib,606143-52-6,606143526,AZD6244,"AZD 6244",ARRY-142886,ARRY142886,AZD-6244,"Selumetinib (AZD6244)","ARRY 142886","AZD6244 (Selumetinib)",ARRY-886,ARRY886,UNII-6UH91I579U,UNII6UH91I579U,CHEM
BL1614701,CHEBI:90227,6UH91I579U,NCGC00189073-01,NCGC0018907301,NCGC00189073-02,NCGC0018907302,C17H15BrClFN4O,T2508,T6218,S1008,Binimetinib,AZD6244(Selumetinib)}

> <pdid>
PD003249

> <targets>
{MEK}

> <classes>
{}

> <pubchem_cids>
{10127622}

$$$$
Broad_2021
  SciTegic11012413022D

 25 27  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    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 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 C   0  0
    2.5909   -7.5163    0.0000 O   0  0
    3.8934   -9.7640    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
  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 22  1  0
 22 23  2  0
 23 24  1  0
 24 19  1  0
 24 25  2  0
 25 16  1  0
M  END
> <name>
Broad_2021

> <id>
33761

> <plate>
Plate_1

> <well>
E17

> <supplier_cmpd_name>
BIBR 1532

> <ctcr_id>
7442

> <supplier_cmpd_id>
BIBR 1532

> <smiles>
C\C(=C/C(=O)Nc1ccccc1C(O)=O)c2ccc3ccccc3c2

> <pd_targets>
{TERT}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle","Chromosome Maintenance","Telomere Maintenance","Extension of Telomeres","Telomere Extension By Telomerase"}

> <broad_targets>
{TERT}

> <broad_moa>
{"telomerase inhibitor"}

> <synonyms>
{"BIBR 1532",321674-73-1,321674731,BIBR1532,"(E)-2-(3-(naphthalen-2-yl)but-2-enamido)benzoic acid","(E)2(3(naphthalen2yl)but2enamido)benzoic acid",BIBR-1532,CHEMBL27323,"2-(((2e)-3-(Naphthalen-2-Yl)bu
t-2-Enoyl)amino)benzoic Acid","2(((2e)3(Naphthalen2Yl)but2Enoyl)amino)benzoic Acid","2-(((E)-3-naphthalen-2-ylbut-2-enoyl)amino)benzoic Acid","2(((E)3naphthalen2ylbut2enoyl)amino)benzoic Acid",2-(3-Na
phthal,2(3Naphthal,T2380,S1186}

> <pdid>
PD003565

> <targets>
{Telomerase}

> <classes>
{}

> <pubchem_cids>
{9927531}

$$$$
Broad_2021
  SciTegic11012413022D

 28 31  0  0  0  0            999 V2000
    5.1663  -10.5034    0.0000 C   0  0
    6.4691   -9.7600    0.0000 C   0  0
    7.7644  -10.5165    0.0000 C   0  0
    9.0672   -9.7731    0.0000 C   0  0
    9.0747   -8.2731    0.0000 C   0  0
   10.3776   -7.5297    0.0000 F   0  0
    7.7795   -7.5165    0.0000 C   0  0
    7.7840   -6.0157    0.0000 N   0  0
    6.4870   -5.2605    0.0000 C   0  0
    5.1855   -6.0062    0.0000 O   0  0
    6.4915   -3.7597    0.0000 N   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.6924   -4.0811    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4767   -8.2600    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 18  1  0
 27 22  2  0
  7 28  2  0
 28  2  1  0
M  END
> <name>
Broad_2021

> <id>
33762

> <plate>
Plate_1

> <well>
F17

> <supplier_cmpd_name>
Linifanib

> <ctcr_id>
2503

> <supplier_cmpd_id>
Linifanib

> <smiles>
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)c3cccc4[nH]nc(N)c34)c1

> <pd_targets>
{TEK,CSNK1G1,MAPK11,FLT1,PDGFRB,CDK19,CDK8,AKT1,FRK,NTRK2,CAMK2B,CDK11B,MUSK,DDR1,SRMS,EPHA6,AURKA,EPHA3,STK10,EPHB6,EPHB2,LATS2,MYLK2,ABL1,STK26,STK33,PLK4,EPHB3,KDR,FLT3,KIT,FLT4,RET,PDGFRA,BLK,MST1
R,TAOK1,HIPK4,MAP2K5,MKNK2,RPS6KA5,RIPK1,GAK,DDR2,CSF1R,EPHB4,MAPK9,MAPK14,MAPK15,FER,PRKG1,RPS6KA4,MAP4K3,MET,CSNK1D,STK3,PRKACA,TIE1,NTRK3,NTRK1,EGFR,CLK1,SRC,SGK3,AURKC,CAMK1,CDK13,LIMK2,HIPK3,LATS
1,STK32B,FGFR1,FGFR2,FGFR3,FGFR4,CDK1,SLK,TNIK,CDK11A,MARK2,LTK,CDK16,AURKB,MAP4K5,MERTK,MINK1,BMPR2,AXL,CDK9,MYO3B,ALK,CDC42BPG,CYP19A1,MKNK1,MAPK10,EPHA2,EPHA5,EPHA7,MAP4K1,STK4,INSR,IRAK4,PLK3,STK3
2A,CSNK2A1,RPS6KB1,TAOK3,LYN,CAMK2D,INSRR,MAPK13,MAP4K2,CDK7,CLK4,EPHB1,BRSK1,SRPK1,MAP3K19,ROCK2,PBK,DYRK3,CSNK1G2,CAMK2G,MAP2K2,PTK2,MAP3K20,SMO,BMPR1B,IRAK1,ROCK1,HIPK2,MELK,MAPK12,FES,P2RY14}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor",Kinase,"Cytochrome P450","Frizzled family G protein-coupled receptor","Family A G protein-coupled receptor","Protein Kinase","Cytochrome P450 family 
19","Smoothened receptor (frizzled family GPCR)","Small molecule receptor (family A GPCR)","TK protein kinase group","CK1 protein kinase group","CMGC protein kinase group","AGC protein kinase group","
CAMK protein kinase group","Other protein kinase group","STE protein kinase group","TKL protein kinase group","Cytochrome P450 family 19A","Nucleotide-like receptor (family A GPCR)","Tyrosine protein 
kinase Tie family","CK1 protein kinase CK1 family","CMGC protein kinase MAPK family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","CMGC protein kinase CDK family","AGC
 protein kinase AKT family","Tyrosine protein kinase Src family","Tyrosine protein kinase Trk family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase Musk family","Tyrosine protein kinase 
DDR family","Tyrosine protein kinase Eph family","Other protein kinase AUR family","STE protein kinase STE20 family","AGC protein kinase NDR family","CAMK protein kinase MLCK family","Tyrosine protein
 kinase Abl family","CAMK protein kinase unique family","Other protein kinase PLK family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Met family","CMGC protein kinase DYRK family","S
TE protein kinase STE7 family","CAMK protein kinase MAPKAPK family","AGC protein kinase RSK family","TKL protein kinase RIPK family","Other protein kinase NAK family","Tyrosine protein kinase Fer fami
ly","AGC protein kinase PKG family","AGC protein kinase PKA family","Tyrosine protein kinase EGFR family","CMGC protein kinase CLK family","AGC protein kinase SGK family","CAMK protein kinase CAMK1 fa
mily","TKL protein kinase LISK family","AGC protein kinase YANK family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Axl family","TKL protein kin
ase STKR family","AGC protein kinase DMPK family","Cytochrome P450 19A1","Tyrosine protein kinase InsR family","TKL protein kinase IRAK family","Other protein kinase CK2 family","CMGC protein kinase S
RPK family","STE protein kinase STE11 family","Other protein kinase TOPK family","Tyrosine protein kinase Fak family","TKL protein kinase MLK family","Purine receptor","CMGC protein kinase p38 subfami
ly","CMGC protein kinase CDK8 subfamily","CMGC protein kinase PITSLRE subfamily","Tyrosine protein kinase Srm","STE protein kinase SLK subfamily","STE protein kinase YSK subfamily","STE protein kinase
 TAO subfamily","CMGC protein kinase HIPK subfamily","CAMK protein kinase MNK subfamily","AGC protein kinase MSK subfamily","CMGC protein kinase JNK subfamily","STE protein kinase KHS subfamily","STE 
protein kinase MST subfamily","TKL protein kinase LIMK subfamily","CMGC protein kinase CDC2 subfamily","STE protein kinase MSN subfamily","CAMK protein kinase MARK subfamily","CMGC protein kinase TAIR
E subfamily","TKL protein kinase STKR Type 2 subfamily","CMGC protein kinase CDK9 subfamily","STE protein kinase NinaC subfamily","TKL protein kinase STKR Type 1 subfamily","AGC protein kinase GEK sub
family","AGC protein kinase p70 subfamily","CMGC protein kinase CDK7 subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinase ROCK subfamily","CMGC protein kinase Dyrk2 subfamily","TKL prot
ein kinase MLK subfamily","CAMK protein kinase MELK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","G protein-coupled receptors","Receptor kinases","CK1: Casein kinase 1","CMGC: Containing CDK",MAPK,GSK3,"CLK families
","AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",CYP11,CYP17,CYP19,"CYP20 and CYP21 
families","Class Frizzled GPCRs","P2Y receptors","TK: Tyrosine kinase","Casein kinase 1 (CK1) family","Mitogen-activated protein kinases (MAP kinases)","Cyclin-dependent kinase (CDK) family","Akt (Pro
tein kinase B","PKB) family","CAMK2 family","Other protein kinases","STE20 family","NDR family","Myosin Light Chain Kinase (MLCK) family","CAMK-unique family","Dual-specificity tyrosine-(Y)-phosphoryl
ation regulated kinase (DYRK) family","STE7 family","MAPK-Activated Protein Kinase (MAPKAPK) family","RSK family","TKL: Tyrosine kinase-like","Protein kinase G (PKG) family","Protein kinase A (PKA) fa
mily","CLK family","SGK family","CAMK1 family","YANK family","CAMK-like (CAMKL) family","DMPK family","SRPK family","Receptor tyrosine kinases (RTKs)","p38 subfamily","CDK8 subfamily","Non-receptor ty
rosine kinases (nRTKs)","PITSLRE subfamily","Aurora kinase (Aur) family","SLK subfamily","YSK subfamily","Polo-like kinase (PLK) family","TAO subfamily","HIPK subfamily","MKN subfamily","MSK subfamily
","Receptor interacting protein kinase (RIPK) family","Numb-associated kinase (NAK) family","JNK subfamily","Erk7 subfamily","KHS subfamily","MST subfamily","CRK7 subfamily","LIM domain kinase (LISK) 
family","CDK1 subfamily","MSN subfamily","MARK subfamily","TAIRE subfamily","Receptor serine/threonine kinase (RSTK) family","CDK9 subfamily","NinaC subfamily","GEK subfamily","Interleukin-1 receptor-
associated kinase (IRAK) family","Casein kinase 2 (CK2) family","p70 subfamily","CDK7 subfamily","BRSK subfamily","STE20 subfamily","Rho kinase","TOPK family","Dyrk2 subfamily","Mixed Lineage Kinase (
MLK) family","MELK subfamily","Type XII RTKs: TIE family of angiopoietin receptors","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 rece
ptor family","Src family","Type VII RTKs: Neurotrophin receptor/Trk family","Type IX RTKs: MuSK","Type XVI RTKs: DDR (collagen receptor) family","Type XIII RTKs: Ephrin receptor family","Abl family","
Type XIV RTKs: RET","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Fer family","Type I RTKs: ErbB (epidermal growth factor) receptor family","LIMK subfamily","Type XIX RTKs: Leukocyte 
tyrosine kinase (LTK) receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type II receptor serine/threonine kinases","Type II RTKs: Insulin receptor family","Type V RTKs: 
FGF (fibroblast growth factor) receptor family","Fak family","MLK subfamily","Type I receptor serine/threonine kinases"}

> <pathway_reactome>
{"Signal Transduction","Immune System",Metabolism,Disease,"Gene expression (Transcription)","Neuronal System","Cell Cycle","Extracellular matrix organization","Developmental Biology","Programmed Cell 
Death","Vesicle-mediated transport",Hemostasis,"Transport of small molecules","Cellular responses to external stimuli","Organelle biogenesis and maintenance","MAPK family signaling cascades","Innate I
mmune System","Signaling by Receptor Tyrosine Kinases","Intracellular signaling by second messengers","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second mess
engers","RNA Polymerase II Transcription","Transmission across Chemical Synapses",Mitotic,"ECM proteoglycans","Non-integrin membrane-ECM interactions","Signaling by Non-Receptor Tyrosine Kinases","Ner
vous system development","Signaling by Hippo","Infectious disease",Apoptosis,"Membrane Trafficking","Platelet homeostasis","Signaling by GPCR","Ion channel transport","Cellular responses to stress","C
ell surface interactions at the vascular wall","Signaling by TGFB family members","Biological oxidations","MTOR signalling","Cilium Assembly","MAPK1/MAPK3 signaling","Toll-like Receptor Cascades","Sig
naling by VEGF","PIP3 activates AKT signaling","Regulation of lipid metabolism by PPARalpha","Signaling by NOTCH1 in Cancer","Generic Transcription Pathway","Signaling by NTRKs","Neurotransmitter rece
ptors and postsynaptic signal transmission","Mitotic G2-G2/M phases","Signaling by PTK6","Axon guidance","Neutrophil degranulation","Leishmania infection","Apoptotic execution phase","Signaling by Ins
ulin receptor","Signaling by KIT in disease","Signaling by PDGFR in disease","Signaling by MST1","M Phase","trans-Golgi Network Vesicle Budding","Signaling by SCF-KIT","Nitric oxide stimulates guanyla
te cyclase","GPCR downstream signalling","Stimuli-sensing channels","Regulation of mitotic cell cycle","Cellular Senescence","Signaling by BMP","HIV Infection","Phase I - Functionalization of compound
s","Signaling by FGFR","Signaling by FGFR in disease","mTORC1-mediated signalling","Sphingolipid metabolism","Cargo trafficking to the periciliary membrane","GPCR ligand binding","RAF/MAP kinase casca
de","Toll Like Receptor 5 (TLR5) Cascade","VEGF ligand-receptor interactions","Negative regulation of the PI3K/AKT network","PPARA activates gene expression","Signaling by NOTCH1 HD+PEST Domain Mutant
s in Cancer","Transcriptional Regulation by TP53","PTEN Regulation","Signaling by NTRK1 (TRKA)","Activation of NMDA receptors and postsynaptic events","G2/M Transition","PTK6 Down-Regulation","EPH-Eph
rin signaling","Parasite infection","Apoptotic cleavage of cellular proteins","VEGFA-VEGFR2 Pathway","Insulin receptor signalling cascade","Drug resistance of KIT mutants","RET signaling","Drug resist
ance of PDGFR mutants","Transcriptional regulation by RUNX1","Mitotic Metaphase and Anaphase","Toll Like Receptor 4 (TLR4) Cascade","Golgi Associated Vesicle Biogenesis","Transcriptional Regulation by
 VENTX","cGMP effects","L1CAM interactions","Semaphorin interactions","Signaling by NTRK3 (TRKC)","G alpha (q) signalling events","APC/C-mediated degradation of cell cycle proteins","Oxidative Stress 
Induced Senescence","HIV Life Cycle","Cytochrome P450 - arranged by substrate type","Signaling by FGFR4","Toll Like Receptor 2 (TLR2) Cascade","Signaling by FGFR1 in disease","Leishmania parasite grow
th and survival","Sphingolipid de novo biosynthesis","Signaling by FGFR3 in disease","BBSome-mediated cargo-targeting to cilium","Class A/1 (Rhodopsin-like receptors)","MyD88 cascade initiated on plas
ma membrane","VEGF binds to VEGFR leading to receptor dimerization",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Regulation of TP53 Activ
ity","Regulation of PTEN stability and activity","Activation of TRKA receptors","Post NMDA receptor activation events","Centrosome maturation","EPHA-mediated growth cone collapse","EPHB-mediated forwa
rd signaling","Leishmania phagocytosis","VEGFR2 mediated cell proliferation","IRS-mediated signalling","Dasatinib-resistant KIT mutants","Imatinib-resistant PDGFR mutants","RUNX1 regulates transcripti
on of genes involved in BCR signaling","Mitotic Anaphase","Signalling to ERK5","MyD88-independent TLR4 cascade","Recycling pathway of L1","Sema4D in semaphorin signaling","Activated NTRK3 signals thro
ugh PI3K","Signalling to ERKs","Gastrin-CREB signalling pathway via PKC and MAPK","TP53 Regulates Transcription of DNA Repair Genes","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitoti
c proteins","Late Phase of HIV Life Cycle","Endogenous sterols","Negative regulation of FGFR4 signaling","Toll Like Receptor TLR6:TLR2 Cascade","FGFR1 mutant receptor activation","Anti-inflammatory re
sponse favouring Leishmania parasite infection","Signaling by FGFR3 point mutants in cancer","CRMPs in Sema3A signaling","Nucleotide-like (purinergic) receptors","MAP kinase activation","Regulation of
 TP53 Expression and Degradation","NGF-independant TRKA activation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Recruitment of mitotic centrosome proteins and c
omplexes","Regulation of TP53 Activity through Phosphorylation","FCGR3A-mediated phagocytosis","Loss of proteins required for interphase microtubule organization from the centrosome","PI3K Cascade","S
eparation of Sister Chromatids","TRIF(TICAM1)-mediated TLR4 signaling","Sema4D mediated inhibition of cell attachment and migration","Prolonged ERK activation events","EGFR Transactivation by Gastrin"
,"Signalling to RAS","Activation of RAC1 downstream of NMDARs","Sema4D induced cell migration and growth-cone collapse","APC/C:Cdc20 mediated degradation of mitotic proteins","Transcription of the HIV
 genome","Spry regulation of FGF signaling","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Signaling by activated point mutants of FGFR1","FCGR3A-mediated IL10 synthesis","FGFR3 mutant recep
tor activation","P2Y receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Ras activation upon Ca2+ influx through NMDA receptor","Loss of Nlp from mitoti
c centrosomes","IKK complex recruitment mediated by RIP1","ARMS-mediated activation","p38MAPK events","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle chec
kpoint","HIV Transcription Elongation","Frs2-mediated activation","Signaling by activated point mutants of FGFR3","activated TAK1 mediates p38 MAPK activation","Activation of the AP-1 family of transc
ription factors","CREB phosphorylation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1
 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BT869(LINIFANIB,Linifanib,796967-16-3,796967163,ABT-869,ABT869,"Linifanib (ABT-869)","Linifanib (ABT869)",1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(2-fluoro-5-methylphenyl)urea,1(4(3amino1Hindazol4yl)
phenyl)3(2fluoro5methylphenyl)urea,AL-39324,AL39324,"ABT 869",N-(4-(3-amino-1H-indazol-4-yl)phenyl)-N'-(2-fluoro-5-methylphenyl)urea,N(4(3amino1Hindazol4yl)phenyl)N'(2fluoro5methylphenyl)urea,UNII-CO9
3X137CW,UNIICO93X137CW,R,T2514,S1003,linifanib,ABT-869(Linifanib)}

> <pdid>
PD003290

> <targets>
{FLT-3,PDGFR,VEGFR,FLT3,Apoptosis,Autophagy,c-Fms,c-Kit}

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

> <pubchem_cids>
{11485656}

$$$$
Broad_2021
  SciTegic11012413022D

 13 13  0  0  0  0            999 V2000
    2.1621   -7.4180    0.0000 C   0  0
    1.2830   -6.2026    0.0000 C   0  0
    1.8954   -4.8324    0.0000 C   0  0
    3.3874   -4.6783    0.0000 O   0  0
    1.0157   -3.6164    0.0000 O   0  0
    1.6281   -2.2462    0.0000 C   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    2.6401    0.8578    0.0000 O   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
   -1.6317   -2.2458    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
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  3
 11 12  1  0
 12  7  1  0
 12 13  2  0
M  END
> <name>
Broad_2021

> <id>
33763

> <plate>
Plate_1

> <well>
G17

> <supplier_cmpd_name>
MIRA-1

> <ctcr_id>
8273

> <supplier_cmpd_id>
MIRA-1

> <smiles>
CCC(=O)OCN1C(=O)C=CC1=O

> <pd_targets>
{CYP2C19,CYP1A2,HIF1A,REP,HPGD,WRN,ALDH1A1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Cytochrome P450",Transferase,Oxidoreductase,"Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P4
50 2C19","Cytochrome P450 1A1"}

> <pathway_chembl>
{Enzymes,"Other protein targets","Cytochrome P450","Anti-infective targets","Eicosanoid turnover","CYP2 family: drug metabolising subset","CYP1 family","Viral protein targets","Prostaglandin synthases
","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli",Disease,"Cell Cycle","Biological oxidations","Cellular responses to stress","Infectious disease","Metabolism of lipids","Chromosome Maintenance","P
hase I - Functionalization of compounds","Cellular response to hypoxia","SARS-CoV Infections","Biosynthesis of specialized proresolving mediators (SPMs)","Telomere Maintenance","Cytochrome P450 - arra
nged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","SARS-CoV-2 Infection","Biosynthesis of DHA-derived SPMs","Extension of Telomeres","Ethanol oxidation
",Xenobiotics,"SARS-CoV-2 Genome Replication and Transcription","Biosynthesis of D-series resolvins","Telomere C-strand (Lagging Strand) Synthesis","CYP2E1 reactions","Aromatic amines can be N-hydroxy
lated or N-dealkylated by CYP1A2","Replication of the SARS-CoV-2 genome","Processive synthesis on the C-strand of the telomere","Removal of the Flap Intermediate from the C-strand"}

> <broad_targets>
{}

> <broad_moa>
{"apoptosis stimulant"}

> <synonyms>
{IRA,MIRA-1,MIRA1,"MIRA 1",72835-26-8,72835268,"72835 26 8",NSC19630,N-propionyloxymethyl-maleimide,Npropionyloxymethylmaleimide,"N propionyloxymethyl maleimide","1-((1-OXOPROPOXY)METHYL)-1H-PYRROLE-2
,5-DIONE","1((1OXOPROPOXY)METHYL)1HPYRROLE2,5DIONE",1((1OXOPROPOXY)METHYL)1HPYRROLE2,5,3362,14858}

> <pdid>
PD003670

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{227681}

$$$$
Broad_2021
  SciTegic11012413022D

 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 Cl  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 F   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>
Broad_2021

> <id>
33764

> <plate>
Plate_1

> <well>
H17

> <supplier_cmpd_name>
Clofarabine

> <ctcr_id>
7109

> <supplier_cmpd_id>
Clofarabine

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

> <pd_targets>
{RRM2,PDE2A,RRM1,POLA1,POLA2,POLD1,POLD2,POLD3,POLD4,POLE,POLE2,POLE3,PRIM1,PRIM2,RRM2B}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase,Phosphodiesterase,Transferase,"Phosphodiesterase 2","Phosphodiesterase 2A"}

> <pathway_chembl>
{Enzymes,"1.17.4.1 Ribonucleoside-diphosphate reductases","Cyclic nucleotide turnover/signalling",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)"}

> <pathway_reactome>
{"Cell Cycle",Hemostasis,Metabolism,Mitotic,"Platelet homeostasis","Metabolism of nucleotides","Mitotic G1 phase and G1/S transition","Nitric oxide stimulates guanylate cyclase","Interconversion of nu
cleotide di- and triphosphates","G1/S Transition","cGMP effects","G1/S-Specific Transcription","E2F mediated regulation of DNA replication","Inhibition of replication initiation of damaged DNA by RB1/
E2F1"}

> <broad_targets>
{POLA1,POLD1,POLE,RRM1,RRM2,RRM2B}

> <broad_moa>
{"ribonucleotide reductase inhibitor"}

> <synonyms>
{Clofarabine,123318-82-1,123318821,Clolar,Evoltra,Clofarex,CAFdA,Cl-F-Ara-A,ClFAraA,C1-F-Ara-A,C1FAraA,UNII-762RDY0Y2H,UNII762RDY0Y2H,2-Chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-9H-purin-6-a
mine,2Chloro9(2deoxy2fluorobetaDarabinofuranosyl)9Hpurin6amine,2-Chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)adenine,2Chloro9(2deoxy2fluorobetaDarabinofuranosyl)adenine,CHEBI:681569,762RDY0Y2H,
T0297,S1218,clofarabine}

> <pdid>
PD001322

> <targets>
{"DNA/RNA Synthesis"}

> <classes>
{}

> <pubchem_cids>
{119182}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33765

> <plate>
Plate_1

> <well>
I17

> <supplier_cmpd_name>
Nutlin-3

> <ctcr_id>
4618

> <supplier_cmpd_id>
Nutlin-3

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33766

> <plate>
Plate_1

> <well>
J17

> <supplier_cmpd_name>
Sorafenib

> <ctcr_id>
6031

> <supplier_cmpd_id>
Sorafenib

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 34 36  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.5497    4.4223    0.0000 N   0  0
   -1.7974    5.7210    0.0000 C   0  0
   -2.5451    7.0223    0.0000 C   0  0
   -1.7929    8.3210    0.0000 C   0  0
   -2.5402    9.6216    0.0000 O   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -3.8794    1.4442    0.0000 C   0  0
   -4.8823    2.5608    0.0000 C   0  0
   -4.4166    3.9866    0.0000 O   0  0
   -6.3509    2.2515    0.0000 C   0  0
   -7.3549    3.3660    0.0000 C   0  0
   -8.8221    3.0539    0.0000 C   0  0
   -9.2853    1.6272    0.0000 C   0  0
  -10.7525    1.3151    0.0000 O   0  0
   -8.2815    0.5127    0.0000 C   0  0
   -6.8143    0.8248    0.0000 C   0  0
   -8.7450   -0.9148    0.0000 C   0  0
  -10.2120   -1.2278    0.0000 C   0  0
   -7.7408   -2.0290    0.0000 C   0  0
   -9.2076   -2.3417    0.0000 C   0  0
   -9.8265    4.1690    0.0000 C   0  0
   -9.3641    5.5960    0.0000 C   0  0
  -11.2936    3.8565    0.0000 C   0  0
  -10.8309    5.2831    0.0000 C   0  0
   -1.2990    0.7500    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  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  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  2  0
 14 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
 21 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 18 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 12 31  1  0
 31  4  2  0
 31 32  1  0
 32 33  2  0
 33  2  1  0
 33 34  1  0
M  END
> <name>
Broad_2021

> <id>
33767

> <plate>
Plate_1

> <well>
K17

> <supplier_cmpd_name>
CID 2858522

> <ctcr_id>
8331

> <supplier_cmpd_id>
CID 2858522

> <smiles>
Cc1cc2nc(NCCCO)n(CC(=O)c3cc(c(O)c(c3)C(C)(C)C)C(C)(C)C)c2cc1C

> <pd_targets>
{CYP3A4}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450","Cytochrome P450 family 3","Cytochrome P450 family 3A","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP3 family"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Biosynthesis of specialized proresolving mediators (SPMs)","Biosynthesis of DHA-derived SPMs","Biosynthesis of maresins","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{5867997,758679-97-9,758679979,CID-2858522,CID2858522,"CID 2858522",CHEMBL374350,ML029,SMR000855725,CBMicro_026940,CBMicro026940,CBMicro-026940,"CBMicro 026940",MLS001362415,MLS001362416,QCR-10,QCR10,
SCHEMBL1059226,CHEBI:93053,cid_2858523,cid2858523,cid-2858523,"cid 2858523",AOB1438,DTXSID30386304,BCP06877,3547AH,BDBM50308020,STL137695,ZINC33399280,4246}

> <pdid>
PD003404

> <targets>
{NF-ºB}

> <classes>
{NF-ºB}

> <pubchem_cids>
{2858523}

$$$$
Broad_2021
  SciTegic11012413022D

 33 36  0  0  0  0            999 V2000
   13.2524   -0.5550    0.0000 Cl  0  0
   10.7524   -0.5550    0.0000 Cl  0  0
    6.4878   -5.2574    0.0000 N   0  0
    6.4934   -3.7574    0.0000 C   0  0
    6.8046   -2.3560    0.0000 C   0  0
    8.2524   -2.7481    0.0000 C   0  0
    7.8603   -4.1959    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -4.0238    3.4635    0.0000 C   0  0
   -4.4873    4.8901    0.0000 O   0  0
   -4.9055    2.2500    0.0000 N   0  0
   -4.0238    1.0365    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  4  1  0
  4  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  2  3
 24 19  1  0
 24 25  1  0
 25 16  2  0
 25 26  1  0
 26 27  2  0
 27 14  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
M  END
> <name>
Broad_2021

> <id>
33768

> <plate>
Plate_1

> <well>
L17

> <supplier_cmpd_name>
MK-2206 (dihydrochloride)

> <ctcr_id>
1270

> <supplier_cmpd_id>
MK-2206 (dihydrochloride)

> <smiles>
Cl.Cl.NC1(CCC1)c2ccc(cc2)c3nc4C=CN5C(=O)NN=C5c4cc3c6ccccc6

> <pd_targets>
{AKT1,AKT3,AKT2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase AKT family"}

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

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Generic Transcription Pathway","Signaling by Insulin receptor","Tra
nscriptional Regulation by TP53","Insulin receptor signalling cascade","Regulation of TP53 Activity","IRS-mediated signalling","Regulation of TP53 Expression and Degradation","PI3K Cascade","Regulatio
n of TP53 Degradation","PKB-mediated events","PDE3B signalling"}

> <broad_targets>
{AKT1,AKT2,AKT3}

> <broad_moa>
{"AKT inhibitor"}

> <synonyms>
{K220,1032350-13-2,1032350132,"MK-2206 dihydrochloride","MK2206 dihydrochloride","MK-2206 2HCl","MK2206 2HCl",MK2206,"MK-2206 HCl salt","MK2206 HCl salt",UNII-Q34I3E28IO,UNIIQ34I3E28IO,"MK 2206",Q34I3
E28IO,C25H21N5O,"MK 2206 2HCl","AHU377 calcium salt",PubChem22473,1032349-77-1,1032349771,"MK 2206 dihydrochloride",C25H21N5O.HCl,cc-295,cc295,C25H21N5O.,T1952,S1078,"MK-2206 2HCl",MK-2206,"MK-2206 (d
ihydrochloride)"}

> <pdid>
PD003288

> <targets>
{Akt,AKT,Apoptosis,Autophagy}

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

> <pubchem_cids>
{46930998}

$$$$
Broad_2021
  SciTegic11012413022D

 26 27  0  0  0  0            999 V2000
    7.7858   -7.5171    0.0000 C   0  0
    6.4855   -8.2648    0.0000 N   0  0
    6.4833   -9.7656    0.0000 C   0  0
    7.6939  -10.6297    0.0000 C   0  0
    7.2254  -12.0546    0.0000 C   0  0
    5.7254  -12.0494    0.0000 S   0  0
    6.3512  -13.4126    0.0000 O   0  0
    4.2367  -11.8653    0.0000 O   0  0
    5.2668  -10.6212    0.0000 C   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 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    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
   -2.5972   -1.5031    0.0000 N   0  3
   -3.8976   -0.7554    0.0000 O   0  5
   -2.5951   -3.0031    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  2  0
  6  9  1  0
  9  3  1  0
  2 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 22 24  1  0
 24 25  1  0
 24 26  2  0
M  CHG  2  24   1  25  -1
M  END
> <name>
Broad_2021

> <id>
33769

> <plate>
Plate_1

> <well>
M17

> <supplier_cmpd_name>
CID 5951923

> <ctcr_id>
8350

> <supplier_cmpd_id>
CID 5951923

> <smiles>
CN(C1CC[S](=O)(=O)C1)C(=O)COC(=O)\C=C\c2cccc(c2)[N+]([O-])=O

> <pd_targets>
{TGR,KDM4E,KLF5}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein",Eraser,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{"Developmental Biology","Transcriptional regulation of granulopoiesis"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{4987243,749872-43-3,749872433,cid-5951923,cid5951923,"CID 5951923",SR-01000765880,SR01000765880,SR-01000765880-2,SR010007658802,CID5951923,MLS000771732,CHEMBL1330145,SCHEMBL15605931,BDBM76096,C16H18N
2O7S,cid_5951923,"cid 5951923",AOB1572,SYN5015,HMS2762N03,AKOS024458164,CS-W011760,CSW011760,AS-16382,AS16382,SMR000376412,EC-000.2509,EC000.2509,4446}

> <pdid>
PD003587

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5951923}

$$$$
Broad_2021
  SciTegic11012413022D

 32 36  0  0  0  0            999 V2000
    7.7884    1.5181    0.0000 F   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    5.1821    3.0099    0.0000 C   0  0
    6.4772    3.7666    0.0000 O   0  0
    3.8787    3.7539    0.0000 N   0  0
    3.8682    5.2539    0.0000 C   0  0
    2.5640    5.9949    0.0000 C   0  0
    1.2702    5.2360    0.0000 N   0  0
    1.2806    3.7360    0.0000 C   0  0
    2.5847    2.9950    0.0000 C   0  0
   -0.0363    5.9747    0.0000 C   0  0
   -0.0493    7.4746    0.0000 O   0  0
   -1.3297    5.2135    0.0000 C   0  0
   -2.7509    5.2443    0.0000 C   0  0
   -1.9874    3.9532    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17  7  1  0
 17 12  1  0
  5 18  1  0
 18 19  2  0
 19  2  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 25 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 30  1  0
M  END
> <name>
Broad_2021

> <id>
33770

> <plate>
Plate_1

> <well>
N17

> <supplier_cmpd_name>
Olaparib

> <ctcr_id>
6030

> <supplier_cmpd_id>
Olaparib

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

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

> <pathway_gtopdb>
{Enzyme,Transferase}

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

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

> <broad_targets>
{PARP1,PARP2}

> <broad_moa>
{"PARP inhibitor"}

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

> <pdid>
PD003576

> <targets>
{PARP,Autophagy,Mitophagy}

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

> <pubchem_cids>
{23725625}

$$$$
Broad_2021
  SciTegic11012413022D

 33 35  0  0  1  0            999 V2000
    9.9768    0.6923    0.0000 Cl  0  0
    7.4768    0.6923    0.0000 Cl  0  0
    3.4657   -0.9965    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.1143    4.0030    0.0000 N   0  0
    2.5801    3.6932    0.0000 C   0  0  2  0  0  0
    3.5822    4.8094    0.0000 C   0  0
    3.0465    2.2666    0.0000 C   0  0
    4.5136    1.9543    0.0000 C   0  0
    4.9768    0.5276    0.0000 C   0  0
    3.9728   -0.5869    0.0000 C   0  0
    2.5057   -0.2746    0.0000 C   0  0
    2.0425    1.1521    0.0000 N   0  0
    0.5041    5.3733    0.0000 C   0  0
    1.2541    6.6723    0.0000 O   0  0
   -0.9876    5.2165    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2122   -3.8625    0.0000 C   0  0
   -2.6367   -3.3928    0.0000 C   0  0
   -0.7464   -5.2884    0.0000 O   0  0
    0.7536   -5.2860    0.0000 N   0  0
    1.2149   -3.8587    0.0000 C   0  0
    2.6380   -3.3844    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
  9 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21  8  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24  7  1  0
 24 25  1  0
 25 26  2  0
 26  5  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 32 33  1  0
M  END
> <name>
Broad_2021

> <id>
33771

> <plate>
Plate_1

> <well>
O17

> <supplier_cmpd_name>
I-BET 151 dihydrochloride

> <ctcr_id>
8362

> <supplier_cmpd_id>
I-BET 151 dihydrochloride

> <smiles>
Cl.Cl.COc1cc2c3N([C@H](C)c4ccccn4)C(=O)Nc3cnc2cc1c5c(C)onc5C

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

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

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

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

> <broad_targets>
{BRD2,BRD3,BRD4}

> <broad_moa>
{"bromodomain inhibitor"}

> <synonyms>
{IBET151Dihydrochloride,AKOS027470148,BP-25355,BP25355,4650,"I-BET 151 dihydrochloride"}

> <pdid>
PD003679

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{121513850}

$$$$
Broad_2021
  SciTegic11012413022D

 32 35  0  0  1  0            999 V2000
    5.0987   -5.2852    0.0000 Cl  0  5
    2.5228   -3.0436    0.0000 C   0  0
    1.2626   -2.2300    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    2.5793    0.0316    0.0000 O   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -3.7124   -4.0030    0.0000 C   0  0
   -3.1022   -5.3733    0.0000 C   0  0
   -3.7125   -6.7424    0.0000 C   0  0
   -2.8308   -7.9559    0.0000 C   0  0
   -3.4409   -9.3262    0.0000 C   0  0
   -4.9332   -9.4862    0.0000 C   0  0
   -5.5417  -10.8581    0.0000 N   0  0
   -7.0331  -11.0180    0.0000 C   0  0
   -4.6579  -12.0701    0.0000 C   0  0
   -2.5592  -10.5397    0.0000 C   0  0
   -3.1693  -11.9101    0.0000 O   0  0
   -1.0674  -10.3829    0.0000 C   0  0
   -0.4573   -9.0126    0.0000 C   0  0
   -1.3390   -7.7991    0.0000 C   0  0
   -0.7289   -6.4288    0.0000 N   0  3
   -1.6105   -5.2165    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  1
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11  4  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 19 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 28  2  0
 28 18  1  0
 28 29  1  0
 29 30  2  0
 30 13  1  0
 30 16  1  0
 14 31  1  0
 31 10  1  0
 31 32  2  0
M  CHG  2   1  -1  29   1
M  END
> <name>
Broad_2021

> <id>
33772

> <plate>
Plate_1

> <well>
P17

> <supplier_cmpd_name>
Topotecan (Hydrochloride)

> <ctcr_id>
4742

> <supplier_cmpd_id>
Topotecan (Hydrochloride)

> <smiles>
[Cl-].CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5c(CN(C)C)c(O)ccc5[nH+]c34)C2=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NSC609699,"TOPOTECAN HYDROCHLORIDE",119413-54-6,119413546,"Topotecan Hcl",Hycamtin,"Topotecan (Hydrochloride)","Nogitecan hydrochloride","SK&F S-104864-A","SK&F S104864A","NSC 609699",UNII-956S425ZCY
,UNII956S425ZCY,"Topotecan hydrochloride (USAN)",NSC-609699,956S425ZCY,609699,S1231,SAM001246651,"Topotecan hydrochloride",topotecan,CPD000466344}

> <pdid>

> <targets>
{Apoptosis,Autophagy,Topoisomerase}

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

> <pubchem_cids>
{57525346,11972519,60699}

$$$$
Broad_2021
  SciTegic11012413022D

 34 39  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.6929   -4.0817    0.0000 C   0  0
    0.3385   -5.5341    0.0000 C   0  0
    1.4233   -6.5700    0.0000 C   0  0
    2.8629   -6.1484    0.0000 C   0  0
    3.2176   -4.6910    0.0000 C   0  0
    4.6570   -4.2662    0.0000 O   0  0
    5.0099   -2.8075    0.0000 C   0  0
    6.4493   -2.3827    0.0000 C   0  0
    6.8041   -0.9252    0.0000 C   0  0
    8.2436   -0.5037    0.0000 C   0  0
    9.3285   -1.5395    0.0000 C   0  0
    8.9738   -2.9970    0.0000 C   0  0
    7.5343   -3.4186    0.0000 C   0  0
    2.1327   -3.6551    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0  1  0  0  0
   -4.7449   -0.2644    0.0000 C   0  0
   -5.9313   -1.1822    0.0000 C   0  0  1  0  0  0
   -5.0135   -2.3686    0.0000 C   0  0
   -7.4136   -0.9899    0.0000 C   0  0
   -7.9915    0.3952    0.0000 N   0  0
   -9.4418    0.7246    0.0000 C   0  0
   -9.5602    2.2199    0.0000 C   0  0
   -8.1746    2.7945    0.0000 C   0  0
   -7.1999    1.6544    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  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
 14 23  2  0
 23 10  1  0
  9 24  1  0
 24  2  1  0
 24  6  2  0
 25  7  1  6
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 25  1  0
 27 29  1  1
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 30  1  0
M  END
> <name>
Broad_2021

> <id>
33773

> <plate>
Plate_1

> <well>
A18

> <supplier_cmpd_name>
NVP ADW 742

> <ctcr_id>
7100

> <supplier_cmpd_id>
NVP ADW 742

> <smiles>
Nc1ncnc2n(cc(c3cccc(OCc4ccccc4)c3)c12)[C@H]5C[C@@H](C5)CN6CCCC6

> <pd_targets>
{IGF1R,INSR,KIT,AURKA,FLT3,FLT1,CHEK2,PRKD2,RPS6KB1,MARK3,MARK2,CDC42BPA,LIMK1,KDR,LCK,FGFR1,ERBB4,BLK,SRC,STK3,CSNK1D,ROCK2,FLT4,LYN,ROCK1,PLK4,CSF1R,PRKCD,AURKB,NEK2,ACVR1,PDPK1,PIK3CG,FGFR4,EGFR,PD
GFRA,FGFR2,RET,GSC2,KCNH2,BTK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase InsR family","Other protein kinase group","CAMK protein kinase group","AGC protein kinase group","TKL protein kinase 
group","STE protein kinase group","CK1 protein kinase group","Tyrosine protein kinase PDGFR family","Other protein kinase AUR family","Tyrosine protein kinase VEGFR family","CAMK protein kinase RAD53 
family","CAMK protein kinase PKD family","AGC protein kinase RSK family","CAMK protein kinase CAMK1 family","AGC protein kinase DMPK family","TKL protein kinase LISK family","Tyrosine protein kinase S
rc family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase EGFR family","STE protein kinase STE20 family","CK1 protein kinase CK1 family","Other protein kinase PLK family","AGC protein 
kinase PKC family","Other protein kinase NEK family","AGC protein kinase p70 subfamily","CAMK protein kinase MARK subfamily","AGC protein kinase GEK subfamily","TKL protein kinase LIMK subfamily","STE
 protein kinase MST subfamily","AGC protein kinase ROCK subfamily","AGC protein kinase PKC delta subfamily","Ion channel",Transferase,"Voltage-gated ion channel","Potassium channels","Voltage-gated po
tassium channel","TKL protein kinase STKR family","AGC protein kinase PDK1 subfamily","Tyrosine protein kinase Ret family","Tyrosine protein kinase Tec family","TKL protein kinase STKR1"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type II RTKs: Insulin receptor family",Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmo
dulin-dependent protein kinases","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CK1: Casein kinase 1","Other protein kinases","CAMK-like
 (CAMKL) family","Protein kinase D (PKD) family","RSK family","DMPK family","TKL: Tyrosine kinase-like","STE20 family","Casein kinase 1 (CK1) family","Protein kinase C (PKC) family","Aurora kinase (Au
r) family","CHK1 subfamily","p70 subfamily","MARK subfamily","GEK subfamily","LIM domain kinase (LISK) family","Non-receptor tyrosine kinases (nRTKs)","MST subfamily","Rho kinase","Polo-like kinase (P
LK) family","Delta subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type IV RTKs: VEGF (vascular endothelial growth fact
or) receptor family","LIMK subfamily","Src family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Ion channels","Voltage-g
ated ion channels","Lipid modifying kinases","Potassium channels","PDK1 family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Voltage-gated potassium channels","Receptor serine/threonine ki
nase (RSTK) family","Type I receptor serine/threonine kinases","Type XIV RTKs: RET","Tec family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Intracellular signaling by second messengers","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","PIP3 activates AKT s
ignaling","IGF1R signaling cascade","Negative regulation of the PI3K/AKT network","IRS-related events triggered by IGF1R",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling",Disease,"Gene expression (Tra
nscription)",Metabolism,"Developmental Biology","Neuronal System","Cell Cycle","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Met
abolism of lipids","MTOR signalling","Nervous system development","Infectious disease","Transmission across Chemical Synapses","Signaling by Hippo",Mitotic,"Signaling by KIT in disease","Generic Trans
cription Pathway","Signaling by Insulin receptor","Signaling by VEGF","Sphingolipid metabolism","mTORC1-mediated signalling","Oncogenic MAPK signaling","Axon guidance","HIV Infection","Signaling by FG
FR in disease","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by NTRKs","Mitotic G2-G2/M phases","Leishmania infection","DAG and IP3 signaling","M Phase","Regulation of m
itotic cell cycle","Drug resistance of KIT mutants","Transcriptional Regulation by TP53","Insulin receptor signalling cascade","VEGF ligand-receptor interactions","Sphingolipid de novo biosynthesis","
Signaling by RAS mutants","Semaphorin interactions","VEGFA-VEGFR2 Pathway","Host Interactions of HIV factors","Signaling by FGFR1 in disease","Activation of NMDA receptors and postsynaptic events","Tr
anscriptional regulation by RUNX1","Signaling by NTRK1 (TRKA)","G2/M Transition","Leishmania parasite growth and survival","Transcriptional Regulation by VENTX","CaM pathway","Mitotic Metaphase and An
aphase","APC/C-mediated degradation of cell cycle proteins","Dasatinib-resistant KIT mutants","Regulation of TP53 Activity","IRS-mediated signalling","VEGF binds to VEGFR leading to receptor dimerizat
ion","Signaling downstream of RAS mutants","Sema4D in semaphorin signaling","VEGFR2 mediated cell proliferation","The role of Nef in HIV-1 replication and disease pathogenesis","FGFR1 mutant receptor 
activation","Post NMDA receptor activation events","RUNX1 regulates transcription of genes involved in BCR signaling","Signalling to ERKs","Centrosome maturation","Anti-inflammatory response favouring
 Leishmania parasite infection","Calmodulin induced events","Mitotic Anaphase","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity through Phosp
horylation","PI3K Cascade","Regulation of TP53 Expression and Degradation","Sema4D induced cell migration and growth-cone collapse","Nef-mediates down modulation of cell surface receptors by recruitin
g them to clathrin adapters","Signaling by activated point mutants of FGFR1","Long-term potentiation","Signalling to RAS","Loss of proteins required for interphase microtubule organization from the ce
ntrosome","FCGR3A-mediated IL10 synthesis","Separation of Sister Chromatids","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Degradation","Nef Mediated CD4 Down-regulation",
"p38MAPK events","Loss of Nlp from mitotic centrosomes","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","APC-Cdc20 mediated degradation of Nek
2A","Muscle contraction","Signaling by GPCR","Cardiac conduction","Phospholipid metabolism","Signaling by FGFR","GPCR downstream signalling","Signaling by PDGFR in disease","Phase 3 - rapid repolarisa
tion","PI Metabolism","Signaling by FGFR4","G alpha (q) signalling events","Drug resistance of PDGFR mutants","Signaling by FGFR2 in disease","RET signaling","Parasite infection","Synthesis of PIPs at
 the plasma membrane","Downstream signaling of activated FGFR4","Gastrin-CREB signalling pathway via PKC and MAPK","Imatinib-resistant PDGFR mutants","FGFR2 mutant receptor activation","Leishmania pha
gocytosis","FRS-mediated FGFR4 signaling","EGFR Transactivation by Gastrin","Activated point mutants of FGFR2","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{IGF1R,INSR}

> <broad_moa>
{"IGF-1 inhibitor"}

> <synonyms>
{NVP-ADW742,NVPADW742,475488-23-4,475488234,ADW-742,ADW742,475489-15-7,475489157,UNII-MXS2N5862L,UNIIMXS2N5862L,CHEMBL399021,cis-NVP-ADW742,cisNVPADW742,"GSK 621659A",MXS2N5862L,C28H31N5O,GSK-552602A,
GSK552602A,Kinome_2540,Kinome2540,Kinome-2540,"Kinome 2540",SCHEMBL95142,cc-532,cc532,"NVP ADW 742",NVP-ADW742/,NVPADW742/,SCHEMBL1983470,SCHEMBL1983472,CHEMBL1988370,DTXSI,S1088}

> <pdid>
PD003523

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

> <classes>
{}

> <pubchem_cids>
{9825149}

$$$$
Broad_2021
  SciTegic11012413022D

 37 41  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.6177   -1.4570    0.0000 C   0  0
   -5.8657   -2.7548    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 C   0  0
    2.6005   -2.9949    0.0000 C   0  0
    3.9021   -3.7404    0.0000 C   0  0
    3.9073   -5.2404    0.0000 C   0  0
    5.2089   -5.9859    0.0000 I   0  0
    2.6108   -5.9949    0.0000 C   0  0
    1.3092   -5.2494    0.0000 C   0  0
    0.0128   -6.0039    0.0000 F   0  0
   -2.5981    3.0007    0.0000 C   0  0
   -1.3003    3.7529    0.0000 C   0  0
   -1.3026    5.2529    0.0000 C   0  0
   -2.6029    6.0009    0.0000 C   0  0
   -3.9007    5.2488    0.0000 C   0  0
   -5.2032    5.9944    0.0000 N   0  0
   -6.5007    5.2401    0.0000 C   0  0
   -6.4957    3.7401    0.0000 C   0  0
   -7.8025    5.9854    0.0000 O   0  0
   -3.8983    3.7488    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 11  1  0
 10 14  1  0
 14 15  2  0
 14 16  1  0
 16  6  1  0
 16 17  2  3
 17  2  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
 25 26  1  0
  7 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 31 36  2  0
 36 27  1  0
  5 37  1  0
M  END
> <name>
Broad_2021

> <id>
33774

> <plate>
Plate_1

> <well>
B18

> <supplier_cmpd_name>
Trametinib

> <ctcr_id>
311

> <supplier_cmpd_id>
Trametinib

> <smiles>
CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(C)=O)c5)C

> <pd_targets>
{MAP2K1,MAP2K2,ABCB1,BRAF}

> <pathway_gtopdb>
{Enzyme,Transporter,Kinase,"Primary active transporter","Protein Kinase","ATP-binding cassette","STE protein kinase group","ABCB subfamily","TKL protein kinase group","STE protein kinase STE7 family",
"TKL protein kinase RAF family"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","Catalytic receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","ABCB subfam
ily","Receptor kinases","STE7 family","TKL: Tyrosine kinase-like","RAF family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Signaling by Receptor Tyrosine Kinases","Abacavir transport and metabolism","Signaling by NTRKs","Abacavir transmembrane transport","Signaling by NTRK1 (TRKA)","Sign
alling to ERKs","Prolonged ERK activation events","Frs2-mediated activation","ARMS-mediated activation"}

> <broad_targets>
{MAP2K1,MAP2K2}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{Trametinib,871700-17-3,871700173,GSK1120212,Mekinist,GSK-1120212,"JTP 74057",JTP-74057,JTP74057,"GSK 1120212","Trametinib (GSK1120212)",GSK212,UNII-33E86K87QN,UNII33E86K87QN,TMT212,CHEBI:75998,TMT-21
2,33E86K87QN,"Trametinib (USAN:INN)",trametinibum,QOM,"Trametinib (USAN)",T2125,758246,S2673,trametinib,"GSK1120212 (Trametinib)"}

> <pdid>
PD003250

> <targets>
{MEK}

> <classes>
{MAPK,"Kinase inhibitor"}

> <pubchem_cids>
{11707110}

$$$$
Broad_2021
  SciTegic11012413022D

 42 45  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -7.7876   -1.5212    0.0000 C   0  0
   -9.0905   -0.7779    0.0000 O   0  0
   -7.7802   -3.0220    0.0000 N   0  0
   -9.0758   -3.7796    0.0000 C   0  0
   -9.0707   -5.2796    0.0000 C   0  0
  -10.3671   -6.0341    0.0000 C   0  0
  -11.6687   -5.2886    0.0000 C   0  0
  -12.9652   -6.0432    0.0000 C   0  0
  -11.6740   -3.7886    0.0000 C   0  0
  -12.9748   -3.0401    0.0000 N   0  0
  -12.9779   -1.5393    0.0000 C   0  0
  -14.2769   -0.7892    0.0000 N   0  0
  -14.2770    0.7108    0.0000 C   0  0
  -12.9780    1.4608    0.0000 C   0  0
  -11.6789    0.7109    0.0000 C   0  0
  -11.6789   -0.7891    0.0000 N   0  0
  -10.3792    1.4613    0.0000 C   0  0
  -10.3768    2.9613    0.0000 C   0  0
   -9.0766    3.7093    0.0000 C   0  0
   -7.7787    2.9573    0.0000 C   0  0
   -7.7811    1.4573    0.0000 N   0  0
   -9.0813    0.7093    0.0000 C   0  0
  -10.3776   -3.0341    0.0000 C   0  0
    6.3987    0.3329    0.0000 C   0  0
    6.3987   -1.1671    0.0000 S   0  0
    6.3987   -2.6671    0.0000 O   0  0
    5.0994   -1.9167    0.0000 O   0  0
    7.6980   -1.9167    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  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
 23 37  2  0
 37 18  1  0
 38 39  1  0
 39 40  1  0
 39 41  2  0
 39 42  2  0
M  END
> <name>
Broad_2021

> <id>
33775

> <plate>
Plate_1

> <well>
C18

> <supplier_cmpd_name>
Imatinib mesylate

> <ctcr_id>
4225

> <supplier_cmpd_id>
Imatinib mesylate

> <smiles>
CN1CCN(CC1)Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3.C[S](O)(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{ABL1,CSF1R,DDR1,KIT,NTRK1,PDGFRA,PDGFRB,RET}

> <broad_moa>
{"Bcr-Abl kinase inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor"}

> <synonyms>
{"Imatinib mesylate",220127-57-1,220127571,Gleevec,Glivec,"Imatinib mesilate","imatinib methanesulfonate","Imatinib Mesylate (STI571)",sti-571,sti571,"Imatinib (mesylate)",CGP-57148B,CGP57148B,"imatin
ib monomesylate","CGP 57148B","220127-57-1 (mesylate)","220127571 (mesylate)","STI 571",T1621,S1026,SAM001246622,"Imatinib Mesylate",CPD000469175}

> <pdid>
PD001319

> <targets>
{c-Kit,Autophagy,Bcr-Abl,PDGFR}

> <classes>
{Autophagy,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{123596,90091706}

$$$$
Broad_2021
  SciTegic11012413022D

 33 37  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 O   0  0
    1.2960    5.2539    0.0000 C   0  0
   -0.0056    5.9995    0.0000 C   0  0
   -0.0108    7.4995    0.0000 C   0  0
    1.2856    8.2540    0.0000 C   0  0
    1.5920    9.7216    0.0000 N   0  0
    3.0832    9.8835    0.0000 C   0  0
    3.8287   11.1851    0.0000 C   0  0
    3.6981    8.5153    0.0000 C   0  0
    2.5873    7.5085    0.0000 C   0  0
    2.5924    6.0085    0.0000 C   0  0
    3.8941    5.2631    0.0000 F   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.8244   -8.3594    0.0000 C   0  0
   -3.3609   -9.7860    0.0000 C   0  0
   -1.8609   -9.7860    0.0000 C   0  0
   -1.3973   -8.3594    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
 17  8  1  0
 17 18  1  0
  6 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  5  1  0
 22 23  1  0
 23 24  2  0
 24  3  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 29  1  0
M  END
> <name>
Broad_2021

> <id>
33776

> <plate>
Plate_1

> <well>
D18

> <supplier_cmpd_name>
Cediranib

> <ctcr_id>
625

> <supplier_cmpd_id>
Cediranib

> <smiles>
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN5CCCC5

> <pd_targets>
{KDR,BTK,MET,EGFR,GAK,SRC,PRKD2,STK26,DDR1,HCK,MAP4K1,MERTK,MAP4K3,ERBB2,ERN1,CSNK1E,ABL1,PDGFRB,MAP3K19,MAP4K4,DDR2,EPHA3,YES1,PTK6,PLK4,TYRO3,FGFR1,RIPK2,MAP4K2,KIT,FER,PDGFRA,SLK,BLK,ERBB4,AURKB,CS
F1R,EPHA1,LCK,TIE1,SIK2,MAPK14,LTK,TAOK3,FRK,RET,MAP2K2,MAP2K5,FGFR2,STK35,ACVR1B,AXL,EIF2AK1,FLT1,LYN,FYN,FGR,TGFBR1,FGFR3,FLT3,FLT4,MAP4K5,EPHA6,ACVR1,CHEK2,MINK1,MST1R,ABL2,EPHA8,TEK,CAMK2B,ALK,EPH
B4,EPHB6,AURKC,TNIK,TAOK2,EPHA7,STK33,FGFR4,STK3,STK4,ERBB3,SYK,STK10,TAOK1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,Transferase,"Protein Kinase","TK protein kinase group","Other protein kinase group","CAMK protein kinase group","STE protein kinase group","CK1 protein kinase gro
up","TKL protein kinase group","CMGC protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Met family","Tyrosine protein kinase EGF
R family","Other protein kinase NAK family","Tyrosine protein kinase Src family","CAMK protein kinase PKD family","STE protein kinase STE20 family","Tyrosine protein kinase DDR family","Tyrosine prote
in kinase Axl family","CK1 protein kinase CK1 family","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR family","STE protein kinase STE11 family","Tyrosine protein kinase Eph family"
,"Other protein kinase PLK family","Tyrosine protein kinase FGFR family","TKL protein kinase RIPK family","Tyrosine protein kinase Fer family","Other protein kinase AUR family","Tyrosine protein kinas
e Tie family","CAMK protein kinase CAMK1 family","CMGC protein kinase MAPK family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Ret family","STE protein kinase STE7 family","Other pro
tein kinase NKF4 family","TKL protein kinase STKR family","Other protein kinase PEK family","CAMK protein kinase RAD53 family","CAMK protein kinase CAMK2 family","CAMK protein kinase unique family","T
yrosine protein kinase Syk family","STE protein kinase YSK subfamily","STE protein kinase KHS subfamily","STE protein kinase MSN subfamily","STE protein kinase SLK subfamily","CAMK protein kinase QIK 
subfamily","CMGC protein kinase p38 subfamily","STE protein kinase TAO subfamily","TKL protein kinase STKR Type 1 subfamily","Other protein kinase HRI","Tyrosine protein kinase SrcA","TKL protein kina
se STKR1","STE protein kinase MST subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kina
ses","CK1: Casein kinase 1","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TK: Tyrosine kinase","Other protein kinases","Protein kinase D (PKD) family","STE20 family","Casein kinase 1 (CK1) family",
"TKL: Tyrosine kinase-like","CAMK-like (CAMKL) family","Mitogen-activated protein kinases (MAP kinases)","STE7 family","CAMK2 family","CAMK-unique family","Receptor tyrosine kinases (RTKs)","Non-recep
tor tyrosine kinases (nRTKs)","Numb-associated kinase (NAK) family","YSK subfamily","KHS subfamily","IRE family","STE20 subfamily","MSN subfamily","Polo-like kinase (PLK) family","Receptor interacting
 protein kinase (RIPK) family","SLK subfamily","Aurora kinase (Aur) family","QIK subfamily","p38 subfamily","TAO subfamily","NKF4 family","Receptor serine/threonine kinase (RSTK) family","PEK family",
"CHK1 subfamily","MST subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Tec family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type I RTKs: ErbB
 (epidermal growth factor) receptor family","Src family","Type XVI RTKs: DDR (collagen receptor) family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Abl family","Type III RTKs: PDG
FR",CSFR,Kit,"FLT3 receptor family","Type XIII RTKs: Ephrin receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Fer family","Type XII RTKs: TIE family of angiopoietin recep
tors","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XIV RTKs: RET","Type I receptor serine/threonine kinases","Other PEK family kinases","Syk family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Developmental Biology","Vesicle-mediated transport",Metabolism,"Programmed Cell Death","Extracellular matrix organization",Hemostasis,"Metabolism of proteins","Cell Cyc
le","Cellular responses to external stimuli","Immune System","Gene expression (Transcription)","Neuronal System","Signaling by Receptor Tyrosine Kinases","Infectious disease","Nervous system developme
nt","Signaling by GPCR","Membrane Trafficking","Metabolism of lipids",Apoptosis,"Non-integrin membrane-ECM interactions","Cell surface interactions at the vascular wall","Unfolded Protein Response (UP
R)",Mitotic,"Intracellular signaling by second messengers","Cellular responses to stress","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","RNA
 Polymerase II Transcription","Transmission across Chemical Synapses","Signaling by NODAL","MAPK family signaling cascades","Signaling by Hippo","Signaling by VEGF","Leishmania infection","Axon guidan
ce","GPCR downstream signalling","trans-Golgi Network Vesicle Budding","Signaling by NTRKs","Sphingolipid metabolism","Apoptotic execution phase","HIV Infection","IRE1alpha activates chaperones","Mito
tic G2-G2/M phases","PIP3 activates AKT signaling","Cellular Senescence","Mitotic G1 phase and G1/S transition","Signaling by FGFR in disease","Toll-like Receptor Cascades","Signaling by KIT in diseas
e","Signaling by SCF-KIT","Signaling by PDGFR in disease","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","Regulation of signaling by NODAL"
,"Response of EIF2AK1 (HRI) to heme deficiency","Signaling by TGF-beta Receptor Complex in Cancer","Signaling by Insulin receptor","Signaling by MST1","MAPK1/MAPK3 signaling","Signaling by FGFR","Neut
rophil degranulation","VEGFA-VEGFR2 Pathway","Parasite infection","Semaphorin interactions","G alpha (q) signalling events","Golgi Associated Vesicle Biogenesis","Signaling by NTRK1 (TRKA)","Sphingoli
pid de novo biosynthesis","Apoptotic cleavage of cellular proteins","Host Interactions of HIV factors","G2/M Transition","Negative regulation of the PI3K/AKT network","Oxidative Stress Induced Senesce
nce","EPH-Ephrin signaling","Leishmania parasite growth and survival","G1 Phase","Signaling by FGFR1 in disease","Toll Like Receptor 5 (TLR5) Cascade","Drug resistance of KIT mutants","Drug resistance
 of PDGFR mutants","Transcriptional regulation by RUNX1","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Transcriptional Regulation by VENTX","PTEN Regulation"
,"RET signaling","Signaling by FGFR2 in disease","VEGF ligand-receptor interactions","Loss of Function of SMAD2/3 in Cancer","Signaling by FGFR3 in disease","Insulin receptor signalling cascade","Tran
scriptional Regulation by TP53","Signaling by ROBO receptors","RAF/MAP kinase cascade","Signaling by FGFR4","VEGFR2 mediated cell proliferation","Leishmania phagocytosis","Sema4D in semaphorin signali
ng","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","The role of Nef in HIV-1 replication and disease pathogenesis","Centrosome maturation",PI5P,"PP2A and IER3 Regulate PI3K/AK
T Signaling","EPHA-mediated growth cone collapse","Anti-inflammatory response favouring Leishmania parasite infection","Cyclin D associated events in G1","FGFR1 mutant receptor activation","MyD88 casc
ade initiated on plasma membrane","Dasatinib-resistant KIT mutants","Imatinib-resistant PDGFR mutants","RUNX1 regulates transcription of genes involved in BCR signaling","Post NMDA receptor activation
 events","Mitotic Anaphase","Regulation of PTEN stability and activity","Signalling to ERK5","FGFR2 mutant receptor activation","VEGF binds to VEGFR leading to receptor dimerization","SMAD2/3 Phosphor
ylation Motif Mutants in Cancer","Signaling by FGFR3 point mutants in cancer","IRS-mediated signalling","Regulation of TP53 Activity","Role of ABL in ROBO-SLIT signaling","EPHB-mediated forward signal
ing","Downstream signaling of activated FGFR4","FCGR3A-mediated phagocytosis","Sema4D mediated inhibition of cell attachment and migration","EGFR Transactivation by Gastrin","Signalling to RAS","Nef a
nd signal transduction","Sema4D induced cell migration and growth-cone collapse","Loss of proteins required for interphase microtubule organization from the centrosome","FCGR3A-mediated IL10 synthesis
","Signaling by activated point mutants of FGFR1","MAP kinase activation","Long-term potentiation","Separation of Sister Chromatids","Nef-mediates down modulation of cell surface receptors by recruiti
ng them to clathrin adapters","Prolonged ERK activation events","Activated point mutants of FGFR2","FGFR3 mutant receptor activation","PI3K Cascade","Regulation of TP53 Expression and Degradation","CR
EB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","FRS-mediated FGFR4 signaling","p38MAPK events","Loss of Nlp from mitotic centrosomes","activated TAK1 mediates p38 MAPK
 activation","Nef Mediated CD4 Down-regulation","MAPK targets/ Nuclear events mediated by MAP kinases","Frs2-mediated activation","Signaling by activated point mutants of FGFR3","Regulation of TP53 De
gradation","Ras activation upon Ca2+ influx through NMDA receptor","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{CSF1R,FLT1,FLT3,FLT4,KDR,KIT,PDGFRA,PDGFRB}

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

> <synonyms>
{Cediranib,288383-20-0,288383200,"288383 20 0",Recentin,AZD2171,Cedirannib,"Cediranib (AZD2171)","AZD 2171",AZD-2171,"Cediranib (AZD217)",UNII-NQU9IPY4K9,UNIINQU9IPY4K9,"UNII NQU9IPY4K9","Cediranib fr
ee base",NQU9IPY4K9,ZD-2171,ZD2171,"ZD 2171","AZD-2171 maleate","AZD2171 maleate","AZD 2171 maleate",CHEMBL491473,"288383-20-0 (free base)","288383200 (free base)","288383 20 0 (free base)",NSC-732208
,NSC732208,"NSC 732208",C25H27,T2500,S1017,cediranib,Cediranib(AZD2171),CEDIRANIB}

> <pdid>
PD003639

> <targets>
{VEGFR-PDGFR,"VEGFR Inhibitors"}

> <classes>
{}

> <pubchem_cids>
{9933475}

$$$$
Broad_2021
  SciTegic11012413022D

 15 13  0  0  0  0            999 V2000
   11.4987   -0.7504    0.0000 Pt  0  2
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    6.3987    1.1246    0.0000 O   0  5
    6.3987   -0.3754    0.0000 C   0  0
    5.0994   -1.1250    0.0000 O   0  0
    7.6987   -1.1254    0.0000 C   0  0
    7.6987   -2.6254    0.0000 O   0  5
    8.9980   -0.3758    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 13 15  2  0
M  CHG  3   1   2  10  -1  14  -1
M  END
> <name>
Broad_2021

> <id>
33777

> <plate>
Plate_1

> <well>
E18

> <supplier_cmpd_name>
Oxaliplatin

> <ctcr_id>
2136

> <supplier_cmpd_id>
Oxaliplatin

> <smiles>
[Pt++].NC1CCCCC1N.[O-]C(=O)C([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{3671-39-4,3671394,61913-68-6,61913686,"S-Ropivacaine Mesilate","SRopivacaine Mesilate","cis-1,2-Diaminocyclohexanemalonatoplatinum(II)","cis1,2Diaminocyclohexanemalonatoplatinum(II)","cyclohexane-1,2
-diamine; oxalate; platinum(2+)","cyclohexane1,2diamine; oxalate; platinum(2+)","Platinum, (cis-cyclohexane-1,2-diammine)malonato-","Platinum, (ciscyclohexane1,2diammine)malonato",SCHEMBL965059,Platin
um,(cis-cyclohexane-1,(ciscyclohexane1,2-diammin,2diammin,T0164,S1224,Oxaliplatin}

> <pdid>
PD039104

> <targets>
{"DNA/RNA Synthesis"}

> <classes>
{"DNA Damage"}

> <pubchem_cids>
{77994}

$$$$
Broad_2021
  SciTegic11012413022D

 38 44  0  0  0  0            999 V2000
    5.9821    0.3199    0.0000 N   0  0
    6.2343   -1.1588    0.0000 C   0  0
    7.5748   -1.8319    0.0000 N   0  0
    7.3489   -3.3148    0.0000 C   0  0
    8.4123   -4.3702    0.0000 N   0  0
    8.0303   -5.8216    0.0000 C   0  0
    9.0935   -6.8797    0.0000 C   0  0
    8.7088   -8.3296    0.0000 C   0  0
    7.2599   -8.7222    0.0000 C   0  0
    7.0956  -10.2131    0.0000 C   0  0
    5.8274  -11.0143    0.0000 C   0  0
    4.4104  -10.5223    0.0000 C   0  0
    3.9116   -9.1076    0.0000 C   0  0
    4.7066   -7.8356    0.0000 C   0  0
    6.1967   -7.6641    0.0000 C   0  0
    6.5823   -6.2134    0.0000 C   0  0
    3.3518  -11.5860    0.0000 N   0  0
    3.6830  -13.0397    0.0000 C   0  0
    2.3865  -13.7940    0.0000 C   0  0
    1.2684  -12.7940    0.0000 C   0  0
    1.8740  -11.4217    0.0000 C   0  0
    5.8687   -3.5582    0.0000 N   0  0
    5.2015   -2.2290    0.0000 N   0  0
    3.7175   -2.0053    0.0000 C   0  0
    3.1695   -0.6090    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1695   -0.6090    0.0000 C   0  0
   -3.7175   -2.0053    0.0000 C   0  0
   -2.7822   -3.1781    0.0000 C   0  0
   -1.2990   -2.9545    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.2990   -2.9545    0.0000 N   0  0
    2.7822   -3.1780    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  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  1  0
 14 15  1  0
 15  9  1  0
 15 16  2  0
 16  6  1  0
 12 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 17  1  0
  4 22  2  0
 22 23  1  0
 23  2  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 35 36  1  0
 36 26  2  0
 36 37  1  0
 37 38  2  0
 38 24  1  0
M  END
> <name>
Broad_2021

> <id>
33778

> <plate>
Plate_1

> <well>
F18

> <supplier_cmpd_name>
Bemcentinib

> <ctcr_id>
7661

> <supplier_cmpd_id>
Bemcentinib

> <smiles>
Nc1nc(Nc2ccc3CCC(CCc3c2)N4CCCC4)nn1c5cc6CCCc7ccccc7c6nn5

> <pd_targets>
{AXL,FLT3,EGFR,ALK,SRC,RET,KIT,TYRO3,MERTK,AURKA,MET,AURKB,DDR1,KDR,PDGFRA}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","Other protein kinase group","Tyrosine protein kinase Axl family","Tyrosine protein kinase PDGFR family","Tyrosine 
protein kinase EGFR family","TKL protein kinase STKR family","Tyrosine protein kinase Src family","Tyrosine protein kinase Ret family","Other protein kinase AUR family","Tyrosine protein kinase Met fa
mily","Tyrosine protein kinase DDR family","Tyrosine protein kinase VEGFR family","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Other protein kinases","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Aurora kinase (Aur) family
","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XIX RTKs: Le
ukocyte tyrosine kinase (LTK) receptor family","Src family","Type XIV RTKs: RET","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XVI RTKs: DDR (collagen receptor) family","Type IV 
RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology",Disease,Hemostasis,"Gene expression (Transcription)","Cell Cycle","Extracellular matrix organization","Signaling by Receptor Tyrosine Kinases","Signaling
 by GPCR","Nervous system development","Diseases of signal transduction by growth factor receptors and second messengers","Cell surface interactions at the vascular wall","RNA Polymerase II Transcript
ion",Mitotic,"Non-integrin membrane-ECM interactions","Signaling by VEGF","Signaling by Insulin receptor","GPCR downstream signalling","Signaling by NTRKs","Axon guidance","Signaling by KIT in disease
","Generic Transcription Pathway","M Phase","Signaling by PDGFR in disease","VEGFA-VEGFR2 Pathway","Insulin receptor signalling cascade","G alpha (q) signalling events","Signaling by NTRK1 (TRKA)","RE
T signaling","Drug resistance of KIT mutants","Transcriptional Regulation by TP53","Semaphorin interactions","Mitotic Metaphase and Anaphase","Drug resistance of PDGFR mutants","IRS-mediated signallin
g","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","Dasatinib-resistant KIT mutants","Regulation of TP53 Activity","Sema4D in semaphorin signaling","Mitotic Anaphase","VEGFR2 m
ediated cell proliferation","Imatinib-resistant PDGFR mutants","PI3K Cascade","EGFR Transactivation by Gastrin","Signalling to RAS","Regulation of TP53 Activity through Phosphorylation","Sema4D mediat
ed inhibition of cell attachment and migration","Separation of Sister Chromatids","p38MAPK events"}

> <broad_targets>
{AXL}

> <broad_moa>
{"AXL kinase inhibitor"}

> <synonyms>
{BCP21180,C30H34N8,Bemcentinib,R428,1037624-75-1,1037624751,BGB324,R-428,BGB-324,UNII-0ICW2LX8AS,UNII0ICW2LX8AS,0ICW2LX8AS,CHEMBL3809489,SYN1131,CS-1046,CS1046,HY-15150,HY15150,QC-11751,QC11751,"R 428
",W-5845,W5845,"Bemcentinib (USAN)","R428 (BGB324)","Bemcentinib (USAN/INN)",BemcentinibR428BGB,T6269,S2841,SY-R428}

> <pdid>
PD003525

> <targets>
{Axl,"TAM Receptor"}

> <classes>
{Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{46215462}

$$$$
Broad_2021
  SciTegic11012413022D

 40 43  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
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8979    3.7504    0.0000 C   0  0
   -5.1969    4.5004    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0897    3.7657    0.0000 O   0  0
  -10.3910    3.0180    0.0000 C   0  0
  -11.6897    3.7702    0.0000 C   0  0
  -12.9914    3.0247    0.0000 C   0  0
  -14.2878    3.7792    0.0000 C   0  0
  -14.2827    5.2792    0.0000 C   0  0
  -12.9811    6.0247    0.0000 C   0  0
  -11.6846    5.2703    0.0000 N   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Cl  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 C   0  0
   -3.9117   -8.2482    0.0000 N   0  0
   -3.9148   -9.7482    0.0000 C   0  0
   -5.2094   -7.4959    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  3  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 17 26  1  0
 26 27  1  0
 26 28  2  0
 28 14  1  0
 12 29  2  0
 29  6  1  0
 29 30  1  0
 30 31  2  0
 31  4  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
M  END
> <name>
Broad_2021

> <id>
33779

> <plate>
Plate_1

> <well>
G18

> <supplier_cmpd_name>
Neratinib

> <ctcr_id>
7187

> <supplier_cmpd_id>
Neratinib

> <smiles>
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C

> <pd_targets>
{PTK2,DSTYK,MERTK,INSR,EIF2AK4,MINK1,ERBB2,HIPK4,EGFR,KDR,FER,ERBB3,FES,FLT3,MELK,RPS6KA2,TNK2,MAP3K11,GAK,STK10,CDK16,STK35,MAP4K3,MAP4K4,STK3,MAP3K10,MAP4K2,STK17A,CSNK1G3,MAP3K3,SYK,CSNK1G2,MAPK8,W
EE1,STK24,MAP4K5,MAP2K7,MAP3K20,SIK2,STK32B,CAMK1D,MAP2K5,PTK2B,MET,BLK,SIK1,INSRR,TNIK,TAOK3,MAP2K2,ERBB4,MAP3K4,MAP3K9,MAP3K19,PRKD3,STK4,PRKD2,STK33,ABL1,FGR,SRC,MAP2K1,MAP3K13,STK17B,EPHB6,CHEK2,P
AK2,LCK,YES1,LYN,PAK1,MAPK10,TXK,CSK,MAP4K1,CSNK1E,NEK3,CHEK1,CDK7,MAP3K2,SLK,BTK,MAP3K12,STK25,STK36,CSF1R,TIE1,HCK,TEK,FYN,AXL,WEE2,NUAK1,MAST1,MST1R,JAK3,NEK2,PRKD1,PAK6,RPS6KA1,STK26,IRAK1,NUAK2,A
BCC4,ABCB11}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transporter,Kinase,"Primary active transporter","Protein Kinase","ATP-binding cassette","TK protein kinase group","Other protein kinase group","STE protein kinase group"
,"CMGC protein kinase group","CAMK protein kinase group","AGC protein kinase group","TKL protein kinase group","CK1 protein kinase group","ABCC subfamily","ABCB subfamily","Tyrosine protein kinase Fak
 family","Tyrosine protein kinase Axl family","Tyrosine protein kinase InsR family","Other protein kinase PEK family","STE protein kinase STE20 family","Tyrosine protein kinase EGFR family","CMGC prot
ein kinase DYRK family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Fer family","Tyrosine protein kinase PDGFR family","CAMK protein kinase CAMK1 family","AGC protein kinase RSK fa
mily","Tyrosine protein kinase Ack family","TKL protein kinase MLK family","Other protein kinase NAK family","CMGC protein kinase CDK family","Other protein kinase NKF4 family","CAMK protein kinase DA
PK family","CK1 protein kinase CK1 family","STE protein kinase STE11 family","Tyrosine protein kinase Syk family","CMGC protein kinase MAPK family","Other protein kinase WEE family","STE protein kinas
e STE7 family","AGC protein kinase YANK family","Tyrosine protein kinase Met family","Tyrosine protein kinase Src family","CAMK protein kinase PKD family","CAMK protein kinase unique family","Tyrosine
 protein kinase Abl family","CAMK protein kinase RAD53 family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Csk family","Other protein kinase NEK family","Other protein kinase ULK fam
ily","Tyrosine protein kinase Tie family","AGC protein kinase MAST family","Tyrosine protein kinase JakA family","TKL protein kinase IRAK family","Other protein kinase GCN2 subfamily","STE protein kin
ase MSN subfamily","CMGC protein kinase HIPK subfamily","CAMK protein kinase MELK subfamily","AGC protein kinase RSK subfamily","TKL protein kinase MLK subfamily","STE protein kinase SLK subfamily","C
MGC protein kinase TAIRE subfamily","STE protein kinase KHS subfamily","STE protein kinase MST subfamily","CK1 protein kinase CK1-g","STE protein kinase MEKK2","CMGC protein kinase JNK subfamily","STE
 protein kinase YSK subfamily","CAMK protein kinase QIK subfamily","STE protein kinase TAO subfamily","TKL protein kinase LZK subfamily","STE protein kinase PAKA subfamily","Other protein kinase Nek1"
,"CAMK protein kinase CHK1 subfamily","CMGC protein kinase CDK7 subfamily","Tyrosine protein kinase SrcA","Other protein kinase WEE1","CAMK protein kinase NuaK subfamily","STE protein kinase PAKB subf
amily"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 ki
nases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase 1","ABCC subfamily","ABCB subfa
mily","TK: Tyrosine kinase","Other protein kinases","STE20 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CAMK-like (CAMKL) family","RSK family","TKL: Tyrosine
 kinase-like","Cyclin-dependent kinase (CDK) family","Death-associated kinase (DAPK) family","Casein kinase 1 (CK1) family","STE11 family","Mitogen-activated protein kinases (MAP kinases)","STE7 famil
y","YANK family","CAMK1 family","Protein kinase D (PKD) family","CAMK-unique family","MAST family","Non-receptor tyrosine kinases (nRTKs)","Other-unique family","Receptor tyrosine kinases (RTKs)","PEK
 family","MSN subfamily","HIPK subfamily","MELK subfamily","RSK subfamily","Mixed Lineage Kinase (MLK) family","Numb-associated kinase (NAK) family","SLK subfamily","TAIRE subfamily","NKF4 family","KH
S subfamily","MST subfamily","JNK subfamily","WEE family","YSK subfamily","QIK subfamily","TAO subfamily","STE20 subfamily","CHK1 subfamily","PAKA subfamily","NIMA (never in mitosis gene a)- related k
inase (NEK) family","CDK7 subfamily","Unc-51-like kinase (ULK) family","NuaK subfamily","PAKB subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","Fak family","Type XI RTKs: TAM (TYRO3
-","AXL- and MER-TK) receptor family","Type II RTKs: Insulin receptor family","GCN2 subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial g
rowth factor) receptor family","Fer family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Ack family","MLK subfamily","Syk family","Type X RTKs: HGF (hepatocyte growth factor) receptor famil
y","Src family","Abl family","LZK subfamily","Type XIII RTKs: Ephrin receptor family","Tec family","Csk family","Type XII RTKs: TIE family of angiopoietin receptors","Janus kinase (JakA) family"}

> <pathway_reactome>
{Disease,Hemostasis,"Signal Transduction","Cellular responses to external stimuli","Developmental Biology","Immune System","Vesicle-mediated transport",Metabolism,"Cell Cycle","Programmed Cell Death",
"Gene expression (Transcription)","Circadian Clock","DNA Repair","Neuronal System","Infectious disease","Cell surface interactions at the vascular wall","Intracellular signaling by second messengers",
"Cellular responses to stress","Nervous system development","Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","Innate Immune System","Diseases of signal transduction by growth factor recept
ors and second messengers","Membrane Trafficking","Signaling by Hippo","Cytokine Signaling in Immune system","Metabolism of lipids","Cell Cycle Checkpoints",Apoptosis,"RNA Polymerase II Transcription"
,Mitotic,"DNA Double-Strand Break Repair","MAPK family signaling cascades","Transmission across Chemical Synapses","Platelet activation","signaling and aggregation","Leishmania infection","PIP3 activa
tes AKT signaling","Response of EIF2AK4 (GCN2) to amino acid deficiency","Cellular Senescence","Axon guidance","GPCR downstream signalling","Signaling by VEGF","Signaling by SCF-KIT","Signaling by Ins
ulin receptor","Toll-like Receptor Cascades","Oncogenic MAPK signaling","trans-Golgi Network Vesicle Budding","Neutrophil degranulation","Signaling by Interleukins","Sphingolipid metabolism","G2/M Che
ckpoints","Apoptotic execution phase","Signaling by NTRKs","Generic Transcription Pathway","HIV Infection","Fc epsilon receptor (FCERI) signaling","Mitotic G2-G2/M phases","Homology Directed Repair","
MAPK1/MAPK3 signaling","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by MST1","Regulation of mitotic cell cycle","Response to elevated platelet cytosolic Ca2+","Metaboli
sm of steroids","Parasite infection","Negative regulation of the PI3K/AKT network","Oxidative Stress Induced Senescence","Semaphorin interactions","G alpha (q) signalling events","VEGFA-VEGFR2 Pathway
","Insulin receptor signalling cascade","Toll Like Receptor 5 (TLR5) Cascade","Signaling by RAS mutants","Golgi Associated Vesicle Biogenesis","Interleukin-1 family signaling","Leishmania parasite gro
wth and survival","Sphingolipid de novo biosynthesis","G2/M DNA damage checkpoint","Apoptotic cleavage of cellular proteins","Signaling by NTRK1 (TRKA)","Interleukin-2 family signaling","Transcription
al regulation by RUNX1","EPH-Ephrin signaling","Transcriptional Regulation by TP53","Host Interactions of HIV factors","FCERI mediated Ca+2 mobilization","G2/M Transition","HDR through Homologous Reco
mbination (HRR) or Single Strand Annealing (SSA)","HIV Life Cycle","Transcriptional Regulation by VENTX","RAF/MAP kinase cascade","Activation of NMDA receptors and postsynaptic events","APC/C-mediated
 degradation of cell cycle proteins","Signaling by ROBO receptors","Platelet degranulation","Bile acid and bile salt metabolism","Leishmania phagocytosis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signali
ng","Sema4D in semaphorin signaling","Gastrin-CREB signalling pathway via PKC and MAPK","VEGFR2 mediated cell proliferation","CRMPs in Sema3A signaling","IRS-mediated signalling","MyD88 cascade initia
ted on plasma membrane","Signaling downstream of RAS mutants","Interleukin-1 signaling","Anti-inflammatory response favouring Leishmania parasite infection","Chk1/Chk2(Cds1) mediated inactivation of C
yclin B:Cdk1 complex","Signalling to ERK5","Interleukin-2 signaling","RUNX1 regulates transcription of genes involved in BCR signaling","Signalling to ERKs","EPHB-mediated forward signaling","Regulati
on of TP53 Activity","The role of Nef in HIV-1 replication and disease pathogenesis","Centrosome maturation","HDR through Homologous Recombination (HRR)","Late Phase of HIV Life Cycle","Post NMDA rece
ptor activation events","Interleukin-15 signaling","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Activation of RAC1","Synthesis of bile acids and bile salts","FCGR3A-
mediated phagocytosis","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by Gastrin","PI3K Cascade","MAP kinase activation","FCGR3A-mediated IL10 synthesis","Sema4D mediat
ed inhibition of cell attachment and migration","Prolonged ERK activation events","Signalling to RAS","Regulation of TP53 Expression and Degradation","Nef and signal transduction","Nef-mediates down m
odulation of cell surface receptors by recruiting them to clathrin adapters","Loss of proteins required for interphase microtubule organization from the centrosome","Homologous DNA Pairing and Strand 
Exchange","Transcription of the HIV genome","Long-term potentiation","Regulation of TP53 Activity through Phosphorylation","APC/C:Cdc20 mediated degradation of mitotic proteins","Synthesis of bile aci
ds and bile salts via 7alpha-hydroxycholesterol","MAPK targets/ Nuclear events mediated by MAP kinases","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Frs2-med
iated activation","p38MAPK events","Regulation of TP53 Degradation","Nef Mediated CD4 Down-regulation","Loss of Nlp from mitotic centrosomes","Presynaptic phase of homologous DNA pairing and strand ex
change","HIV Transcription Elongation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","activated TAK1 mediates p38 MAPK activation","CREB pho
sphorylation","Activation of the AP-1 family of transcription factors","Tat-mediated elongation of the HIV-1 transcript","APC-Cdc20 mediated degradation of Nek2A","Formation of HIV-1 elongation comple
x containing HIV-1 Tat"}

> <broad_targets>
{EGFR,ERBB2,KDR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{"ERATINIB (HKI272",Q-101402,Q101402,Q6995920,Neratinib,698387-09-6,698387096,HKI-272,HKI272,"Neratinib (HKI-272)","Neratinib (HKI272)",Nerlynx,"HKI 272",Neratinib(HKI-272),Neratinib(HKI272),UNII-JJH9
4R3PWB,UNIIJJH94R3PWB,PB-272,PB272,JJH94R3PWB,CHEMBL180022,"698387-09-6 (free base)","698387096 (free base)",WAY-179272,WAY179272,C30H29ClN6O3,"Neratinib (USAN:INN)",18404,S2150,neratinib}

> <pdid>
PD003298

> <targets>
{EGFR(HER),HER2,EGFR}

> <classes>
{}

> <pubchem_cids>
{9915743}

$$$$
Broad_2021
  SciTegic11012413022D

 31 34  0  0  0  0            999 V2000
   -2.6917   -6.3197    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 O   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0031    0.0000 O   0  0
    3.8976    0.7554    0.0000 O   0  0
    1.2449   -5.8157    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
    0.7130   -8.3588    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
   -1.7558   -9.1703    0.0000 C   0  0
   -1.2885  -10.5957    0.0000 F   0  0
   -3.2239   -8.8628    0.0000 F   0  0
   -2.7564  -10.2879    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  5  1  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 15  1  0
 10 21  1  0
 21 22  2  0
 21 23  1  0
  3 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27  2  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
M  END
> <name>
Broad_2021

> <id>
33780

> <plate>
Plate_1

> <well>
H18

> <supplier_cmpd_name>
GSK2636771

> <ctcr_id>
257

> <supplier_cmpd_id>
GSK2636771

> <smiles>
Cc1c(Cn2c(C)nc3c(cc(cc23)N4CCOCC4)C(=O)O)cccc1C(F)(F)F

> <pd_targets>
{PIK3CB}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by Insulin receptor","Insulin receptor signalling cascade","IRS-mediated signalling","PI3K Cascade"}

> <broad_targets>
{PIK3CB}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{HMS3749O03,GSK2636771,1372540-25-4,1372540254,GSK-2636771,UNII-DW94IAT0LS,UNIIDW94IAT0LS,DW94IAT0LS,"GSK 2636771","1372540-25-4 (free base)","1372540254 (free base)",cc-414,cc414,MLS006011177,GTPL796
7,SCHEMBL1280998,CHEMBL3188551,DTXSID10160124,EX-A434,EXA434,QCR-187,QCR187,HMS3653H17,HMS3673E13,AMY24240,AOB87319,T2073,17380,S8002}

> <pdid>
PD003642

> <targets>
{PI3K}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{56949517}

$$$$
Broad_2021
  SciTegic11012413022D

 24 25  0  0  0  0            999 V2000
    7.7882   -3.0088    0.0000 C   0  0
    6.4894   -3.7592    0.0000 C   0  0
    6.4889   -5.2601    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Br  0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.2941   -3.7521    0.0000 C   0  0
   -0.0063   -4.4998    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4837   -8.2663    0.0000 C   0  0
    6.4785   -9.7663    0.0000 C   0  0
    5.1769  -10.5118    0.0000 C   0  0
    3.8804   -9.7573    0.0000 C   0  0
    3.8856   -8.2573    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 10  1  0
  8 17  1  0
 17 18  3  0
  4 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  END
> <name>
Broad_2021

> <id>
33781

> <plate>
Plate_1

> <well>
I18

> <supplier_cmpd_name>
Degrasyn

> <ctcr_id>
850

> <supplier_cmpd_id>
Degrasyn

> <smiles>
CCCC(NC(=O)C(=Cc1cccc(Br)n1)C#N)c2ccccc2

> <pd_targets>
{USP9X,UCHL1,USP5}

> <pathway_gtopdb>
{Enzyme,Protease,"Cysteine protease","Cysteine protease CA clan","Cysteine protease C19 family","Cysteine protease C12 family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","CA: Cysteine (C) Peptidases","C12: Ubiquitin C-terminal hydrolase","C19: Ubiquitin-specific protease"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins","RNA Polymerase II Transcription","Post-translational protein modification","Generic Transcription Pathway",Deubiquitination,"Transcriptiona
l activity of SMAD2/SMAD3:SMAD4 heterotrimer","UCH proteinases","Ub-specific processing proteases","Downregulation of SMAD2/3:SMAD4 transcriptional activity"}

> <broad_targets>
{JAK2,UCHL5,USP14,USP9X}

> <broad_moa>
{"deubiquitinase inhibitor"}

> <synonyms>
{CHEMBL2138527,HMS3655P14,BCP02590,T6300,S2243,Degrasyn,WP1130,"Degrasyn (WP1130)"}

> <pdid>
PD003660

> <targets>
{DUB,Bcr-Abl}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{72757535}

$$$$
Broad_2021
  SciTegic11012413022D

 30 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
   -2.5981   -1.5000    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3070   -5.2502    0.0000 C   0  0
    0.0093   -6.0025    0.0000 O   0  0
    2.6078   -5.9988    0.0000 O   0  0
    2.6109   -7.4988    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6557    3.1292    0.0000 C   0  0
   -3.6587    4.2446    0.0000 N   0  0
   -2.9079    5.5431    0.0000 N   0  0
   -1.4409    5.2303    0.0000 C   0  0
   -0.3196    6.2267    0.0000 O   0  0
   -3.5174    6.9145    0.0000 C   0  0
   -4.9883    7.1823    0.0000 C   0  0
   -5.4927    8.5949    0.0000 C   0  0
   -4.5215    9.7380    0.0000 C   0  0
   -3.0459    9.4685    0.0000 C   0  0
   -2.5415    8.0559    0.0000 C   0  0
   -2.9598    1.6604    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10  4  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
  6 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  1  0
 22 18  1  0
 22 23  2  0
 21 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 19 30  1  0
M  END
> <name>
Broad_2021

> <id>
33782

> <plate>
Plate_1

> <well>
J18

> <supplier_cmpd_name>
SJ-172550

> <ctcr_id>
7650

> <supplier_cmpd_id>
SJ-172550

> <smiles>
CCOc1cc(cc(Cl)c1OCC(=O)OC)\C=C2/C(=NN(C2=O)c3ccccc3)C

> <pd_targets>
{MDM2,MDM4}

> <pathway_gtopdb>
{Enzyme,"Unclassified 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>
{MDM4}

> <broad_moa>
{"MDM inhibitor"}

> <synonyms>
{SJ-172550,SJ172550,431979-47-4,431979474,"SJ 172550",MLS006011707,CHEMBL4303491,SCHEMBL22092449,SCHEMBL22092451,ZINC1145764,STK165480,AKOS000330842,CS-3177,CS3177,"CID 1317464",HY-16664,HY16664,SMR00
4703434,3929,nan}

> <pdid>
PD003614

> <targets>
{MDM4,E1/E2/E3 Enzyme,MDM-2/p53}

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

> <pubchem_cids>
{1317464}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33783

> <plate>
Plate_1

> <well>
K18

> <supplier_cmpd_name>
Venetoclax

> <ctcr_id>
2664

> <supplier_cmpd_id>
Venetoclax

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 22 21  0  0  1  0            999 V2000
   14.0837   -5.2594    0.0000 O   0  0
   11.5837   -5.2594    0.0000 Na  0  3
    7.7790  -12.0185    0.0000 O   0  5
    7.7821  -10.5185    0.0000 C   0  0
    9.0829   -9.7716    0.0000 O   0  0
    6.4833   -9.7656    0.0000 C   0  0  1  0  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 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.0988   -9.6968    0.0000 C   0  0
    5.8467  -10.9971    0.0000 O   0  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  1
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 14  1  0
  6 21  1  0
 21 22  1  0
 22  6  1  0
M  CHG  2   2   1   3  -1
M  END
> <name>
Broad_2021

> <id>
33784

> <plate>
Plate_1

> <well>
L18

> <supplier_cmpd_name>
Etomoxir

> <ctcr_id>
8303

> <supplier_cmpd_id>
Etomoxir

> <smiles>
O.[Na+].[O-]C(=O)[C@@]1(CCCCCCOc2ccc(Cl)cc2)CO1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"(+)-Etomoxir sodium salt hydrate","(+)Etomoxir sodium salt hydrate","Etomoxir (sodium salt)","(R)-(+)-Etomoxir (sodium salt)","(R)(+)Etomoxir (sodium salt)","(+)-Etomoxir sodium salt","(+)Etomoxir s
odium salt",C15H18ClO4.Na.H2O,2828AH,MFCD11044452,"sodium (R)-2-(6-(4-chlorophenoxy)hexyl)oxirane-2-carboxylate hydrate","sodium (R)2(6(4chlorophenoxy)hexyl)oxirane2carboxylate hydrate",E1905,etomoxir
,(+)Etomoxir(sodiumsalt),(+)­-Etomoxir(sodiumsalt)}

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{23675376}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33785

> <plate>
Plate_1

> <well>
M18

> <supplier_cmpd_name>
Dasatinib

> <ctcr_id>
6468

> <supplier_cmpd_id>
Dasatinib

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 26 28  0  0  0  0            999 V2000
    6.3868   -4.3485    0.0000 C   0  0
    5.5026   -3.1368    0.0000 C   0  0
    6.1103   -1.7655    0.0000 C   0  0
    4.0102   -3.2959    0.0000 C   0  0
    3.1255   -2.0835    0.0000 C   0  0
    3.7332   -0.7121    0.0000 O   0  0
    1.6332   -2.2426    0.0000 N   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 N   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.9615   -1.9133    0.0000 C   0  0
   -3.1750   -1.0316    0.0000 N   0  0
   -4.5990   -1.4976    0.0000 C   0  0
   -5.7155   -0.4959    0.0000 O   0  0
   -4.9089   -2.9661    0.0000 C   0  0
   -6.3339   -3.4347    0.0000 C   0  0
   -6.6406   -4.9030    0.0000 C   0  0
   -5.5224   -5.9028    0.0000 N   0  0
   -5.8292   -7.3711    0.0000 C   0  0
   -4.0975   -5.4343    0.0000 C   0  0
   -3.7907   -3.9660    0.0000 C   0  0
   -2.7115    0.3949    0.0000 C   0  0
   -2.0807    1.7558    0.0000 C   0  0
   -4.2009    0.2164    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12  8  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 17  1  0
 14 24  1  0
 24 11  1  0
 24 25  1  0
 24 26  1  0
M  END
> <name>
Broad_2021

> <id>
33786

> <plate>
Plate_1

> <well>
N18

> <supplier_cmpd_name>
PHA-793887

> <ctcr_id>
579

> <supplier_cmpd_id>
PHA-793887

> <smiles>
CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C3CCN(C)CC3)C2(C)C

> <pd_targets>
{CCNE1,CDK2,CCNH,CDK7,CCND1,CDK4,GSK3B,CCNT1,CDK9,CCNA1,CCNA2,CCNB1,CDK1,CDK5,CDK5R1,CDK10,CDK11B,CDK12,CDK13,CDK14,CDK15,CDK16,CDK17,CDK18,CDK19,CDK20,CDK3,CDK6,CDK8}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase CDK family","CMGC protein kinase GSK family","CMGC protein kinase CDC2 subfamily","CMGC protein kinase CDK7 subfamily",
"CMGC protein kinase CDK9 subfamily"}

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

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

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HA79388,DB12686,NSC-800851,NSC800851,PHA-793887,PHA793887,718630-59-2,718630592,UNII-MKS45S912B,UNIIMKS45S912B,MKS45S912B,CHEMBL1230607,"718630-59-2 (free base)","718630592 (free base)","PHA 793887",
C19H31N5O2,cc-404,cc404,MLS006010173,SCHEMBL5110328,CHEBI:91371,DTXSID50222134,BCPP000110,HMS3265M13,HMS3265M14,HMS3265N13,HMS32,T2113,S1487}

> <pdid>
PD003377

> <targets>
{CDK,Apoptosis}

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

> <pubchem_cids>
{46191454}

$$$$
Broad_2021
  SciTegic11012413022D

 25 26  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 O   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -3.9005    5.2525    0.0000 C   0  0
   -2.6017    6.0029    0.0000 O   0  0
   -5.2002    6.0029    0.0000 N   0  0
   -5.2012    7.5037    0.0000 C   0  0
   -6.4992    8.2556    0.0000 C   0  0
   -6.4971    9.7556    0.0000 C   0  0
   -5.1970   10.5038    0.0000 C   0  0
   -5.1980   12.0046    0.0000 C   0  0
   -3.8992   12.7551    0.0000 O   0  0
   -6.4970   12.7546    0.0000 O   0  0
   -3.8990    9.7520    0.0000 C   0  0
   -2.5989   10.5002    0.0000 O   0  0
   -3.9011    8.2520    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 19 23  1  0
 23 24  1  0
 23 25  2  0
 25 16  1  0
M  END
> <name>
Broad_2021

> <id>
33787

> <plate>
Plate_1

> <well>
O18

> <supplier_cmpd_name>
NSC 74859

> <ctcr_id>
4775

> <supplier_cmpd_id>
NSC 74859

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

> <pd_targets>
{STAT3,CTDSP1,SIRT5}

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

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

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

> <broad_targets>
{STAT3}

> <broad_moa>
{"STAT inhibitor"}

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

> <pdid>
PD003668

> <targets>
{STAT}

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

> <pubchem_cids>
{252682}

$$$$
Broad_2021
  SciTegic11012413022D

 30 33  0  0  0  0            999 V2000
   11.9152    5.0440    0.0000 N   0  0
   11.0702    3.8046    0.0000 C   0  0
   11.7211    2.4532    0.0000 C   0  0
   10.8761    1.2138    0.0000 C   0  0
    9.3803    1.3259    0.0000 C   0  0
    8.7295    2.6773    0.0000 C   0  0
    9.5744    3.9167    0.0000 C   0  0
    7.2328    2.7895    0.0000 S   0  0
    6.5824    4.1411    0.0000 O   0  0
    8.0780    4.0287    0.0000 O   0  0
    6.3855    1.5484    0.0000 N   0  0
    7.1347    0.2489    0.0000 C   0  0
    6.5858   -1.1471    0.0000 C   0  0
    5.1522   -1.5883    0.0000 C   0  0
    3.8990   -0.7508    0.0000 N   0  0
    3.8022    0.7533    0.0000 C   0  0
    4.9024    1.7729    0.0000 C   0  0
    2.5988   -1.5004    0.0000 S   0  0
    2.5983   -3.0004    0.0000 O   0  0
    3.8975   -2.2510    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  8 10  2  0
  8 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 11  1  0
 15 18  1  0
 18 19  2  0
 18 20  2  0
 18 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 29 30  2  0
 30 21  1  0
M  END
> <name>
Broad_2021

> <id>
33788

> <plate>
Plate_1

> <well>
P18

> <supplier_cmpd_name>
DASA-58

> <ctcr_id>
8257

> <supplier_cmpd_id>
DASA-58

> <smiles>
Nc1cccc(c1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)c3ccc4OCCOc4c3

> <pd_targets>
{PKM}

> <pathway_gtopdb>
{Enzyme}

> <pathway_chembl>
{Enzymes,"2.7.1.40 Pyruvate kinases"}

> <pathway_reactome>
{Metabolism,"Metabolism of carbohydrates","Glucose metabolism",Glycolysis}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ASA5,DASA-58,DASA58,1203494-49-8,1203494498,CHEMBL1089334,ML203,SCHEMBL12354635,CHEBI:93419,GTPL10556,HMS3873J13,BCP16322,EX-A2300,EXA2300,BDBM50361557,ML-203,s7928,ZINC36382543,CCG-269271,CCG269271,
"compound 1 (PMID: 21958545)",CS-5257,CS5257,NCGC00185916-01,NCGC0018591601,NCGC00185916-06,NCGC0018591606,AC-32925,AC32925,AK5,T6816,13941}

> <pdid>
PD003316

> <targets>
{PKM,"Pyruvate Kinase"}

> <classes>
{Metabolic Enzyme/Protease}

> <pubchem_cids>
{44543605}

$$$$
Broad_2021
  SciTegic11012413022D

 30 32  0  0  0  0            999 V2000
   15.0641   -0.5866    0.0000 Cl  0  0
   12.5641   -0.5866    0.0000 Cl  0  0
   10.0635    2.7467    0.0000 C   0  0
    9.0651    3.8661    0.0000 C   0  0
    9.5358    5.2904    0.0000 C   0  0
    7.5954    3.5619    0.0000 C   0  0
    6.5954    4.6799    0.0000 C   0  0
    5.1271    4.3729    0.0000 C   0  0
    4.6588    2.9478    0.0000 C   0  0
    3.1904    2.6376    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 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
   -3.8963   -3.7531    0.0000 N   0  0
   -3.8941   -5.2539    0.0000 C   0  0
   -4.6398   -6.4642    0.0000 C   0  0
   -3.1398   -6.4589    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 N   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.6590    1.8298    0.0000 C   0  0
    7.1272    2.1369    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 11  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 22  1  0
 20 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 14  1  0
 28 18  1  0
  9 29  1  0
 29 30  2  0
 30  6  1  0
M  END
> <name>
Broad_2021

> <id>
33789

> <plate>
Plate_1

> <well>
A19

> <supplier_cmpd_name>
SCH 79797 dihydrochloride

> <ctcr_id>
7601

> <supplier_cmpd_id>
SCH 79797 dihydrochloride

> <smiles>
Cl.Cl.CC(C)c1ccc(Cn2ccc3c2ccc4nc(NC5CC5)nc(N)c34)cc1

> <pd_targets>
{HSD17B10,ALOX15,HPGD,F2R,CYP2D6,RORC,TP53,CYP3A4,CYP1A2,KMT2A,MEN1,CYP2C19,LEF,MAPT,TSHR,FFP,KDM4E}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Transcription factor","Epigenetic regulator","Other cytosolic protein",Oxidoreductase,"Family A G protein-coupled receptor","Cytochrome P450","Nuclear receptor",Reader,Pro
tease,Transferase,Eraser,"Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Cytochrome P450 family 1",Bromodomain,"Metallo
 protease","Lysine demethylase","Protease-activated receptor","Cytochrome P450 family 2D","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Cytochrome P450 family 1A","Cytoch
rome P450 family 2C","Metallo protease MAE clan","Glycohormone receptor","Jumonji domain-containing","Cytochrome P450 2D6","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4"
,"Cytochrome P450 1A1","Cytochrome P450 2C19","Metallo protease M34 family"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","G protein-coupled receptors","Cytochrome P450","Nuclear hormone receptors","Chromatin modifying enzymes",Lipoxygenases,"Prostaglandin synthases","Proteinase-a
ctivated receptors","CYP2 family: drug metabolising subset","1F. Retinoic acid-related orphans","CYP3 family","CYP1 family","Glycoprotein hormone receptors","1.14.11.- Histone demethylases"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Gene expression (Transcription)","Cell Cycle",Disease,"Neuronal System","Metabolism of amino acids and derivatives","Metabolism of lipids","Signaling by GPCR","Biolo
gical oxidations","RNA Polymerase II Transcription","Cell Cycle Checkpoints","Infectious disease","Transmission across Chemical Synapses","Branched-chain amino acid catabolism","Biosynthesis of specia
lized proresolving mediators (SPMs)","GPCR ligand binding","Phase I - Functionalization of compounds","Generic Transcription Pathway","G1/S DNA Damage Checkpoints","Uptake and actions of bacterial tox
ins","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania infection","Biosynthesis of DPA-derived SPMs","Biosynthesis of DHA-derived SPMs","Class A/1 (Rhodopsin-like receptors
)","Cytochrome P450 - arranged by substrate type","Transcriptional regulation by RUNX3","p53-Dependent G1/S DNA damage checkpoint","Uptake and function of anthrax toxins","Activation of NMDA receptors
 and postsynaptic events","Leishmania parasite growth and survival","Biosynthesis of DPAn-3 SPMs","Biosynthesis of D-series resolvins","Peptide ligand-binding receptors",Xenobiotics,"RUNX3 Regulates I
mmune Response and Cell Migration","p53-Dependent G1 DNA Damage Response","Biosynthesis of maresins","Post NMDA receptor activation events","Anti-inflammatory response favouring Leishmania parasite in
fection","Biosynthesis of DPAn-3-derived protectins and resolvins","CYP2E1 reactions","Stabilization of p53","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated
 by CYP1A2","Activation of AMPK downstream of NMDARs","ADORA2B mediated anti-inflammatory cytokines production","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"SCH 79797 dihydrochloride",1216720-69-2,1216720692,"SCH79797 (dihydrochloride)",SCHEMBL17261836,DTXSID00662763,BCP21206,AKOS024456689,HY-14994,HY14994,CS-0003684,CS0003684,FT-0740734,FT0740734,SR-01
000597977,SR01000597977,J-004578,J004578,SR-01000597977-1,SR010005979771,"SCH 79797 2HCl;SCH-79797; SCH 79797; SCH79797","SCH 79797 2HCl;SCH79797; SCH 79797; SCH79797",1592,nan,"SCH 79797"}

> <pdid>
PD003515

> <targets>
{""}

> <classes>
{}

> <pubchem_cids>
{45073452}

$$$$
Broad_2021
  SciTegic11012413022D

 34 37  0  0  0  0            999 V2000
    7.7884    1.5181    0.0000 F   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 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
   -3.8994   -3.7478    0.0000 O   0  0
   -5.1981   -2.9955    0.0000 C   0  0
   -6.4993   -3.7433    0.0000 C   0  0
   -7.7980   -2.9910    0.0000 C   0  0
   -9.0993   -3.7387    0.0000 N   0  0
  -10.3984   -2.9888    0.0000 C   0  0
  -11.6975   -3.7388    0.0000 C   0  0
  -11.6975   -5.2388    0.0000 O   0  0
  -10.3985   -5.9888    0.0000 C   0  0
   -9.0994   -5.2388    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 N   0  0
    0.0049   -5.9994    0.0000 C   0  0
    1.3026   -5.2471    0.0000 O   0  0
    0.0080   -7.5002    0.0000 C   0  0
    1.3081   -8.2484    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    5.1852    3.0091    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  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 13 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  0
 24 30  1  0
 30 31  2  0
 31  7  1  0
 31 11  1  0
  5 32  1  0
 32 33  2  0
 33  2  1  0
 33 34  1  0
M  END
> <name>
Broad_2021

> <id>
33790

> <plate>
Plate_1

> <well>
B19

> <supplier_cmpd_name>
Canertinib

> <ctcr_id>
896

> <supplier_cmpd_id>
Canertinib

> <smiles>
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl

> <pd_targets>
{KIT,RIOK1,TXK,MKNK1,TEC,TGFBR1,TGFBR2,ABL1,SIK2,BLK,EGFR,LYN,MAP3K20,ABL2,EPHA4,EPHA8,SRMS,YES1,ERBB4,EPHA1,MAP3K4,MAP2K1,FLT1,BMP2K,MAP4K5,BMX,SRC,BTK,LCK,RIPK2,GAK,ITK,FLT3,CTSC,ERBB2,HCK,MINK1,PDG
FRB,SLK,MAPK4,IRAK3,EPHB1,MAPK9,EPHA3,AURKB,AURKC,STK36,FGR,PTK6,JAK3,MAP3K19,LRRK2,AXL,FRK,MKNK2,MAP3K3,STK17B,EPHB6,STK35,CSNK1D,TYRO3,COQ8B,TESK1,CIT,TNNI3K,EPHA5,MAPK6,COQ8A,ERBB3,DYRK2,MAP4K2,ACV
R1,MAPK14,RET,RPS6KA1,MAP3K2,LTK,FYN,EPHB2,MAPK10,STK10,EPHA6,DDR1,EPHA7,MET,PDGFRA,TIE1,ALK,TUBA1A,DYRK1A,MAP2K5,EPHB4,IRAK4,CSNK1E,CSK,MAP2K2,ULK3,HUNK,BMPR1B,HIPK4,IRAK1,MAP3K7,DMPK,STK17A,TNIK,MAP
2K7,SIK3}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Structural protein",Kinase,Protease,"Protein Kinase","Cysteine protease","TK protein kinase group","Atypical protein kinase group","CAMK protein kinase group","TKL prot
ein kinase group","STE protein kinase group","Other protein kinase group","Cysteine protease CA clan","CMGC protein kinase group","CK1 protein kinase group","AGC protein kinase group","Tyrosine protei
n kinase PDGFR family","Atypical protein kinase RIO family","Tyrosine protein kinase Tec family","CAMK protein kinase MAPKAPK family","TKL protein kinase STKR family","Tyrosine protein kinase Abl fami
ly","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Src family","Tyrosine protein kinase EGFR family","TKL protein kinase MLK family","Tyrosine protein kinase Eph family","STE protein kina
se STE11 family","STE protein kinase STE7 family","Tyrosine protein kinase VEGFR family","Other protein kinase NAK family","STE protein kinase STE20 family","TKL protein kinase RIPK family","Cysteine 
protease C1A family","CMGC protein kinase MAPK family","TKL protein kinase IRAK family","Other protein kinase AUR family","Other protein kinase ULK family","Tyrosine protein kinase JakA family","TKL p
rotein kinase LRRK family","Tyrosine protein kinase Axl family","CAMK protein kinase DAPK family","Other protein kinase NKF4 family","CK1 protein kinase CK1 family","Atypical protein kinase ABC1 famil
y","TKL protein kinase LISK family","AGC protein kinase DMPK family","CMGC protein kinase DYRK family","Tyrosine protein kinase Ret family","AGC protein kinase RSK family","Tyrosine protein kinase Alk
 family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Met family","Tyrosine protein kinase Tie family","Tyrosine protein kinase Csk family","Atypical protein kinase RIO1 subfamily","C
AMK protein kinase MNK subfamily","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase STKR Type 2 subfamily","CAMK protein kinase QIK subfamily","TKL protein kinase MLK subfamily","Tyrosine
 protein kinase Srm","STE protein kinase KHS subfamily","STE protein kinase MSN subfamily","STE protein kinase SLK subfamily","CMGC protein kinase ERK3","CMGC protein kinase JNK subfamily","STE protei
n kinase MEKK2","Atypical protein kinase ABC1-A subfamily","TKL protein kinase TESK subfamily","AGC protein kinase CRIK subfamily","TKL protein kinase HH498 subfamily","CMGC protein kinase Dyrk2 subfa
mily","TKL protein kinase STKR1","CMGC protein kinase p38 subfamily","AGC protein kinase RSK subfamily","Tyrosine protein kinase SrcA","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase HIPK s
ubfamily","TKL protein kinase TAK1 subfamily","AGC protein kinase GEK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Catalytic receptors","Kinases (EC 2.7.x.x)","Peptidases and proteinases",Tubulins,"Receptor kinases",Atypical,"CAMK: Calcium/calmodulin-dependent protein ki
nases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CA: Cysteine (C) Peptidases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","AGC: Containing PKA",P
KG,"PKC families","TK: Tyrosine kinase","RIO family","MAPK-Activated Protein Kinase (MAPKAPK) family","TKL: Tyrosine kinase-like","CAMK-like (CAMKL) family","STE11 family","STE7 family","Other protein
 kinases","STE20 family","C1: Papain","Mitogen-activated protein kinases (MAP kinases)","Death-associated kinase (DAPK) family","Casein kinase 1 (CK1) family","ABC1 family","DMPK family","Dual-specifi
city tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","RSK family","Receptor tyrosine kinases (RTKs)","RIO1 subfamily","Non-receptor tyrosine kinases (nRTKs)","MKN subfamily","Receptor ser
ine/threonine kinase (RSTK) family","QIK subfamily","Mixed Lineage Kinase (MLK) family","Numb-associated kinase (NAK) family","KHS subfamily","Receptor interacting protein kinase (RIPK) family","MSN s
ubfamily","SLK subfamily","ERK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","JNK subfamily","Aurora kinase (Aur) family","Unc-51-like kinase (ULK) family","STE20 subfamily","Leu
cine-rich repeat kinase (LRRK) family","NKF4 family","ABC1-B subfamily","LIM domain kinase (LISK) family","Other DMPK family kinases","Dyrk2 subfamily","p38 subfamily","RSK subfamily","Dyrk1 subfamily
","HUNK subfamily","HIPK subfamily","GEK subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Tec family","Type I receptor serine/threonine kinases","Type II receptor serine/threonine ki
nases","Abl family","Src family","Type I RTKs: ErbB (epidermal growth factor) receptor family","MLK subfamily","Type XIII RTKs: Ephrin receptor family","Type IV RTKs: VEGF (vascular endothelial growth
 factor) receptor family","Janus kinase (JakA) family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","TESK subfamily","HH498 subfamily","Type XIV RTKs: RET","Type XIX RTKs: Leukocyte 
tyrosine kinase (LTK) receptor family","Type XVI RTKs: DDR (collagen receptor) family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XII RTKs: TIE family of angiopoietin receptor
s","Csk family","TAK1 subfamily"}

> <pathway_reactome>
{Disease,"Metabolism of RNA","Immune System","Signal Transduction","Gene expression (Transcription)","Developmental Biology","Neuronal System",Metabolism,"Vesicle-mediated transport","Metabolism of pr
oteins","Cellular responses to external stimuli","Cell Cycle","Cell-Cell communication","Extracellular matrix organization","Muscle contraction","Diseases of signal transduction by growth factor recep
tors and second messengers","rRNA processing","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","Infectious disease","RNA Polymerase II Transcriptio
n","Signaling by GPCR","Nervous system development","Signaling by Non-Receptor Tyrosine Kinases","Transmission across Chemical Synapses","Metabolism of lipids","Membrane Trafficking","Adaptive Immune 
System","Post-translational protein modification","Cellular responses to stress","Intracellular signaling by second messengers","MAPK family signaling cascades",Mitotic,"Cell junction organization","S
ignaling by Rho GTPases","Non-integrin membrane-ECM interactions","Signaling by Hedgehog","Signaling by TGFB family members","Cardiac conduction","Signaling by KIT in disease","rRNA processing in the 
nucleus and cytosol","Fc epsilon receptor (FCERI) signaling","Signaling by FGFR","Signaling by Interleukins","Signaling by TGF-beta Receptor Complex in Cancer","Leishmania infection","Generic Transcri
ption Pathway","GPCR downstream signalling","Axon guidance","Signaling by PTK6","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by NTRKs","Signaling by VEGF","Phospholipid
 metabolism","HIV Infection","Toll-like Receptor Cascades","trans-Golgi Network Vesicle Budding","TCR signaling","Signaling by Insulin receptor","Asparagine N-linked glycosylation","Cellular Senescenc
e","PIP3 activates AKT signaling","MAPK6/MAPK4 signaling","M Phase","Mitotic G1 phase and G1/S transition","Mitotic G2-G2/M phases","Cell-extracellular matrix interactions","RHO GTPase Effectors","Neu
trophil degranulation","Signaling by PDGFR in disease","Oncogenic MAPK signaling","Hedgehog 'on' state","Signaling by BMP","Ion homeostasis","Drug resistance of KIT mutants","Major pathway of rRNA pro
cessing in the nucleolus and cytosol","FCERI mediated Ca+2 mobilization","Signaling by FGFR4",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Loss of Function of SMAD2/3 in Cancer","Parasite infec
tion","Transcriptional regulation by RUNX1","G alpha (q) signalling events","Leishmania parasite growth and survival","Signaling by ROBO receptors","EPH-Ephrin signaling","PTK6 Down-Regulation","Activ
ation of NMDA receptors and postsynaptic events","Signaling by NTRK1 (TRKA)","VEGF ligand-receptor interactions","PI Metabolism","Host Interactions of HIV factors","Toll Like Receptor 5 (TLR5) Cascade
","Golgi Associated Vesicle Biogenesis","Generation of second messenger molecules","Insulin receptor signalling cascade","Transport to the Golgi and subsequent modification","Semaphorin interactions",
"Oxidative Stress Induced Senescence","Negative regulation of the PI3K/AKT network","Toll Like Receptor 2 (TLR2) Cascade","Mitotic Metaphase and Anaphase","G1 Phase","Interleukin-2 family signaling","
PTK6 promotes HIF1A stabilization","VEGFA-VEGFR2 Pathway","PTEN Regulation","Interleukin-1 family signaling","G2/M Transition","Regulation of cytoskeletal remodeling and cell spreading by IPP complex 
components","RHO GTPases activate CIT","Transcriptional Regulation by TP53","RET signaling","Drug resistance of PDGFR mutants","G0 and Early G1","Signaling by RAS mutants","Toll Like Receptor 4 (TLR4)
 Cascade","Dasatinib-resistant KIT mutants","Negative regulation of FGFR4 signaling","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Leishmania phagocytosis","RUNX1 regulates transcription of genes
 involved in BCR signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Anti-inflammatory response favouring Leishmania parasite infection","Role of ABL in ROBO-SLIT signaling","EPHA-mediated 
growth cone collapse","Post NMDA receptor activation events","Signalling to ERKs","VEGF binds to VEGFR leading to receptor dimerization","Synthesis of PIPs at the plasma membrane","The role of Nef in 
HIV-1 replication and disease pathogenesis","MyD88 cascade initiated on plasma membrane","IRS-mediated signalling","ER to Golgi Anterograde Transport","Sema4D in semaphorin signaling",PI5P,"PP2A and I
ER3 Regulate PI3K/AKT Signaling","Toll Like Receptor TLR6:TLR2 Cascade","EPHB-mediated forward signaling","Mitotic Anaphase","Cyclin D associated events in G1","Interleukin-15 signaling","Regulation o
f PTEN stability and activity","Interleukin-1 signaling","Centrosome maturation","Regulation of TP53 Activity","Imatinib-resistant PDGFR mutants","Signalling to ERK5","Signaling downstream of RAS muta
nts","MyD88-independent TLR4 cascade","Spry regulation of FGF signaling","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","FCGR3A-mediated IL10 synthesis","Long-term potentiation","Pro
longed ERK activation events","Signalling to RAS","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","MAP kinase activation","PI3K Cascade","Cargo concent
ration in the ER","Sema4D induced cell migration and growth-cone collapse","Nef and signal transduction","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Separation of Sister Chromatids","Loss
 of proteins required for interphase microtubule organization from the centrosome","Regulation of TP53 Activity through Phosphorylation","Sema4D mediated inhibition of cell attachment and migration","
TRIF(TICAM1)-mediated TLR4 signaling","Frs2-mediated activation","p38MAPK events","Nef Mediated CD4 Down-regulation","activated TAK1 mediates p38 MAPK activation","MAPK targets/ Nuclear events mediate
d by MAP kinases","Loss of Nlp from mitotic centrosomes","TRAF6-mediated induction of TAK1 complex within TLR4 complex","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human
 TAK1","Activation of the AP-1 family of transcription factors","CREB phosphorylation"}

> <broad_targets>
{AKT1,EGFR,ERBB2,ERBB4}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{I1033(CANERTINIB,Canertinib,267243-28-7,267243287,CI-1033,CI1033,"Canertinib (CI-1033)","Canertinib (CI1033)",UNII-C78W1K5ASF,UNIIC78W1K5ASF,PD-183805,PD183805,"Canertinib free base",C78W1K5ASF,CHEMB
L31965,CHEBI:61399,"267243-28-7 (free base)","267243287 (free base)",NCGC00182713-01,NCGC0018271301,CI-1033(Canertinib),CI1033(Canertinib),"Canertinib (INN:BAN)",PubCh,T2501,T6136,S1019,"Canertinib di
hydrochloride",canertinib,CANERTINIB}

> <pdid>
PD003440

> <targets>
{HER2,HER1/2/4}

> <classes>
{}

> <pubchem_cids>
{156414}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33791

> <plate>
Plate_1

> <well>
C19

> <supplier_cmpd_name>
RITA

> <ctcr_id>
5350

> <supplier_cmpd_id>
RITA

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 18 20  0  0  1  0            999 V2000
    2.3845   -1.0639    0.0000 C   0  0
    0.9505   -0.6239    0.0000 C   0  0
    0.0193   -1.6914    0.0000 C   0  0
    0.8161   -2.8890    0.0000 C   0  0
    2.1249   -2.0240    0.0000 C   0  0
    3.6053   -2.3011    0.0000 C   0  0
    3.2537   -3.7593    0.0000 C   0  0
    5.0155   -2.7190    0.0000 O   0  0
    4.7140   -1.1756    0.0000 C   0  0
    4.6908    0.4141    0.0000 C   0  0  1  0  0  0
    5.9261    1.2548    0.0000 O   0  0
    5.5220    2.6993    0.0000 C   0  0
    6.4532    3.8753    0.0000 O   0  0
    4.0233    2.7614    0.0000 C   0  0
    3.2012    4.0160    0.0000 C   0  0
    3.4846    1.3694    0.0000 C   0  0  2  0  0  0
    2.2573    0.6284    0.0000 C   0  0
    0.7787    0.7789    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
  6  8  1  0
  8  9  1  0
  9  6  1  0
  9 10  1  0
 10 11  1  6
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 14 16  1  0
 16 10  1  0
 16 17  1  1
 17 18  1  0
 18  2  1  0
M  END
> <name>
Broad_2021

> <id>
33792

> <plate>
Plate_1

> <well>
D19

> <supplier_cmpd_name>
Parthenolide

> <ctcr_id>
6565

> <supplier_cmpd_id>
Parthenolide

> <smiles>
C\C1=C/CCC2(C)OC2[C@H]3OC(=O)C(=C)[C@@H]3CC1

> <pd_targets>
{LMNA,RORC,LEF,STAT6,TP53,FTL,CYP3A4,CYP1A2,KMT2A,MEN1,MAPT,NFO,ALDH1A1,GMNN,PMP22,MTOR,MURA,CASP1,PTGS2,MYB,NFKB1,NFKB2,RELA,HTR2A,NOS2,NLRP3}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Transcription factor","Unclassified protein","Epigenetic regulator","Other cytosolic protein","Membrane receptor",Protease,"Nuclear receptor","Cytochrome P450",Reader,
Hydrolase,Oxidoreductase,Kinase,Transferase,"Family A G protein-coupled receptor","Cysteine protease","Nuclear hormone receptor subfamily 1","Metallo protease","Cytochrome P450 family 3","Cytochrome P
450 family 1",Bromodomain,"Protein Kinase","Small molecule receptor (family A GPCR)","Cysteine protease CA clan","Nuclear hormone receptor subfamily 1 group F","Metallo protease MAE clan","Cytochrome 
P450 family 3A","Cytochrome P450 family 1A","Atypical protein kinase group","Cysteine protease CD clan","Monoamine receptor","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group 
F member 3","Metallo protease M34 family","Cytochrome P450 3A4","Cytochrome P450 1A1","Atypical protein kinase PIKK family","Cysteine protease C14 family","Serotonin receptor","Atypical protein kinase
 FRAP subfamily"}

> <pathway_chembl>
{Receptors,"Other protein targets",Enzymes,"Nuclear hormone receptors","Transcription factors","Cytochrome P450","Kinases (EC 2.7.x.x)","Peptidases and proteinases","Eicosanoid turnover","G protein-co
upled receptors","L-Arginine turnover","Catalytic receptors","1F. Retinoic acid-related orphans","STAT transcription factors","CYP3 family","CYP1 family",Atypical,"CD: Cysteine (C) Peptidases",Cycloox
ygenase,"5-Hydroxytryptamine receptors","Nitric oxide synthases","Pattern recognition receptors","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","C14: Caspase","NOD-like receptor famil
y","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Disease,"Immune System","Vesicle-mediated transport",Metabolism,"Neuronal System","Developmental Biology","Signal Transduction",Mitotic,"RNA Polymerase 
II Transcription","Infectious disease","Innate Immune System","Cell Cycle Checkpoints","Membrane Trafficking","Metabolism of lipids","Biological oxidations","Transmission across Chemical Synapses","Ne
rvous system development","Signaling by GPCR","M Phase","Generic Transcription Pathway","Uptake and actions of bacterial toxins","Cytosolic sensors of pathogen-associated DNA","G1/S DNA Damage Checkpo
ints","trans-Golgi Network Vesicle Budding","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal t
ransmission","Mitotic G1 phase and G1/S transition","EGR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR ligand binding","Infection with Mycobacterium tuberculosis","Leishmania infec
tion","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX3","Uptake and function of anthrax toxins","STING mediated induction of host immune responses","p53-Dependent G1/S DNA damage 
checkpoint","Golgi Associated Vesicle Biogenesis","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Activation of NMDA receptors and postsynaptic events","Ethanol oxid
ation","G1/S Transition","Transcriptional Regulation by TP53","Biosynthesis of DPA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Response of Mtb to phagocytosis","Cell recruitment (pro-inflamm
atory response)","Mitotic Anaphase","RUNX3 Regulates Immune Response and Cell Migration","STAT6-mediated induction of chemokines","p53-Dependent G1 DNA Damage Response","Biosynthesis of maresins",Xeno
biotics,"Post NMDA receptor activation events","Activation of the pre-replicative complex","Regulation of TP53 Activity","TP53 Regulates Transcription of Cell Death Genes","Biosynthesis of DPAn-3 SPMs
","Amine ligand-binding receptors","Suppression of phagosomal maturation","Purinergic signaling in leishmaniasis infection","Nuclear Envelope (NE) Reassembly","Stabilization of p53","Biosynthesis of m
aresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression and Degradation","TP53 Regulates Transcrip
tion of Caspase Activators and Caspases","Serotonin receptors","Inhibition of nitric oxide production","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP
1","Regulation of TP53 Degradation"}

> <broad_targets>
{IKBKB,RELA}

> <broad_moa>
{"NFkB pathway inhibitor"}

> <synonyms>
{parthenolide,TNP00292,SPECTRUM1503640,CHEMBL2357484,SCHEMBL14029484,HMS501J11,CCG-39638,CCG39638,AKOS024282620,SDCCGMLS-0066720.P001,SDCCGMLS0066720.P001,NCGC00017350-02,NCGC0001735002,NCGC00142528-0
1,NCGC0014252801,ST057249,1503640,PARTHENOLIDE}

> <pdid>
PD002642

> <targets>
{}

> <classes>
{"5HT antagonist",antineoplastic,"smooth muscle relaxant"}

> <pubchem_cids>
{5702252}

$$$$
Broad_2021
  SciTegic11012413022D

 32 35  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -3.9021   -3.7405    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 N   0  0
   -2.6191   -7.4957    0.0000 C   0  0
   -3.9225   -8.2398    0.0000 C   0  0
   -5.2164   -7.4809    0.0000 C   0  0
   -6.5206   -8.2219    0.0000 C   0  0
   -6.5309   -9.7218    0.0000 C   0  0
   -5.2371  -10.4808    0.0000 C   0  0
   -3.9329   -9.7398    0.0000 C   0  0
   -2.6399  -10.5019    0.0000 N   0  0
   -2.6525  -12.0018    0.0000 C   0  0
   -1.3344   -9.7632    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -0.0121   -6.0043    0.0000 C   0  0
    1.2908   -5.2609    0.0000 C   0  0
    2.5860   -6.0175    0.0000 C   0  0
    2.5785   -7.5175    0.0000 N   0  0
    1.2757   -8.2609    0.0000 C   0  0
   -0.0196   -7.5043    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 15 26  1  0
 26 11  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
M  END
> <name>
Broad_2021

> <id>
33793

> <plate>
Plate_1

> <well>
E19

> <supplier_cmpd_name>
GANT 61

> <ctcr_id>
7448

> <supplier_cmpd_id>
GANT 61

> <smiles>
CN(C)c1ccccc1CN2CCCN(Cc3ccccc3N(C)C)C2c4ccncc4

> <pd_targets>
{CYP2D6,ALDH1A1,CYP3A4,SHH,GLI1,GLI2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Transcription factor","Cytochrome P450",Oxidoreductase,"Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Cy
tochrome P450 2D6","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","CYP2 family: drug metabolising subset","CYP3 family"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Biological oxidations","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Hedgehog","Pha
se I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Hh mutants abrogate ligand secretion","Hedgehog 'off' state","Cytochrome P450 - arranged by substrat
e type","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","HHAT G278V doesn't palmitoylate Hh-Np","Degradation of GLI1 by the proteasome",Xenobiotics,"Biosynthesis of maresins","CYP2E1 reactions"
,"Biosynthesis of maresin-like SPMs"}

> <broad_targets>
{GLI1,GLI2}

> <broad_moa>
{"GLI antagonist"}

> <synonyms>
{GANT61,500579-04-4,500579044,"GANT 61",GANT-61,GNT61,NSC136476,"NSC 136476","GANT 61(NSC 136476)",CHEMBL471728,C27H35N5,NSC-136476,NCIStruc1_001747,NCIStruc1001747,NCIStruc1-001747,"NCIStruc1 001747"
,NCIStruc2_001814,NCIStruc2001814,NCIStruc2-001814,"NCIStruc2 001814",SCHEMBL12831665,CHEBI:94276,DTXSID50329591,EX-A339,EXA339,CHEBI:140908,AMY39942,BCP08050,2423AH,B,T3070,3191,S8075}

> <pdid>
PD003546

> <targets>
{Hedgehog/Smoothened,Autophagy,Gli}

> <classes>
{Autophagy,Stem Cell/Wnt}

> <pubchem_cids>
{421610}

$$$$
Broad_2021
  SciTegic11012413022D

 26 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -5.2111   -5.9837    0.0000 C   0  0
   -5.2189   -7.4837    0.0000 O   0  0
   -6.5065   -5.2274    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5627    0.0004    0.0000 C   0  0
   -3.8792    2.2803    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2810    2.2196    0.0000 C   0  0
   -0.0353    4.4996    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 13 16  1  0
 16 17  1  0
 16 18  2  0
  5 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24  4  1  0
 24 25  1  0
 24 26  1  0
M  END
> <name>
Broad_2021

> <id>
33794

> <plate>
Plate_1

> <well>
F19

> <supplier_cmpd_name>
Bexarotene

> <ctcr_id>
6241

> <supplier_cmpd_id>
Bexarotene

> <smiles>
Cc1cc2c(cc1C(=C)c3ccc(cc3)C(O)=O)C(C)(C)CCC2(C)C

> <pd_targets>
{RXRA,RXRB,RXRG,PPARG,RORC,RARA,BLM,KMT2A,MEN1,RARB,RECQL,RARG,CYP26A1,CYP26B1,NR1H2,NR4A2,NR1H3}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Epigenetic regulator","Nuclear receptor",Reader,"Cytochrome P450","Nuclear hormone receptor subfamily 2","Nuclear hormone receptor subfamily 1",Bromodomain,"Cytochrome 
P450 family 26","Nuclear hormone receptor subfamily 2 group B","Nuclear hormone receptor subfamily 1 group C","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group
 B","Cytochrome P450 family 26A","Nuclear hormone receptor subfamily 1 group H","Nuclear hormone receptor subfamily 2 group B member 1","Nuclear hormone receptor subfamily 2 group B member 2","Nuclear
 hormone receptor subfamily 2 group B member 3","Nuclear hormone receptor subfamily 1 group C member 3","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 1 gr
oup B member 1","Nuclear hormone receptor subfamily 1 group B member 2","Nuclear hormone receptor subfamily 1 group B member 3","Cytochrome P450 26A1","Nuclear hormone receptor subfamily 1 group H mem
ber 3"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Cytochrome P450","2B. Retinoid X receptors","1C. Peroxisome proliferator-activated receptors","1F. Retinoic acid-related orphans","1B. Retinoic acid rec
eptors",CYP24,"CYP26 and CYP27 families","1H. Liver X receptor-like receptors"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Metabolism of proteins","DNA Repair","Metabolism of lipids","RNA Polymerase II Transcription","Post-translational protein modification","DNA Double-Stran
d Break Repair","Biological oxidations","Metabolism of steroids","Generic Transcription Pathway",SUMOylation,"Homology Directed Repair","Phase I - Functionalization of compounds","Bile acid and bile s
alt metabolism","Nuclear Receptor transcription pathway","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","SUMO E3 ligases SUMOylate target proteins","HDR through Homologous
 Recombination (HRR) or Single Strand Annealing (SSA)","Cytochrome P450 - arranged by substrate type","Synthesis of bile acids and bile salts","MECP2 regulates transcription factors","RUNX3 Regulates 
Immune Response and Cell Migration","SUMOylation of intracellular receptors","HDR through Homologous Recombination (HRR)",Vitamins,"Synthesis of bile acids and bile salts via 27-hydroxycholesterol","H
omologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{RXRA,RXRB,RXRG}

> <broad_moa>
{"retinoid receptor agonist"}

> <synonyms>
{Bexarotene,153559-49-0,153559490,Targretin,Targrexin,LGD1069,"LGD 1069",LGD-1069,LG100069,UNII-A61RXM4375,UNIIA61RXM4375,Targretyn,"4-(1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl)benz
oic acid","4(1(3,5,5,8,8pentamethyl6,7dihydronaphthalen2yl)ethenyl)benzoic acid",166175-31-1,166175311,CHEMBL1023,"LG 100069",LG-100069,Targret,CHEBI:5,T6410,11571,bexarotene,BEXAROTENE}

> <pdid>
PD003617

> <targets>
{RXR AGONIST,Autophagy,RAR/RXR}

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

> <pubchem_cids>
{82146}

$$$$
Broad_2021
  SciTegic11012413022D

 27 27  0  0  0  0            999 V2000
   11.4904   -1.1305    0.0000 Cl  0  0
    8.9904   -1.1305    0.0000 Cl  0  0
    5.1873   -7.5109    0.0000 C   0  0
    5.1894   -6.0109    0.0000 N   0  0
    6.4897   -5.2632    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    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
    3.8971    3.7500    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 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  3
 19 11  1  0
 19 20  1  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 10  1  0
 27 22  1  0
M  END
> <name>
Broad_2021

> <id>
33795

> <plate>
Plate_1

> <well>
G19

> <supplier_cmpd_name>
HLI 373

> <ctcr_id>
7652

> <supplier_cmpd_id>
HLI 373

> <smiles>
Cl.Cl.CN(C)CCCNC1=C2C(=O)N(C)C(=O)N=C2N(C)c3ccccc13

> <pd_targets>
{STAT6,HIF1A,CYP1A2,LEF}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Cytochrome P450",Protease,"Cytochrome P450 family 1","Metallo protease","Cytochrome P450 family 1A","Metallo protease MAE clan","Cytochrome P450 1A1","Metallo protease 
M34 family"}

> <pathway_chembl>
{"Other protein targets",Enzymes,"Transcription factors","Cytochrome P450","STAT transcription factors","CYP1 family"}

> <pathway_reactome>
{"Immune System","Cellular responses to external stimuli",Metabolism,Disease,"Innate Immune System","Cellular responses to stress","Biological oxidations","Infectious disease","Cytosolic sensors of pa
thogen-associated DNA","Cellular response to hypoxia","Phase I - Functionalization of compounds","Uptake and actions of bacterial toxins","STING mediated induction of host immune responses","Oxygen-de
pendent proline hydroxylation of Hypoxia-inducible Factor Alpha","Cytochrome P450 - arranged by substrate type","Uptake and function of anthrax toxins","STAT6-mediated induction of chemokines",Xenobio
tics,"Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{3503,nan,"HLI 373"}

> <pdid>
PD003514

> <targets>
{MDM2}

> <classes>
{}

> <pubchem_cids>
{72193867}

$$$$
Broad_2021
  SciTegic11012413022D

 31 36  0  0  0  0            999 V2000
    2.4563  -10.5723    0.0000 O   0  0
    3.9371  -10.3328    0.0000 C   0  0
    4.4699   -8.9297    0.0000 N   0  0
    3.5235   -7.7682    0.0000 C   0  0
    3.9044   -6.3174    0.0000 S   0  0
    2.6429   -5.5074    0.0000 C   0  0
    2.4007   -4.0271    0.0000 C   0  0
    0.9977   -3.4965    0.0000 C   0  0
    0.7524   -2.0159    0.0000 N   0  0
   -0.6522   -1.4871    0.0000 C   0  0
   -1.8115   -2.4389    0.0000 O   0  0
   -0.8987    0.0000    0.0000 C   0  0
   -2.0541   -1.3755    0.0000 C   0  0
   -0.6052   -0.9721    0.0000 C   0  0
   -0.6052    0.5686    0.0000 C   0  0
    0.4035    1.7790    0.0000 C   0  0
    1.7790    1.2105    0.0000 C   0  0
    1.7607   -0.2751    0.0000 C   0  0
    0.7703   -1.5223    0.0000 C   0  0
    0.3852   -0.6052    0.0000 C   0  0
   -0.8987    1.3205    0.0000 C   0  0
   -0.1633   -4.4465    0.0000 C   0  0
    0.0789   -5.9268    0.0000 C   0  0
    1.4819   -6.4573    0.0000 C   0  0
    2.0260   -7.8542    0.0000 N   0  0
    4.8850  -11.4964    0.0000 C   0  0
    4.3546  -12.8995    0.0000 C   0  0
    5.3044  -14.0605    0.0000 C   0  0
    6.7847  -13.8184    0.0000 C   0  0
    7.3152  -12.4153    0.0000 C   0  0
    6.3654  -11.2544    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 18 20  1  0
 20 12  1  0
 16 21  1  0
 21 12  1  0
  8 22  2  0
 22 23  1  0
 23 24  2  0
 24  6  1  0
 24 25  1  0
 25  4  2  0
  2 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
M  END
> <name>
Broad_2021

> <id>
33796

> <plate>
Plate_1

> <well>
H19

> <supplier_cmpd_name>
NVP 231

> <ctcr_id>
8359

> <supplier_cmpd_id>
NVP 231

> <smiles>
O=C(Nc1sc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2n1)c6ccccc6

> <pd_targets>
{CERK}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Ceramide turnover","Ceramide kinase"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Sphingolipid metabolism","Glycosphingolipid metabolism"}

> <broad_targets>
{CERK}

> <broad_moa>
{"ceramidase inhibitor"}

> <synonyms>
{NVP231,"NVP 231",362003-83-6,362003836,"362003 83 6","N-(2-benzamido-1,3-benzothiazol-6-yl)adamantane-1-carboxamide","N(2benzamido1,3benzothiazol6yl)adamantane1carboxamide","N (2 benzamido 1,3 benzot
hiazol 6 yl)adamantane 1 carboxamide",N-(2-(b,N(2(b,T1933,3960}

> <pdid>
PD003702

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4096211}

$$$$
Broad_2021
  SciTegic11012413022D

 33 37  0  0  0  0            999 V2000
    6.4908   -3.7717    0.0000 C   0  0
    5.1954   -3.0153    0.0000 O   0  0
    3.8915   -3.7585    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    2.5765   -7.5048    0.0000 O   0  0
    1.2731   -8.2489    0.0000 C   0  0
    1.2626   -9.7489    0.0000 C   0  0
   -0.0416  -10.4898    0.0000 C   0  0
   -1.3354   -9.7309    0.0000 N   0  0
   -2.6396  -10.4719    0.0000 C   0  0
   -1.3250   -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
    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
   -2.7248    1.2135    0.0000 N   0  0
   -3.1882    2.6401    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.1884   -2.6409    0.0000 C   0  0
   -4.5650   -3.1911    0.0000 C   0  0
   -4.4475   -4.6865    0.0000 C   0  0
   -2.9890   -5.0368    0.0000 C   0  0
   -2.2051   -3.7579    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13  7  1  0
  5 14  2  0
 14 15  1  0
 15 16  2  0
 16  3  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 27  1  0
 26 32  1  0
 32 21  1  0
 32 33  2  0
 33 18  1  0
M  END
> <name>
Broad_2021

> <id>
33797

> <plate>
Plate_1

> <well>
I19

> <supplier_cmpd_name>
AZ 3146

> <ctcr_id>
2685

> <supplier_cmpd_id>
AZ 3146

> <smiles>
COc1cc(OC2CCN(C)CC2)ccc1Nc3ncc4N(C)C(=O)N(C5CCCC5)c4n3

> <pd_targets>
{TTK,CCNA2,CDK2,AURKA}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","CMGC protein kinase group","Other protein kinase TTK family","CMGC protein kinase CDK family","Other protein kinase AUR family","CMGC prot
ein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","Other protein kinases","TTK family","Aurora kinase (Aur) family"}

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

> <broad_targets>
{}

> <broad_moa>
{"monopolar spindle 1 kinase inhibitor"}

> <synonyms>
{AZ3146,1124329-14-1,1124329141,"AZ 3146",AZ-3146,CHEMBL2140523,AU5,cc-583,cc583,MLS006011199,GTPL9400,SCHEMBL1782786,AOB4988,DTXSID20719960,EX-A440,EXA440,HMS3656H19,BCP02545,ABP000783,BDBM50446445,M
FCD18384959,s2731,ZINC73096242,AKOS024457919,AZ3146/,BCP9000349,CCG-26,CCG26,T2689,S2731}

> <pdid>
PD003409

> <targets>
{Kinesin}

> <classes>
{"Cytoskeletal Signaling"}

> <pubchem_cids>
{56973724}

$$$$
Broad_2021
  SciTegic11012413022D

 16 17  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987    1.5004    0.0000 C   0  0  1  0  0  0
   -2.7390    2.9810    0.0000 C   0  0
   -4.2067    3.2905    0.0000 C   0  0  2  0  0  0
   -4.8190    4.6599    0.0000 O   0  0
   -4.9546    1.9903    0.0000 C   0  0  1  0  0  0
   -6.4447    1.8344    0.0000 C   0  0
   -7.3266    3.0478    0.0000 O   0  0
   -3.9492    0.8772    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  8  2  1  0
  9  6  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  1
 11 13  1  0
 13 14  1  6
 14 15  1  0
 13 16  1  0
 16  9  1  0
M  END
> <name>
Broad_2021

> <id>
33798

> <plate>
Plate_1

> <well>
J19

> <supplier_cmpd_name>
Decitabine

> <ctcr_id>
7375

> <supplier_cmpd_id>
Decitabine

> <smiles>
NC1=NC(=O)N(C=N1)[C@H]2C[C@H](O)[C@@H](CO)O2

> <pd_targets>
{DNMT1,DNMT3A,DNMT3B}

> <pathway_gtopdb>
{"Epigenetic regulator",Writer,Reader,"DNA methyltransferase","Methyl-lysine/arginine binding protein","PWWP domain"}

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

> <pathway_reactome>
{"Metabolism of proteins","Post-translational protein modification",SUMOylation,"SUMO E3 ligases SUMOylate target proteins","SUMOylation of DNA methylation proteins"}

> <broad_targets>
{DNMT1,DNMT3A}

> <broad_moa>
{"DNA methyltransferase inhibitor"}

> <synonyms>
{Decitabine,5-Aza-2'-deoxycytidine,5Aza2'deoxycytidine,2353-33-5,2353335,Dacogen,5-Azadeoxycytidine,5Azadeoxycytidine,2'-Deoxy-5-azacytidine,2'Deoxy5azacytidine,AzadC,5-aza-CdR,5azaCdR,5-aza-dC,5azadC
,Dezocitidine,"NSC 127716",Dac,5-aza-2-deoxycytidine,5aza2deoxycytidine,UNII-776B62CQ27,UNII776B62CQ27,5A2dc,NSC-127716,NSC127716,4-Amino-1-(2-deoxy-beta-D-erythro-pentofurano,4Amino1(2deoxybetaDeryth
ropentofurano,T1508,S1200,decitabine}

> <pdid>
PD003319

> <targets>
{"DNA/RNA Synthesis"}

> <classes>
{}

> <pubchem_cids>
{451668}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33799

> <plate>
Plate_1

> <well>
K19

> <supplier_cmpd_name>
LRRK2-IN-1

> <ctcr_id>
8329

> <supplier_cmpd_id>
LRRK2-IN-1

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 27 28  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0093    6.0025    0.0000 O   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6109    7.4996    0.0000 C   0  0
   -1.3132    8.2519    0.0000 O   0  0
   -3.9118    8.2481    0.0000 C   0  0
   -3.9149    9.7490    0.0000 C   0  0
   -5.2157   10.4975    0.0000 C   0  0
   -5.2210   11.9975    0.0000 C   0  0
   -6.5226   12.7430    0.0000 C   0  0
   -7.8190   11.9885    0.0000 C   0  0
   -9.1207   12.7340    0.0000 O   0  0
   -7.8138   10.4885    0.0000 C   0  0
   -9.1094    9.7310    0.0000 O   0  0
   -9.1021    8.2310    0.0000 C   0  0
   -6.5122    9.7430    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 20 23  2  0
 23 15  1  0
  5 24  2  0
 24 25  1  0
 25 26  2  0
 26  3  1  0
 26 27  1  0
M  END
> <name>
Broad_2021

> <id>
33800

> <plate>
Plate_1

> <well>
L19

> <supplier_cmpd_name>
Curcumin

> <ctcr_id>
5068

> <supplier_cmpd_id>
Curcumin

> <smiles>
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O

> <pd_targets>
{CYP1A2,APP,MMP13,LMNA,CASP7,HSD17B10,RORC,HIF1A,FTL,HPGD,CYP3A4,ALPI,ATP2A1,TXNRD1,TXNRD2,TXNRD3,PTGS1,PTGS2,CREBBP,EP300,ALPG,HTT,ALOX5,PTGES,GSK3B,FFP,CASP1,KMT2A,MEN1,THRB,ALDH1A1,ALOX15,POLB,NPSR
1,HSPD1,HSPE1,CYP2D6,HSD17B3,CA3,CA1,CA5A,CA9,ABHD5,PLIN1,ANPEP,REP,CISD1,MAOB,MAOA,TLR9,NADD,KDM4E,MAPT,ATP2A3,GROES,GROL,TST,CAMK2A,BACE1,NA,PRKCE,CA12,CA7,CA2,CA5B,CA14,HSD11B1,LEF,STAT3,GLO1,MMP9,
PRKCD,CA4,HSD17B2,HTR4,EGFR,KDM1A,FABI,PRKCQ,TLR4,F3,TSHR,ALOX12,MAPK1,ALD,FTSZ,CDR1,CA6,CA13,CA15,TIM10,PLA2G1B,GSTP1,GAG-POL,PKM,TGR,HBB,SRTA,CYP2C9,CYP2B6,ACHE,NOS2,PAK1,PLIN5,GAA,ATP2A2,STK33,NFE2
L2,SSSIM,VDR,FOS,JUN,TP53,TUBA4A,NFKB1,PROTEASE,POL,USP2,TOP2A,SRC,PSMB5,BLA(TEM-2),NFKB2,RELA,ABCB1,KCNK2,HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9,ABCC5}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other nuclear protein","Transcription factor","Unclassified protein",Transporter,"Epigenetic regulator","Other cytosolic protein","Secreted protein","Structural protein","
Ion channel","Cytochrome P450",Protease,Oxidoreductase,"Nuclear receptor",Phosphatase,"Primary active transporter",Writer,Isomerase,Kinase,Transferase,Reader,"Family A G protein-coupled receptor",Lyas
e,"Toll-like and Il-1 receptors",Eraser,Hydrolase,"Voltage-gated ion channel","Cytochrome P450 family 1","Metallo protease","Cysteine protease","Nuclear hormone receptor subfamily 1","Cytochrome P450 
family 3","P-type ATPase","Histone acetyltransferase","Protein Kinase",Bromodomain,"Peptide receptor (family A GPCR)","Cytochrome P450 family 2","Lysine demethylase","Aspartic protease","Small molecul
e receptor (family A GPCR)","ATP-binding cassette","Threonine protease","Potassium channels","Histone deacetylase","Cytochrome P450 family 1A","Metallo protease MAM clan","Cysteine protease CD clan","
Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Calcium ATPase","p300/CBP family","Cysteine protease CA clan","CMGC protein kinase group","Nuclear hormone receptor subfamily
 1 group A","Short peptide receptor (family A GPCR)","Cytochrome P450 family 2D","Metallo protease MAE clan","Jumonji domain-containing","CAMK protein kinase group","Aspartic protease AA clan","AGC pr
otein kinase group","Monoamine receptor","TK protein kinase group","Lysine-specific demethylase","Glycohormone receptor","ABCB subfamily","Cytochrome P450 family 2C","Cytochrome P450 family 2B","STE p
rotein kinase group","Nuclear hormone receptor subfamily 1 group I","Cysteine protease PAC clan","Threonine protease PBT clan","Two-pore domain potassium channel","HDAC class I","ABCC subfamily","Cyto
chrome P450 1A1","Metallo protease M10A subfamily","Cysteine protease C14 family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","Cysteine protease C1A family","CMGC pro
tein kinase GSK family","Nuclear hormone receptor subfamily 1 group A member 2","Neuropeptide receptor","Cytochrome P450 2D6","Metallo protease M1 family","CAMK protein kinase CAMK2 family","Aspartic 
protease A1A subfamily","AGC protein kinase PKC family","Metallo protease M34 family","Serotonin receptor","Tyrosine protein kinase EGFR family","CMGC protein kinase MAPK family","Cytochrome P450 2C9"
,"Cytochrome P450 2B6","STE protein kinase STE20 family","CAMK protein kinase unique family","Nuclear hormone receptor subfamily 1 group I member 1","Cysteine protease C3A subfamily","Cysteine proteas
e C19 family","Tyrosine protein kinase Src family","Threonine protease T1A subfamily","AGC protein kinase PKC eta subfamily","AGC protein kinase PKC delta subfamily","CMGC protein kinase ERK1","STE pr
otein kinase PAKA subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Other protein targets","Cytochrome P450","Peptidases and proteinases","Nuclear hormone receptors","Eicosanoid turnover","P-type ATPases","Kinases (EC 2.7.x.x)","Bromod
omain-containing proteins","G protein-coupled receptors","Carbonic anhydrases","Anti-infective targets","Catecholamine turnover","Catalytic receptors","Chromatin modifying enzymes","1.-.-.- Oxidoreduc
tases","Transcription factors","Glycerophospholipid turnover","2.7.1.40 Pyruvate kinases","Acetylcholine turnover","L-Arginine turnover","3.2.1.- Glycosidases","DNA topoisomerases","ATP-binding casset
te transporter family","CYP1 family","MA: Metallo (M) Peptidases","CD: Cysteine (C) Peptidases","1F. Retinoic acid-related orphans","Prostaglandin synthases","CYP3 family","P2A P-type ATPases: Ca<sup>
2+</sup>-ATPases",Lipoxygenases,Cyclooxygenase,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","Non-enzymatic BRD containing proteins","1A. Thyroid hormone receptors","Neuropeptide S receptor","CYP2 f
amily: drug metabolising subset","Viral protein targets","Pattern recognition receptors","1.14.11.- Histone demethylases","CAMK: Calcium/calmodulin-dependent protein kinases","AA: Aspartic (A) Peptida
ses","AGC: Containing PKA",PKG,"PKC families","STAT transcription factors","5-Hydroxytryptamine receptors","Receptor kinases","Glycoprotein hormone receptors","Phospholipase A<sub>2</sub>","Nitric oxi
de synthases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","2.1.1.43 Histone methyltransferases (HMTs)","Basic leucine zipper domain TFs","1I. Vitamin D receptor-like receptors
","CA: Cysteine (C) Peptidases","PB: Threonine (T) Peptidases","ABCB subfamily","ABCC subfamily","M10: Matrix metallopeptidase","C14: Caspase","Glycogen synthase kinase (GSK) family","M1: Aminopeptida
se N","Coronavirus (CoV) proteins","Toll-like receptor family","CAMK2 family","A1: Pepsin","Protein kinase C (PKC) family","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","STE2
0 family","CAMK-unique family","C19: Ubiquitin-specific protease","T1: Proteasome","GSK subfamily","Eta subfamily","Delta subfamily","Receptor tyrosine kinases (RTKs)","ERK subfamily","PAKA subfamily"
,"Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{Metabolism,"Immune System","Gene expression (Transcription)","Cell Cycle","Programmed Cell Death","Cellular responses to external stimuli","Vesicle-mediated transport",Hemostasis,"Metabolism of prote
ins",Disease,"DNA Repair","Neuronal System","Transport of small molecules","Developmental Biology","Signal Transduction","Biological oxidations","Innate Immune System","RNA Polymerase II Transcription
",Mitotic,Apoptosis,"Metabolism of amino acids and derivatives","Cellular responses to stress","Membrane Trafficking","Metabolism of lipids","Platelet homeostasis","Post-translational protein modifica
tion","Infectious disease","Base Excision Repair","Reversible hydration of carbon dioxide","Cytokine Signaling in Immune system","Transmission across Chemical Synapses","Amyloid fiber formation","O2/C
O2 exchange in erythrocytes","Diseases of signal transduction by growth factor receptors and second messengers","The citric acid (TCA) cycle and respiratory electron transport","Nervous system develop
ment","Intracellular signaling by second messengers","Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","Metabolism of carbohydrates","Diseases of metabolism","Cell Cycle Checkpoints","Abaca
vir transport and metabolism","Phase I - Functionalization of compounds","Toll-like Receptor Cascades","Generic Transcription Pathway","M Phase","Intrinsic Pathway for Apoptosis","Branched-chain amino
 acid catabolism","Cellular response to hypoxia","trans-Golgi Network Vesicle Budding","Biosynthesis of specialized proresolving mediators (SPMs)","Phospholipid metabolism","Platelet calcium homeostas
is","Post-translational modification: synthesis of GPI-anchored proteins","Fatty acid metabolism","SARS-CoV Infections",SUMOylation,"Resolution of Abasic Sites (AP sites)","Leishmania infection","Sign
aling by Interleukins","Neutrophil degranulation","Neurotransmitter receptors and postsynaptic signal transmission","Sulfur amino acid metabolism","Fcgamma receptor (FCGR) dependent phagocytosis","Ery
throcytes take up carbon dioxide and release oxygen","Metabolism of steroids","Uptake and actions of bacterial toxins","Signaling by FGFR in disease","Pyruvate metabolism and Citric Acid (TCA) cycle",
"Axon guidance","DAG and IP3 signaling","GPCR downstream signalling","PIP3 activates AKT signaling","Signaling by NTRKs","Triglyceride metabolism","Phase II - Conjugation of compounds","HIV Infection"
,"Glucose metabolism","Infection with Mycobacterium tuberculosis","Diseases of carbohydrate metabolism","G1/S DNA Damage Checkpoints","Mitotic G1 phase and G1/S transition","Regulation of mitotic cell
 cycle","Abacavir transmembrane transport","Glycosaminoglycan metabolism","Cytochrome P450 - arranged by substrate type","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX2","Mi
totic Metaphase and Anaphase","Apoptotic factor-mediated response","Transcriptional regulation by RUNX3","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Golgi Associated Ve
sicle Biogenesis","Biosynthesis of DHA-derived SPMs","Glycerophospholipid biosynthesis","Reduction of cytosolic Ca++ levels","Transcriptional Regulation by MECP2","Biosynthesis of DPA-derived SPMs","A
rachidonic acid metabolism","SARS-CoV-1 Infection","Transcriptional Regulation by TP53","SUMO E3 ligases SUMOylate target proteins","Ethanol oxidation","Resolution of AP sites via the multiple-nucleot
ide patch replacement pathway","Leishmania parasite growth and survival","Fatty acyl-CoA biosynthesis","Interleukin-12 family signaling","Regulation of gene expression by Hypoxia-inducible Factor","Am
ine Oxidase reactions","Toll Like Receptor 7/8 (TLR7/8) Cascade","Activation of NMDA receptors and postsynaptic events","Degradation of cysteine and homocysteine","Role of phospholipids in phagocytosi
s","Metabolism of steroid hormones","Uptake and function of anthrax toxins","Signaling by FGFR1 in disease","Pyruvate metabolism","EPH-Ephrin signaling","CaM pathway","G alpha (q) signalling events","
PTEN Regulation","G alpha (i) signalling events","Toll Like Receptor 4 (TLR4) Cascade","Signaling by NTRK1 (TRKA)","Triglyceride catabolism","Glutathione conjugation","HIV Life Cycle",Glycolysis,"Resp
onse of Mtb to phagocytosis","Transcriptional regulation by RUNX1","Glycogen storage diseases","p53-Dependent G1/S DNA damage checkpoint","Interleukin-1 family signaling","G0 and Early G1","APC/C-medi
ated degradation of cell cycle proteins","Hyaluronan metabolism",Xenobiotics,"MyD88 cascade initiated on plasma membrane","RUNX2 regulates genes involved in cell migration","Mitotic Anaphase","Cytochr
ome c-mediated apoptotic response","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of D-series resolvins","Biosynthesis of maresins","Synthesis of PA","Regulation of MECP2 expressio
n and activity","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","SARS-CoV-1 Genome Replication and Transcription","Regulation of TP53 Activity","TP53 Regulates T
ranscription of Cell Death Genes","SUMOylation of intracellular receptors","PCNA-Dependent Long Patch Base Excision Repair","Anti-inflammatory response favouring Leishmania parasite infection","Synthe
sis of very long-chain fatty acyl-CoAs","Interleukin-12 signaling","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","MyD88 dependent cascade initiated on endosome","Post NMDA
 receptor activation events","Sulfide oxidation to sulfate","Glucocorticoid biosynthesis","FGFR1 mutant receptor activation","EPH-ephrin mediated repulsion of cells","Calmodulin induced events","Estro
gen biosynthesis","Gastrin-CREB signalling pathway via PKC and MAPK","Regulation of PTEN gene transcription","Visual phototransduction","MyD88-independent TLR4 cascade","Nuclear Events (kinase and tra
nscription factor activation)","Acyl chain remodelling of PC","Early Phase of HIV Life Cycle","Synthesis of PC","Suppression of phagosomal maturation","EPHB-mediated forward signaling","RUNX1 regulate
s genes involved in megakaryocyte differentiation and platelet function","Glycogen storage disease type II (GAA)","p53-Dependent G1 DNA Damage Response","Interleukin-1 signaling","Transcription of E2F
 targets under negative control by DREAM complex","Signalling to ERKs","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Hyaluronan biosynthesis and export","Aromatic ami
nes can be N-hydroxylated or N-dealkylated by CYP1A2","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Nuclear Envelope (NE) Reassembly","Activation of caspases through apoptos
ome-mediated cleavage","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived 13-series resolvins","Replication of the SARS-CoV-1 genome","Regulation of TP53 Activity through Acetylation"
,"TP53 Regulates Transcription of Caspase Activators and Caspases","Biosynthesis of DPAn-3-derived protectins and resolvins","ADORA2B mediated anti-inflammatory cytokines production","CYP2E1 reactions
","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","TP53 Regulates Transcription of Genes Involved in Cytochrome C Release","TRAF6 mediated induction of NFkB and MA
P kinases upon TLR7/8 or 9 activation","Activation of AMPK downstream of NMDARs","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Signaling by cytosolic FGFR1 fusion
 mutants","EGFR Transactivation by Gastrin","The phototransduction cascade","TRIF(TICAM1)-mediated TLR4 signaling","NGF-stimulated transcription","Biosynthesis of DPAn-3-derived maresins","MAP kinase 
activation","Integration of provirus","Inhibition of nitric oxide production","Stabilization of p53","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Regulation of TP53 Expression and Degradation","Signa
lling to RAS","APC/C:Cdc20 mediated degradation of mitotic proteins","Initiation of Nuclear Envelope (NE) Reformation","PI5P Regulates TP53 Acetylation","Ras activation upon Ca2+ influx through NMDA r
eceptor",Inactivation,"recovery and regulation of the phototransduction cascade","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","MAPK targets/ Nuclear events mediated by MAP kinases","2-LTR ci
rcle formation","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation","p38MAPK events","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the c
ell cycle checkpoint","ERK/MAPK targets","Activation of the AP-1 family of transcription factors","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{curcumin,458-37-7,458377,Diferuloylmethane,"Natural yellow 3","Turmeric yellow",Curcuma,Turmeric,"Indian saffron","Kacha haldi",Gelbwurz,"Curcumin I",Souchet,Haidr,Halad,Haldar,Halud,"Merita earth","
Terra Merita","Yellow Ginger",(1E,6E)-1,6E)1,7-Bis(4-hy,7Bis(4hy,T1516,81025,NSC32982,"NSC 32982
NSC 32982",Curcumin}

> <pdid>
PD003342

> <targets>
{Autophagy,Epigenetic Reader Domain,Ferroptosis,Histone Acetyltransferase,Influenza Virus,Keap1-Nrf2,Mitophagy}

> <classes>
{Anti-infection,Apoptosis,Autophagy,Epigenetics,NF-ºB}

> <pubchem_cids>
{969516}

$$$$
Broad_2021
  SciTegic11012413022D

 25 28  0  0  0  0            999 V2000
    6.9144   -6.1912    0.0000 O   0  0
    6.3037   -4.8211    0.0000 C   0  0
    4.8111   -4.6641    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -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 C   0  0
   -3.1905    2.6376    0.0000 N   0  0
   -4.6581    2.9476    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    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 N   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.7171    0.9385    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 10  1  0
 14 15  2  0
 15 16  1  0
 11 17  2  0
 17  7  1  0
  6 18  1  0
 18 19  2  0
 19  4  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
M  END
> <name>
Broad_2021

> <id>
33801

> <plate>
Plate_1

> <well>
M19

> <supplier_cmpd_name>
GDC 0879

> <ctcr_id>
7096

> <supplier_cmpd_id>
GDC 0879

> <smiles>
OCCn1cc(c2ccc3c(CC\C3=N/O)c2)c(n1)c4ccncc4

> <pd_targets>
{BRAF,TGFBR1,TNIK,MAP4K4,STK10,CSNK1E,JAK1,ABL1,CIT,MAP3K19,MAP2K5,CSNK1D,ACVR1B,RAF1,MINK1,SLK,MAPK10,RIPK2,RIOK2,BMPR1B,ERBB3,MAPK1,MAPK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","STE protein kinase group","CK1 protein kinase group","TK protein kinase group","AGC protein kinase group","CMGC protein kinase group","Atypi
cal protein kinase group","TKL protein kinase RAF family","TKL protein kinase STKR family","STE protein kinase STE20 family","CK1 protein kinase CK1 family","Tyrosine protein kinase JakA family","Tyro
sine protein kinase Abl family","AGC protein kinase DMPK family","STE protein kinase STE11 family","STE protein kinase STE7 family","CMGC protein kinase MAPK family","TKL protein kinase RIPK family","
Atypical protein kinase RIO family","Tyrosine protein kinase EGFR family","TKL protein kinase STKR Type 1 subfamily","STE protein kinase MSN subfamily","STE protein kinase SLK subfamily","AGC protein 
kinase CRIK subfamily","CMGC protein kinase JNK subfamily","Atypical protein kinase RIO2 subfamily","CMGC protein kinase ERK1"}

> <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","CK1: Casein kinase 1","AGC: Containing PKA",PKG
,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Atypical,"TKL: Tyrosine kinase-like","STE20 family","Casein kinase 1 (CK1) family","TK: Tyrosine kinase","DMPK family","STE7 family","Mi
togen-activated protein kinases (MAP kinases)","RIO family","RAF family","Receptor serine/threonine kinase (RSTK) family","MSN subfamily","SLK subfamily","Non-receptor tyrosine kinases (nRTKs)","Other
 DMPK family kinases","STE20 subfamily","JNK subfamily","Receptor interacting protein kinase (RIPK) family","RIO2 subfamily","Receptor tyrosine kinases (RTKs)","Type I receptor serine/threonine kinase
s","Janus kinase (JakA) family","Abl family","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Cellular responses to external stimuli","Immune System","Cell Cycle","Developmental Biology","Metabolism of RNA","Signaling by Receptor Tyrosine Kinases","Diseases of s
ignal transduction by growth factor receptors and second messengers","Cellular responses to stress","Innate Immune System",Mitotic,"Cytokine Signaling in Immune system","Infectious disease","Signaling
 by Rho GTPases","Signaling by NODAL","MAPK family signaling cascades","rRNA processing","Signaling by TGFB family members","Intracellular signaling by second messengers","Signaling by NTRKs","Signali
ng by TGF-beta Receptor Complex in Cancer","Cellular Senescence","Neutrophil degranulation","Mitotic G2-G2/M phases","Interferon Signaling","Leishmania infection","RHO GTPase Effectors","Regulation of
 signaling by NODAL","MAPK1/MAPK3 signaling","Toll-like Receptor Cascades","rRNA processing in the nucleus and cytosol","Signaling by BMP","PIP3 activates AKT signaling","Signaling by NTRK1 (TRKA)","L
oss of Function of SMAD2/3 in Cancer","Oxidative Stress Induced Senescence","G2/M Transition","Antiviral mechanism by IFN-stimulated genes","Parasite infection","RHO GTPases activate CIT","RAF/MAP kin
ase cascade","Toll Like Receptor 5 (TLR5) Cascade","Major pathway of rRNA processing in the nucleolus and cytosol","Negative regulation of the PI3K/AKT network","Signalling to ERKs","SMAD2/3 Phosphory
lation Motif Mutants in Cancer","Centrosome maturation","ISG15 antiviral mechanism","Leishmania phagocytosis","Signalling to ERK5","Negative regulation of MAPK pathway","MyD88 cascade initiated on pla
sma membrane",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Prolonged ERK activation events","Loss of proteins required for interphase microtubule organization from the centrosome","FCGR3A-mediate
d phagocytosis","Negative feedback regulation of MAPK pathway","MAP kinase activation","ARMS-mediated activation","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP k
inases","activated TAK1 mediates p38 MAPK activation","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{BRAF}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{DC087,GDC-0879,GDC0879,905281-76-7,905281767,CHEBI:83405,CHEMBL525191,"GDC 0879",cc-213,cc213,SCHEMBL2467603,DTXSID00471110,BCPP000222,AMY20724,EX-A2357,EXA2357,"GDC-0879,GDC0879","GDC0879,GDC0879",G
DC-0879/GDC0879,GDC0879/GDC0879,ABP000427,BDBM50029085,s1104,ZINC34640412,AKOS015856553,BCP9000714,CCG-264821,CCG264821,C,S1104}

> <pdid>
PD003230

> <targets>
{B-Raf,Raf}

> <classes>
{}

> <pubchem_cids>
{11717001}

$$$$
Broad_2021
  SciTegic11012413022D

 85 85  0  0  0  0            999 V2000
   -1.6658    1.2332    0.0000 C   0  0
   -1.4013   -0.2433    0.0000 C   0  0
    0.0000   -0.7500    0.0000 C   0  0
    1.3000   -2.2500    0.0000 N   0  0
    1.3000   -3.7500    0.0000 C   0  0
    0.0011   -4.5002    0.0000 O   0  0
    2.6000   -4.5000    0.0000 C   0  0
    4.0786   -4.2424    0.0000 C   0  0
    5.0400   -5.3937    0.0000 O   0  0
    4.5956   -2.8335    0.0000 C   0  0
    3.9547   -2.0659    0.0000 C   0  0
    6.0742   -2.5759    0.0000 C   0  0
    7.0373   -3.7269    0.0000 C   0  0
    8.5158   -3.4693    0.0000 C   0  0
    9.1575   -4.2363    0.0000 C   0  0
    2.6000   -6.0000    0.0000 N   0  0
    1.3011   -6.7502    0.0000 C   0  0
    3.9000   -6.7500    0.0000 C   0  0
    3.9000   -8.2500    0.0000 O   0  0
    5.2000   -6.0000    0.0000 C   0  0
    6.1671   -4.8523    0.0000 C   0  0
    7.1516   -5.0273    0.0000 C   0  0
    5.8267   -3.9120    0.0000 C   0  0
    6.5000   -6.7500    0.0000 N   0  0
    6.5000   -8.2500    0.0000 C   0  0
    7.8000   -6.0000    0.0000 C   0  0
    7.8000   -5.0000    0.0000 O   0  0
    9.1000   -6.7500    0.0000 C   0  0
    9.1031   -8.2508    0.0000 C   0  0
   10.4039   -8.9994    0.0000 C   0  0
   10.4070  -10.4994    0.0000 C   0  0
   11.2691   -8.4979    0.0000 C   0  0
   10.4000   -6.0000    0.0000 N   0  0
   10.4000   -5.0000    0.0000 C   0  0
   11.7000   -6.7500    0.0000 C   0  0
   11.7000   -7.7500    0.0000 O   0  0
   13.0000   -6.0000    0.0000 C   0  0
   14.3013   -6.7478    0.0000 C   0  0
   15.6000   -5.9955    0.0000 C   0  0
   16.9005   -6.7428    0.0000 C   0  0
   15.5982   -4.9955    0.0000 C   0  0
   13.0000   -4.5000    0.0000 N   0  0
   11.7011   -3.7498    0.0000 C   0  0
   14.3000   -3.7500    0.0000 C   0  0
   15.1659   -4.2501    0.0000 O   0  0
   14.3000   -2.2500    0.0000 C   0  0
   13.0011   -1.4998    0.0000 C   0  0
   15.6000   -1.5000    0.0000 N   0  0
   15.6000    0.0000    0.0000 C   0  0
   16.8989    0.7502    0.0000 O   0  0
   14.3000    0.7500    0.0000 C   0  0
   13.0011   -0.0002    0.0000 C   0  0
   14.3000    2.2500    0.0000 N   0  0
   13.0000    3.0000    0.0000 C   0  0
   11.7011    2.2498    0.0000 O   0  0
   13.0000    4.5000    0.0000 C   0  0
   14.2982    5.2531    0.0000 C   0  0
   14.2961    6.7539    0.0000 C   0  0
   15.5935    7.5066    0.0000 C   0  0
   12.9957    7.5016    0.0000 C   0  0
   11.7000    5.2500    0.0000 N   0  0
   11.7000    6.7500    0.0000 C   0  0
   10.4000    4.5000    0.0000 C   0  0
   10.4000    3.0000    0.0000 O   0  0
    9.1000    5.2500    0.0000 C   0  0
    7.8000    4.5000    0.0000 N   0  0
    6.5000    5.2500    0.0000 C   0  0
    6.5000    6.7500    0.0000 O   0  0
    5.2000    4.5000    0.0000 C   0  0
    5.1969    2.9992    0.0000 C   0  0
    6.4946    2.2453    0.0000 C   0  0
    6.4916    0.7453    0.0000 C   0  0
    7.3619    2.7432    0.0000 C   0  0
    3.9000    5.2500    0.0000 N   0  0
    3.9000    6.7500    0.0000 C   0  0
    2.6000    4.5000    0.0000 C   0  0
    1.3011    5.2502    0.0000 O   0  0
    2.6000    3.0000    0.0000 C   0  0
    1.3000    2.2500    0.0000 N   0  0
    0.0011    3.0002    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.7054    0.2257    0.0000 O   0  0
    9.0969    6.7508    0.0000 C   0  0
    7.7968    7.4990    0.0000 C   0  0
   10.3946    7.5031    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
  8  9  1  0
  8 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  7 16  1  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 20 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 28 33  1  0
 33 34  1  0
 33 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 39 41  1  0
 37 42  1  0
 42 43  1  0
 42 44  1  0
 44 45  2  0
 44 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 49 50  2  0
 49 51  1  0
 51 52  1  0
 51 53  1  0
 53 54  1  0
 54 55  2  0
 54 56  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 58 60  1  0
 56 61  1  0
 61 62  1  0
 61 63  1  0
 63 64  2  0
 63 65  1  0
 65 66  1  0
 66 67  1  0
 67 68  2  0
 67 69  1  0
 69 70  1  0
 70 71  1  0
 71 72  1  0
 71 73  1  0
 69 74  1  0
 74 75  1  0
 74 76  1  0
 76 77  2  0
 76 78  1  0
 78 79  1  0
 79 80  1  0
 79 81  1  0
 81  3  1  0
 81 82  2  0
 65 83  1  0
 83 84  1  0
 83 85  1  0
M  END
> <name>
Broad_2021

> <id>
33802

> <plate>
Plate_1

> <well>
N19

> <supplier_cmpd_name>
Cyclosporin A

> <ctcr_id>
3810

> <supplier_cmpd_id>
Cyclosporin A

> <smiles>
CCC1NC(=O)C(C(O)C(C)C\C=C\C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C

> <pd_targets>
{ABCB1,ABCC2,NPSR1,ABCB11,NFO,APEX1,BLM,FTL,LMNA,NS1,POLB,GMNN,MAPT,PMP22,KMT2A,MEN1,PPIA,SLCO1B3,MTOR,SLCO1B1,FKBP1B,FPR1,CYP3A4,CYP3A43,CYP3A5,CYP3A7,FKBP1A,CYP2C19,PPID,FKBP4,PPP3CA,PPIB,ATP2A1,UGT
1A1,PPP3CC,REP,IL2,ABCB1B,ABCC1,CYP2C9,SLC10A1,ABCG2,UGT1A4,CACNA1C,TACR2,SLCO2B1,ABCC3,POL,ABCB1A,SLC10A2,PIK3CG,CAMLG,PPP3R2,PPIF}

> <pathway_gtopdb>
{Transporter,"Membrane receptor",Enzyme,"Unclassified protein","Other nuclear protein","Other cytosolic protein","Epigenetic regulator","Secreted protein","Ion channel","Primary active transporter","F
amily A G protein-coupled receptor",Hydrolase,Protease,Reader,Isomerase,"Electrochemical transporter",Kinase,"Cytochrome P450",Phosphatase,Transferase,"Voltage-gated ion channel","ATP-binding cassette
","Peptide receptor (family A GPCR)","Cysteine protease",Bromodomain,"SLC superfamily of solute carriers","Protein Kinase","Cytochrome P450 family 3","Cytochrome P450 family 2","Protein Phosphatase","
P-type ATPase","Voltage-gated calcium channel","ABCB subfamily","ABCC subfamily","Short peptide receptor (family A GPCR)","Cysteine protease CA clan","SLC21/SLCO family of organic anion transporting p
olypeptides","Atypical protein kinase group","N-formyl methionyl peptide receptor","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Serine/threonine protein phosphatase","Calcium ATPase","SLC1
0 family of sodium-bile acid co-transporters","ABCG subfamily","Neuropeptide receptor","Cysteine protease C1A family","Atypical protein kinase PIKK family","Cytochrome P450 3A4","Cytochrome P450 2C19"
,"Cytochrome P450 2C9","Neurokinin receptor","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Transporters,Receptors,Enzymes,"Other protein targets","Ion channels","ATP-binding cassette transporter family","G protein-coupled receptors","Peptidyl-prolyl cis/trans isomerases","SLC superfamily o
f solute carriers","Kinases (EC 2.7.x.x)","Cytochrome P450","P-type ATPases","UDP glucuronosyltransferases (UGT)","Anti-infective targets","Voltage-gated ion channels","ABCB subfamily","ABCC subfamily
","Neuropeptide S receptor","SLCO family of organic anion transporting polypeptides",Atypical,"Formylpeptide receptors","CYP3 family","CYP2 family: drug metabolising subset","P2A P-type ATPases: Ca<su
p>2+</sup>-ATPases","Viral protein targets","SLC10 family of sodium-bile acid co-transporters","ABCG subfamily","Voltage-gated calcium channels","Tachykinin receptors","Lipid modifying kinases","Phosp
hatidyl inositol 3' kinase-related kinases (PIKK) family","Coronavirus (CoV) proteins",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","FRAP subfamily"}

> <pathway_reactome>
{Metabolism,Disease,"DNA Repair","Vesicle-mediated transport","Cell Cycle","Neuronal System","Developmental Biology","Gene expression (Transcription)","Muscle contraction","Signal Transduction","Cellu
lar responses to external stimuli","Extracellular matrix organization",Hemostasis,"Transport of small molecules","Protein localization","Abacavir transport and metabolism","Disorders of transmembrane 
transporters","Infectious disease","Metabolism of lipids","Base Excision Repair","DNA Double-Strand Break Repair","Membrane Trafficking",Mitotic,"Transmission across Chemical Synapses","Nervous system
 development","RNA Polymerase II Transcription","Cardiac conduction","Signaling by GPCR","Diseases of signal transduction by growth factor receptors and second messengers","Biological oxidations","Sig
naling by Nuclear Receptors","Cellular responses to stress","Collagen formation","Platelet homeostasis","Diseases of metabolism","SLC-mediated transmembrane transport","Insertion of tail-anchored prot
eins into the endoplasmic reticulum membrane","Abacavir transmembrane transport","ABC transporter disorders","Leishmania infection","Metabolism of steroids","Resolution of Abasic Sites (AP sites)","Ho
mology Directed Repair","trans-Golgi Network Vesicle Budding","M Phase","Mitotic G1 phase and G1/S transition","Neurotransmitter receptors and postsynaptic signal transmission","EGR2 and SOX10-mediate
d initiation of Schwann cell myelination","HIV Infection","Generic Transcription Pathway","Ion homeostasis","GPCR ligand binding","Signaling by TGF-beta Receptor Complex in Cancer","Biosynthesis of sp
ecialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","ESR-mediated signaling","Cellular response to heat stress","GPCR downstream signalling","Collagen biosynthesis and 
modifying enzymes","Platelet calcium homeostasis","Metabolic disorders of biological oxidation enzymes","SARS-CoV Infections","Fatty acid metabolism","Axon guidance","Transport of vitamins",nucleoside
s,"and related molecules","Phospholipid metabolism","Defective ABCC2 causes DJS","Leishmania parasite growth and survival","Bile acid and bile salt metabolism","Resolution of AP sites via the multiple
-nucleotide patch replacement pathway","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Golgi Associated Vesicle Biogenesis","Mitotic Metaphase and Anaphase","G1/S Transi
tion","Activation of NMDA receptors and postsynaptic events","HIV Life Cycle","Transcriptional Regulation by TP53","Class A/1 (Rhodopsin-like receptors)","Loss of Function of TGFBR1 in Cancer","Biosyn
thesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","HSF1-dependent transactivation","G alpha (i) signalling events","Reduction of cytosolic Ca++ levels","Defective UGT1A1 cause
s hyperbilirubinemia","SARS-CoV-2 Infection","Transcriptional regulation by RUNX1","Arachidonic acid metabolism","Defective UGT1A4 causes hyperbilirubinemia","NCAM signaling for neurite out-growth","T
ransport of organic anions","PI Metabolism","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of bile acids and bile salts","PCNA-Dependent Long Patch Base Excision Repai
r","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Activation of the pre-replicative complex","Post NMDA receptor activation events","Early Phase of HIV Life Cycle","Recycling of bile
 acids and salts","Regulation of TP53 Activity","Peptide ligand-binding receptors","TGFBR1 LBD Mutants in Cancer","Biosynthesis of maresins",Xenobiotics,"Attenuation phase","Opioid Signalling","SARS-C
oV-2 Genome Replication and Transcription","RUNX1 and FOXP3 control the development of regulatory T lymphocytes (Tregs)","Synthesis of Leukotrienes (LT) and Eoxins (EX)","NCAM1 interactions","Synthesi
s of PIPs at the plasma membrane","ADORA2B mediated anti-inflammatory cytokines production","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Homologous DNA Pairing and Strand Ex
change","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Reverse Transcription of HIV RNA","Regulation of TP53 Expression and Degradation","Formyl peptide receptors bind f
ormyl peptides and many other ligands","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","DARPP-32 events","Replication of the SARS-CoV-2 genome","Tachykinin receptors bind tachykinins","Presynap
tic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Minus-strand DNA synthesis","Regulation of TP53 Degradation"}

> <broad_targets>
{ABCB11,CAMLG,FPR1,PPIA,PPIF,PPP3CA,PPP3R2,SLC10A1,SLCO1B1,SLCO1B3}

> <broad_moa>
{"calcineurin inhibitor"}

> <synonyms>
{"cyclosporin A",cyclosporine,"Cyclosporine A",Cyclosporin,59865-13-3,59865133,"Antibiotic S 7481F1","Ciclosporin A",SR-01000075490,SR01000075490,NSC290193,NSC-290193,"Sandimmune (TN)","Restasis (TN)"
,83602-39-5,83602395,"Gengraf (TN)","Cyclosporin A, Tolypocladium inflatum",1101,1502202,"Cyclosporin A",CYCLOSPORINE}

> <pdid>
PD001363

> <targets>
{}

> <classes>
{immunosuppressant}

> <pubchem_cids>
{5280754}

$$$$
Broad_2021
  SciTegic11012413022D

 21 21  0  0  0  0            999 V2000
    7.5987    0.5881    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1953    1.5031    0.0000 N   0  0
   -5.1932    3.0039    0.0000 C   0  0
   -6.4914    3.7570    0.0000 C   0  0
   -6.4893    5.2570    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.0114   -1.7530    0.0000 N   0  0
   -4.4013   -3.1233    0.0000 C   0  0
   -2.9095   -2.9665    0.0000 C   0  0
   -1.9057   -4.0811    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.0987    0.5881    0.0000 H   0  3
  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
  8 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 13  1  0
 18 19  1  0
 19  6  1  0
 19 20  2  0
 20  3  1  0
M  CHG  2   1  -1  21   1
M  END
> <name>
Broad_2021

> <id>
33803

> <plate>
Plate_1

> <well>
O19

> <supplier_cmpd_name>
BMS 345541

> <ctcr_id>
8363

> <supplier_cmpd_id>
BMS 345541

> <smiles>
[Cl-].Cc1ccc2nc(NCCN)c3ncc(C)n3c2c1.[H+]

> <pd_targets>
{IKBKB,CHUK,CDK16,RPS6KA4,AURKB,STK36,TYK2,RPS6KA1,MAPK15,RORC,DCLK3,RPS6KA6,TAOK1,PRKD1,CDK11B,CSNK1D,CDK2,PKNB,CDK13,PRKD3,DYRK2,CDK1,CDK9,ERN1,PRKD2,CDK11A,HIPK4,MYLK4,MAPK7,CDK7,MAPK6,KIT,MAP3K19,
LIMK1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Kinase,"Nuclear receptor",Transferase,"Protein Kinase","Nuclear hormone receptor subfamily 1","Other protein kinase group","CMGC protein kinase group","AGC protein kinas
e group","TK protein kinase group","Nuclear hormone receptor subfamily 1 group F","CAMK protein kinase group","STE protein kinase group","CK1 protein kinase group","TKL protein kinase group","Other pr
otein kinase IKK family","CMGC protein kinase CDK family","AGC protein kinase RSK family","Other protein kinase AUR family","Other protein kinase ULK family","Tyrosine protein kinase JakA family","CMG
C protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","CAMK protein kinase DCAMK1 family","STE protein kinase STE20 family","CAMK protein kinase PKD family","CK1 protei
n kinase CK1 family","CMGC protein kinase DYRK family","CAMK protein kinase MLCK family","Tyrosine protein kinase PDGFR family","STE protein kinase STE11 family","TKL protein kinase LISK family","CMGC
 protein kinase TAIRE subfamily","AGC protein kinase MSK subfamily","AGC protein kinase RSK subfamily","STE protein kinase TAO subfamily","CMGC protein kinase PITSLRE subfamily","CMGC protein kinase C
DC2 subfamily","CMGC protein kinase Dyrk2 subfamily","CMGC protein kinase CDK9 subfamily","CMGC protein kinase HIPK subfamily","CMGC protein kinase ERK5","CMGC protein kinase CDK7 subfamily","CMGC pro
tein kinase ERK3","TKL protein kinase LIMK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families",
"1F. Retinoic acid-related orphans","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CK1: Casein kinase 1","Other protein kina
ses","Cyclin-dependent kinase (CDK) family","RSK family","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","DCAMKL family","STE20 family","Protein kinase D (PKD) family","Casein 
kinase 1 (CK1) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Myosin Light Chain Kinase (MLCK) family","TKL: Tyrosine kinase-like","IKK family","TAIRE subfamil
y","MSK subfamily","Aurora kinase (Aur) family","Unc-51-like kinase (ULK) family","Non-receptor tyrosine kinases (nRTKs)","RSK subfamily","Erk7 subfamily","TAO subfamily","PITSLRE subfamily","CDK1 sub
family","CRK7 subfamily","Dyrk2 subfamily","CDK9 subfamily","IRE family","HIPK subfamily","ERK subfamily","CDK7 subfamily","Receptor tyrosine kinases (RTKs)","STE20 subfamily","LIM domain kinase (LISK
) family","Janus kinase (JakA) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","LIMK subfamily"}

> <pathway_reactome>
{"Immune System","Developmental Biology","Cell Cycle","Gene expression (Transcription)","Neuronal System",Metabolism,Disease,"Metabolism of proteins","Signal Transduction","Innate Immune System","Nerv
ous system development",Mitotic,"Cytokine Signaling in Immune system","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Metabolism of lipids","Infectious disease","Unfolded Pr
otein Response (UPR)","MAPK family signaling cascades","Diseases of signal transduction by growth factor receptors and second messengers","Toll-like Receptor Cascades","Axon guidance","M Phase","Inter
feron Signaling","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","Sphingolipid metabolism","Mitotic G2-G2/M phases","Regulation of mitotic cell cycle"
,"HIV Infection","IRE1alpha activates chaperones","MAPK6/MAPK4 signaling","Signaling by KIT in disease","Toll Like Receptor 4 (TLR4) Cascade","L1CAM interactions","Mitotic Metaphase and Anaphase","Int
erferon alpha/beta signaling","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX3","Activation of NMDA receptors and postsynaptic events","Sphingolipid de novo biosynthesis","G2
/M Transition","Transcriptional Regulation by TP53","APC/C-mediated degradation of cell cycle proteins","HIV Life Cycle","Drug resistance of KIT mutants","Semaphorin interactions","MyD88-independent T
LR4 cascade","Recycling pathway of L1","Mitotic Anaphase","Regulation of IFNA signaling","MyD88 cascade initiated on plasma membrane","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA re
ceptor activation events","Centrosome maturation","Regulation of TP53 Activity","TP53 Regulates Transcription of DNA Repair Genes","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic 
proteins","Late Phase of HIV Life Cycle","Dasatinib-resistant KIT mutants","Sema4D in semaphorin signaling","TRIF(TICAM1)-mediated TLR4 signaling","Separation of Sister Chromatids","MAP kinase activat
ion","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Recruitment of mitotic centrosome proteins and complexes","Loss of proteins required for interphase microtubule
 organization from the centrosome","Regulation of TP53 Expression and Degradation","Regulation of TP53 Activity through Phosphorylation","APC/C:Cdc20 mediated degradation of mitotic proteins","Transcr
iption of the HIV genome","Sema4D induced cell migration and growth-cone collapse","IKK complex recruitment mediated by RIP1","MAPK targets/ Nuclear events mediated by MAP kinases","RSK activation","L
oss of Nlp from mitotic centrosomes","Regulation of TP53 Degradation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","HIV Transcription Elong
ation","CREB phosphorylation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Tat-mediated elongation of the HIV-1 transcript","ERK/MAPK targets","Formation of HIV-1 elongation complex contain
ing HIV-1 Tat","ERKs are inactivated"}

> <broad_targets>
{CHUK,IKBKB}

> <broad_moa>
{"IKK inhibitor"}

> <synonyms>
{4775723,547757-23-3,547757233,BMS-345541,BMS345541,"BMS 345541","BMS-345541 (hydrochloride)","BMS345541 (hydrochloride)",UNII-BXU277OCN5,UNIIBXU277OCN5,"BMS-345541 HCl","BMS345541 HCl",BXU277OCN5,"BM
S-345541 hydrochloride","BMS345541 hydrochloride",CHEMBL471496,"547757-23-3 (HCl)","547757233 (HCl)",C14H17N5.ClH,MLS006010273,SCHEMBL14141907,DTXSID70203243,AOB33720,BCP06515,T6326,4806}

> <pdid>
PD003529

> <targets>
{IKK}

> <classes>
{NF-ºB}

> <pubchem_cids>
{9926054}

$$$$
Broad_2021
  SciTegic11012413022D

 14 14  0  0  0  0            999 V2000
    3.8634    3.7731    0.0000 Cl  0  0
    3.8627    2.2731    0.0000 C   0  0
    2.5631    1.5224    0.0000 C   0  0
    2.5625    0.0216    0.0000 N   0  0
    1.2990   -0.7500    0.0000 P   0  0
    1.2623   -2.2495    0.0000 O   0  0
    1.2990    0.7500    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 N   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2494    0.0000 Cl  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
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  5  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
M  END
> <name>
Broad_2021

> <id>
33804

> <plate>
Plate_1

> <well>
P19

> <supplier_cmpd_name>
Ifosfamide

> <ctcr_id>
6550

> <supplier_cmpd_id>
Ifosfamide

> <smiles>
ClCCN[P]1(=O)OCCCN1CCCl

> <pd_targets>
{KMT2A,MEN1,LMNA,AMPC}

> <pathway_gtopdb>
{"Epigenetic regulator","Other nuclear protein",Enzyme,Reader,Hydrolase,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{CYP2A6,CYP2B6,CYP2C18,CYP2C19,CYP2C8,CYP2C9,CYP3A4,CYP3A5,CYP3A7,PTGS1}

> <broad_moa>
{"DNA alkylating agent"}

> <synonyms>
{ifosfamide,Isophosphamide,3778-73-2,3778732,Iphosphamide,Isofosfamide,Ifosfamid,Mitoxana,Ifex,Iphosphamid,Isoendoxan,Naxamide,I-Phosphamide,IPhosphamide,Holoxan,Cyfos,Ifsofamide,"Holoxan 1000","ASTA 
Z 4942",Ifosfamida,Ifosfamidum,"MJF 9325",isosfamide,NCI-C01638,NCIC01638,MJ,T1055,109724,S1302,1505480,Prestw-833,"NSC 109724",Ifosfamide,IFOSFAMIDE}

> <pdid>
PD000385

> <targets>
{DNA Alkylator/Crosslinker}

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

> <pubchem_cids>
{3690}

$$$$
Broad_2021
  SciTegic11012413022D

 73 76  0  0  0  0            999 V2000
  -10.7377    1.1027    0.0000 C   0  0
   -9.7100    0.0100    0.0000 C   0  0
  -10.1800   -1.4400    0.0000 C   0  0
   -9.2500   -2.5000    0.0000 C   0  0
   -7.8600   -2.2400    0.0000 C   0  0
   -6.8600   -3.4400    0.0000 C   0  0
   -5.3700   -2.8300    0.0000 C   0  0
   -4.1200   -3.7800    0.0000 C   0  0
   -2.6300   -3.1700    0.0000 C   0  0
   -1.4100   -4.1500    0.0000 C   0  0
    0.1200   -3.6900    0.0000 C   0  0
    1.1200   -4.8600    0.0000 C   0  0
    2.7800   -4.7900    0.0000 C   0  0
    3.3400   -6.2300    0.0000 C   0  0
    4.8700   -6.7500    0.0000 C   0  0
    6.2500   -5.8600    0.0000 C   0  0
    6.5100   -4.2800    0.0000 C   0  0
    7.9504   -3.8613    0.0000 O   0  0
    5.5100   -3.1600    0.0000 C   0  0
    6.4400   -1.8000    0.0000 C   0  0
    5.8000   -0.4000    0.0000 C   0  0
    4.3600   -0.3900    0.0000 C   0  0
    3.4300    0.8000    0.0000 C   0  0
    2.0600    0.3500    0.0000 C   0  0
    1.8870   -1.1400    0.0000 O   0  0
    0.8000    1.1200    0.0000 C   0  0
    0.6400    2.7300    0.0000 C   0  0
   -0.7100    3.2100    0.0000 O   0  0
   -1.9000    2.2900    0.0000 C   0  0
   -1.8545    0.7907    0.0000 O   0  0
   -3.1200    3.1200    0.0000 C   0  0
   -2.6400    4.4900    0.0000 C   0  0
   -3.4600    5.5000    0.0000 C   0  0
   -4.8400    5.2900    0.0000 C   0  0
   -5.4800    3.8300    0.0000 C   0  0
   -4.5400    2.3900    0.0000 N   0  0
   -6.1000    2.2500    0.0000 C   0  0
   -7.0129    3.4402    0.0000 O   0  0
   -6.6100    0.8600    0.0000 C   0  0
   -5.5855   -0.2356    0.0000 O   0  0
   -8.0800    0.4300    0.0000 C   0  0
   -7.2300   -0.9300    0.0000 O   0  0
   -8.4778    1.8763    0.0000 O   0  0
    1.7909    3.6911    0.0000 C   0  0
    3.1995    3.1753    0.0000 C   0  0
    1.5337    5.1698    0.0000 C   0  0
    2.6850    6.1326    0.0000 C   0  0
    2.4301    7.6108    0.0000 C   0  0
    3.5827    8.5707    0.0000 C   0  0
    4.9903    8.0525    0.0000 C   0  0
    5.2453    6.5743    0.0000 C   0  0
    4.0927    5.6144    0.0000 C   0  0
    6.6527    6.0529    0.0000 O   0  0
    6.9056    4.5744    0.0000 C   0  0
    6.1416    9.0153    0.0000 O   0  0
    5.8843   10.4939    0.0000 C   0  0
    4.4758   11.0097    0.0000 O   0  0
    7.0356   11.4568    0.0000 C   0  0
    8.1867   12.4185    0.0000 C   0  0
    6.7783   12.9354    0.0000 C   0  0
    7.9290   13.8977    0.0000 O   0  0
    8.4448   10.9407    0.0000 C   0  0
    9.5964   11.9019    0.0000 O   0  0
    3.8662    2.2352    0.0000 C   0  0
    6.6151    0.8592    0.0000 C   0  0
    7.9345   -1.9281    0.0000 O   0  0
    4.0182   -3.2790    0.0000 O   0  0
    3.1659   -2.0447    0.0000 C   0  0
    7.5042   -6.6827    0.0000 C   0  0
    2.3025   -7.3134    0.0000 C   0  0
   -4.3154   -5.2672    0.0000 C   0  0
   -5.1674   -1.3437    0.0000 O   0  0
   -6.3526   -0.4242    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  1  0
 15 16  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  3
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 31  1  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 39 40  2  0
 39 41  1  0
 41  2  1  0
 41 42  1  0
 42  5  1  0
 41 43  1  0
 27 44  1  0
 44 45  1  0
 44 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  1  0
 52 47  1  0
 51 53  1  0
 53 54  1  0
 50 55  1  0
 55 56  1  0
 56 57  2  0
 56 58  1  0
 58 59  1  0
 58 60  1  0
 60 61  1  0
 58 62  1  0
 62 63  1  0
 23 64  1  0
 21 65  1  0
 20 66  1  0
 19 67  1  0
 67 68  1  0
 16 69  1  0
 14 70  1  0
  8 71  1  0
  7 72  1  0
 72 73  1  0
M  END
> <name>
Broad_2021

> <id>
33805

> <plate>
Plate_1

> <well>
A20

> <supplier_cmpd_name>
Temsirolimus

> <ctcr_id>
4859

> <supplier_cmpd_id>
Temsirolimus

> <smiles>
CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC

> <pd_targets>
{MTOR,ABCC2,ABCC3,ABCC4,ABCB11,FKBP1A}

> <pathway_gtopdb>
{Enzyme,Transporter,Kinase,"Primary active transporter",Isomerase,"Protein Kinase","ATP-binding cassette","Atypical protein kinase group","ABCC subfamily","ABCB subfamily","Atypical protein kinase PIK
K family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","Peptidyl-prolyl cis/trans isomerases",Atypical,"ABCC subfamily","ABCB subfamily","Phosphatidyl inositol 3' kinas
e-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,Metabolism,Hemostasis,"RNA Polymerase II Transcription","Disorders of transmembrane transporters","Metabolism of lipids","Platelet activation","signaling and
 aggregation","Diseases of signal transduction by growth factor receptors and second messengers","Generic Transcription Pathway","ABC transporter disorders","Metabolism of steroids","Response to eleva
ted platelet cytosolic Ca2+","Signaling by TGF-beta Receptor Complex in Cancer","Transcriptional Regulation by TP53","Defective ABCC2 causes DJS","Bile acid and bile salt metabolism","Platelet degranu
lation","Loss of Function of TGFBR1 in Cancer","Regulation of TP53 Activity","Recycling of bile acids and salts","Synthesis of bile acids and bile salts","TGFBR1 LBD Mutants in Cancer","Regulation of 
TP53 Expression and Degradation","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Regulation of TP53 Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{Temsirolimus,162635-04-3,162635043,"162635 04 3",LSM-4295,LSM4295,"LSM 4295",FT-0674847,FT0674847,"FT 0674847",Q27165485,TEMSIROLIMUS}

> <pdid>
PD003551

> <targets>
{mTOR}

> <classes>
{}

> <pubchem_cids>
{148191}

$$$$
Broad_2021
  SciTegic11012413022D

 17 18  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987    1.5004    0.0000 C   0  0  2  0  0  0
   -3.9492    0.8772    0.0000 O   0  0
   -4.9546    1.9903    0.0000 C   0  0  2  0  0  0
   -6.4441    1.8282    0.0000 C   0  0
   -7.0500    0.4561    0.0000 O   0  0
   -4.2067    3.2905    0.0000 C   0  0  1  0  0  0
   -4.8190    4.6599    0.0000 O   0  0
   -2.7390    2.9810    0.0000 C   0  0  1  0  0  0
   -1.6199    3.9798    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  8  2  1  0
  9  6  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  6
 12 13  1  0
 11 14  1  0
 14 15  1  1
 14 16  1  0
 16  9  1  0
 16 17  1  1
M  END
> <name>
Broad_2021

> <id>
33806

> <plate>
Plate_1

> <well>
B20

> <supplier_cmpd_name>
5-Azacytidine

> <ctcr_id>
2127

> <supplier_cmpd_id>
5-Azacytidine

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

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

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

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

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

> <broad_targets>
{DNMT1,DNMT3A}

> <broad_moa>
{"DNA methyltransferase inhibitor"}

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

> <pdid>
PD001379

> <targets>
{}

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

> <pubchem_cids>
{9444}

$$$$
Broad_2021
  SciTegic11012413022D

 34 37  0  0  0  0            999 V2000
    7.7884    1.5181    0.0000 F   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 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
   -3.8994   -3.7478    0.0000 O   0  0
   -5.1981   -2.9955    0.0000 C   0  0
   -6.4993   -3.7433    0.0000 C   0  0
   -7.7980   -2.9910    0.0000 C   0  0
   -9.0993   -3.7387    0.0000 N   0  0
  -10.3984   -2.9888    0.0000 C   0  0
  -11.6975   -3.7388    0.0000 C   0  0
  -11.6975   -5.2388    0.0000 O   0  0
  -10.3985   -5.9888    0.0000 C   0  0
   -9.0994   -5.2388    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 N   0  0
    0.0049   -5.9994    0.0000 C   0  0
    1.3026   -5.2471    0.0000 O   0  0
    0.0080   -7.5002    0.0000 C   0  0
    1.3081   -8.2484    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    5.1852    3.0091    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  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 13 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  0
 24 30  1  0
 30 31  2  0
 31  7  1  0
 31 11  1  0
  5 32  1  0
 32 33  2  0
 33  2  1  0
 33 34  1  0
M  END
> <name>
Broad_2021

> <id>
33807

> <plate>
Plate_1

> <well>
C20

> <supplier_cmpd_name>
Canertinib dihydrochloride

> <ctcr_id>
896

> <supplier_cmpd_id>
Canertinib dihydrochloride

> <smiles>
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl

> <pd_targets>
{KIT,RIOK1,TXK,MKNK1,TEC,TGFBR1,TGFBR2,ABL1,SIK2,BLK,EGFR,LYN,MAP3K20,ABL2,EPHA4,EPHA8,SRMS,YES1,ERBB4,EPHA1,MAP3K4,MAP2K1,FLT1,BMP2K,MAP4K5,BMX,SRC,BTK,LCK,RIPK2,GAK,ITK,FLT3,CTSC,ERBB2,HCK,MINK1,PDG
FRB,SLK,MAPK4,IRAK3,EPHB1,MAPK9,EPHA3,AURKB,AURKC,STK36,FGR,PTK6,JAK3,MAP3K19,LRRK2,AXL,FRK,MKNK2,MAP3K3,STK17B,EPHB6,STK35,CSNK1D,TYRO3,COQ8B,TESK1,CIT,TNNI3K,EPHA5,MAPK6,COQ8A,ERBB3,DYRK2,MAP4K2,ACV
R1,MAPK14,RET,RPS6KA1,MAP3K2,LTK,FYN,EPHB2,MAPK10,STK10,EPHA6,DDR1,EPHA7,MET,PDGFRA,TIE1,ALK,TUBA1A,DYRK1A,MAP2K5,EPHB4,IRAK4,CSNK1E,CSK,MAP2K2,ULK3,HUNK,BMPR1B,HIPK4,IRAK1,MAP3K7,DMPK,STK17A,TNIK,MAP
2K7,SIK3}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Structural protein",Kinase,Protease,"Protein Kinase","Cysteine protease","TK protein kinase group","Atypical protein kinase group","CAMK protein kinase group","TKL prot
ein kinase group","STE protein kinase group","Other protein kinase group","Cysteine protease CA clan","CMGC protein kinase group","CK1 protein kinase group","AGC protein kinase group","Tyrosine protei
n kinase PDGFR family","Atypical protein kinase RIO family","Tyrosine protein kinase Tec family","CAMK protein kinase MAPKAPK family","TKL protein kinase STKR family","Tyrosine protein kinase Abl fami
ly","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Src family","Tyrosine protein kinase EGFR family","TKL protein kinase MLK family","Tyrosine protein kinase Eph family","STE protein kina
se STE11 family","STE protein kinase STE7 family","Tyrosine protein kinase VEGFR family","Other protein kinase NAK family","STE protein kinase STE20 family","TKL protein kinase RIPK family","Cysteine 
protease C1A family","CMGC protein kinase MAPK family","TKL protein kinase IRAK family","Other protein kinase AUR family","Other protein kinase ULK family","Tyrosine protein kinase JakA family","TKL p
rotein kinase LRRK family","Tyrosine protein kinase Axl family","CAMK protein kinase DAPK family","Other protein kinase NKF4 family","CK1 protein kinase CK1 family","Atypical protein kinase ABC1 famil
y","TKL protein kinase LISK family","AGC protein kinase DMPK family","CMGC protein kinase DYRK family","Tyrosine protein kinase Ret family","AGC protein kinase RSK family","Tyrosine protein kinase Alk
 family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Met family","Tyrosine protein kinase Tie family","Tyrosine protein kinase Csk family","Atypical protein kinase RIO1 subfamily","C
AMK protein kinase MNK subfamily","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase STKR Type 2 subfamily","CAMK protein kinase QIK subfamily","TKL protein kinase MLK subfamily","Tyrosine
 protein kinase Srm","STE protein kinase KHS subfamily","STE protein kinase MSN subfamily","STE protein kinase SLK subfamily","CMGC protein kinase ERK3","CMGC protein kinase JNK subfamily","STE protei
n kinase MEKK2","Atypical protein kinase ABC1-A subfamily","TKL protein kinase TESK subfamily","AGC protein kinase CRIK subfamily","TKL protein kinase HH498 subfamily","CMGC protein kinase Dyrk2 subfa
mily","TKL protein kinase STKR1","CMGC protein kinase p38 subfamily","AGC protein kinase RSK subfamily","Tyrosine protein kinase SrcA","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase HIPK s
ubfamily","TKL protein kinase TAK1 subfamily","AGC protein kinase GEK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Catalytic receptors","Kinases (EC 2.7.x.x)","Peptidases and proteinases",Tubulins,"Receptor kinases",Atypical,"CAMK: Calcium/calmodulin-dependent protein ki
nases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CA: Cysteine (C) Peptidases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","AGC: Containing PKA",P
KG,"PKC families","TK: Tyrosine kinase","RIO family","MAPK-Activated Protein Kinase (MAPKAPK) family","TKL: Tyrosine kinase-like","CAMK-like (CAMKL) family","STE11 family","STE7 family","Other protein
 kinases","STE20 family","C1: Papain","Mitogen-activated protein kinases (MAP kinases)","Death-associated kinase (DAPK) family","Casein kinase 1 (CK1) family","ABC1 family","DMPK family","Dual-specifi
city tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","RSK family","Receptor tyrosine kinases (RTKs)","RIO1 subfamily","Non-receptor tyrosine kinases (nRTKs)","MKN subfamily","Receptor ser
ine/threonine kinase (RSTK) family","QIK subfamily","Mixed Lineage Kinase (MLK) family","Numb-associated kinase (NAK) family","KHS subfamily","Receptor interacting protein kinase (RIPK) family","MSN s
ubfamily","SLK subfamily","ERK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","JNK subfamily","Aurora kinase (Aur) family","Unc-51-like kinase (ULK) family","STE20 subfamily","Leu
cine-rich repeat kinase (LRRK) family","NKF4 family","ABC1-B subfamily","LIM domain kinase (LISK) family","Other DMPK family kinases","Dyrk2 subfamily","p38 subfamily","RSK subfamily","Dyrk1 subfamily
","HUNK subfamily","HIPK subfamily","GEK subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Tec family","Type I receptor serine/threonine kinases","Type II receptor serine/threonine ki
nases","Abl family","Src family","Type I RTKs: ErbB (epidermal growth factor) receptor family","MLK subfamily","Type XIII RTKs: Ephrin receptor family","Type IV RTKs: VEGF (vascular endothelial growth
 factor) receptor family","Janus kinase (JakA) family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","TESK subfamily","HH498 subfamily","Type XIV RTKs: RET","Type XIX RTKs: Leukocyte 
tyrosine kinase (LTK) receptor family","Type XVI RTKs: DDR (collagen receptor) family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XII RTKs: TIE family of angiopoietin receptor
s","Csk family","TAK1 subfamily"}

> <pathway_reactome>
{Disease,"Metabolism of RNA","Immune System","Signal Transduction","Gene expression (Transcription)","Developmental Biology","Neuronal System",Metabolism,"Vesicle-mediated transport","Metabolism of pr
oteins","Cellular responses to external stimuli","Cell Cycle","Cell-Cell communication","Extracellular matrix organization","Muscle contraction","Diseases of signal transduction by growth factor recep
tors and second messengers","rRNA processing","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","Infectious disease","RNA Polymerase II Transcriptio
n","Signaling by GPCR","Nervous system development","Signaling by Non-Receptor Tyrosine Kinases","Transmission across Chemical Synapses","Metabolism of lipids","Membrane Trafficking","Adaptive Immune 
System","Post-translational protein modification","Cellular responses to stress","Intracellular signaling by second messengers","MAPK family signaling cascades",Mitotic,"Cell junction organization","S
ignaling by Rho GTPases","Non-integrin membrane-ECM interactions","Signaling by Hedgehog","Signaling by TGFB family members","Cardiac conduction","Signaling by KIT in disease","rRNA processing in the 
nucleus and cytosol","Fc epsilon receptor (FCERI) signaling","Signaling by FGFR","Signaling by Interleukins","Signaling by TGF-beta Receptor Complex in Cancer","Leishmania infection","Generic Transcri
ption Pathway","GPCR downstream signalling","Axon guidance","Signaling by PTK6","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by NTRKs","Signaling by VEGF","Phospholipid
 metabolism","HIV Infection","Toll-like Receptor Cascades","trans-Golgi Network Vesicle Budding","TCR signaling","Signaling by Insulin receptor","Asparagine N-linked glycosylation","Cellular Senescenc
e","PIP3 activates AKT signaling","MAPK6/MAPK4 signaling","M Phase","Mitotic G1 phase and G1/S transition","Mitotic G2-G2/M phases","Cell-extracellular matrix interactions","RHO GTPase Effectors","Neu
trophil degranulation","Signaling by PDGFR in disease","Oncogenic MAPK signaling","Hedgehog 'on' state","Signaling by BMP","Ion homeostasis","Drug resistance of KIT mutants","Major pathway of rRNA pro
cessing in the nucleolus and cytosol","FCERI mediated Ca+2 mobilization","Signaling by FGFR4",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Loss of Function of SMAD2/3 in Cancer","Parasite infec
tion","Transcriptional regulation by RUNX1","G alpha (q) signalling events","Leishmania parasite growth and survival","Signaling by ROBO receptors","EPH-Ephrin signaling","PTK6 Down-Regulation","Activ
ation of NMDA receptors and postsynaptic events","Signaling by NTRK1 (TRKA)","VEGF ligand-receptor interactions","PI Metabolism","Host Interactions of HIV factors","Toll Like Receptor 5 (TLR5) Cascade
","Golgi Associated Vesicle Biogenesis","Generation of second messenger molecules","Insulin receptor signalling cascade","Transport to the Golgi and subsequent modification","Semaphorin interactions",
"Oxidative Stress Induced Senescence","Negative regulation of the PI3K/AKT network","Toll Like Receptor 2 (TLR2) Cascade","Mitotic Metaphase and Anaphase","G1 Phase","Interleukin-2 family signaling","
PTK6 promotes HIF1A stabilization","VEGFA-VEGFR2 Pathway","PTEN Regulation","Interleukin-1 family signaling","G2/M Transition","Regulation of cytoskeletal remodeling and cell spreading by IPP complex 
components","RHO GTPases activate CIT","Transcriptional Regulation by TP53","RET signaling","Drug resistance of PDGFR mutants","G0 and Early G1","Signaling by RAS mutants","Toll Like Receptor 4 (TLR4)
 Cascade","Dasatinib-resistant KIT mutants","Negative regulation of FGFR4 signaling","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Leishmania phagocytosis","RUNX1 regulates transcription of genes
 involved in BCR signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Anti-inflammatory response favouring Leishmania parasite infection","Role of ABL in ROBO-SLIT signaling","EPHA-mediated 
growth cone collapse","Post NMDA receptor activation events","Signalling to ERKs","VEGF binds to VEGFR leading to receptor dimerization","Synthesis of PIPs at the plasma membrane","The role of Nef in 
HIV-1 replication and disease pathogenesis","MyD88 cascade initiated on plasma membrane","IRS-mediated signalling","ER to Golgi Anterograde Transport","Sema4D in semaphorin signaling",PI5P,"PP2A and I
ER3 Regulate PI3K/AKT Signaling","Toll Like Receptor TLR6:TLR2 Cascade","EPHB-mediated forward signaling","Mitotic Anaphase","Cyclin D associated events in G1","Interleukin-15 signaling","Regulation o
f PTEN stability and activity","Interleukin-1 signaling","Centrosome maturation","Regulation of TP53 Activity","Imatinib-resistant PDGFR mutants","Signalling to ERK5","Signaling downstream of RAS muta
nts","MyD88-independent TLR4 cascade","Spry regulation of FGF signaling","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","FCGR3A-mediated IL10 synthesis","Long-term potentiation","Pro
longed ERK activation events","Signalling to RAS","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","MAP kinase activation","PI3K Cascade","Cargo concent
ration in the ER","Sema4D induced cell migration and growth-cone collapse","Nef and signal transduction","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Separation of Sister Chromatids","Loss
 of proteins required for interphase microtubule organization from the centrosome","Regulation of TP53 Activity through Phosphorylation","Sema4D mediated inhibition of cell attachment and migration","
TRIF(TICAM1)-mediated TLR4 signaling","Frs2-mediated activation","p38MAPK events","Nef Mediated CD4 Down-regulation","activated TAK1 mediates p38 MAPK activation","MAPK targets/ Nuclear events mediate
d by MAP kinases","Loss of Nlp from mitotic centrosomes","TRAF6-mediated induction of TAK1 complex within TLR4 complex","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human
 TAK1","Activation of the AP-1 family of transcription factors","CREB phosphorylation"}

> <broad_targets>
{AKT1,EGFR,ERBB2,ERBB4}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{I1033(CANERTINIB,Canertinib,267243-28-7,267243287,CI-1033,CI1033,"Canertinib (CI-1033)","Canertinib (CI1033)",UNII-C78W1K5ASF,UNIIC78W1K5ASF,PD-183805,PD183805,"Canertinib free base",C78W1K5ASF,CHEMB
L31965,CHEBI:61399,"267243-28-7 (free base)","267243287 (free base)",NCGC00182713-01,NCGC0018271301,CI-1033(Canertinib),CI1033(Canertinib),"Canertinib (INN:BAN)",PubCh,T2501,T6136,S1019,"Canertinib di
hydrochloride",canertinib,CANERTINIB}

> <pdid>
PD003440

> <targets>
{HER2,HER1/2/4}

> <classes>
{}

> <pubchem_cids>
{156414}

$$$$
Broad_2021
  SciTegic11012413022D

 28 31  0  0  1  0            999 V2000
    2.2703   -4.0022    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0  2  0  0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -0.8660    2.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.0000    0.5000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
   -0.8141   -2.0807    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0  2  0  0  0
   -0.6870   -2.7320    0.0000 O   0  0
    0.7500   -4.3800    0.0000 C   0  0
    2.2230   -4.6635    0.0000 O   0  0
   -0.2322   -5.5148    0.0000 C   0  0
    0.2584   -6.9323    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14  8  1  0
 14 15  1  6
 14 16  1  0
 16  5  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  0
 21  4  1  0
 21 22  1  6
 21 23  1  0
 23  2  1  0
 23 24  1  1
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
M  END
> <name>
Broad_2021

> <id>
33808

> <plate>
Plate_1

> <well>
D20

> <supplier_cmpd_name>
Dexamethasone

> <ctcr_id>
7054

> <supplier_cmpd_id>
Dexamethasone

> <smiles>
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{dexamethasone,50-02-2,50022,Decadron,Maxidex,Dexamethazone,Dexasone,Hexadrol,Oradexon,"Prednisolone F",Cortisumman,Decaspray,Desametasone,Hexadecadrol,Millicorten,Auxiron,Calonat,Dexacort,Dexason,Azi
um,Fluormethylprednisolone,Aeroseb-Dex,AerosebDex,Deltafluor,T1076,T1652,11015,S1322,SAM002548948,"Dexamethasone (DHAP)",Betamethasone,CPD001227192}

> <pdid>
PD002388

> <targets>
{"IL Receptor"}

> <classes>
{}

> <pubchem_cids>
{5743}

$$$$
Broad_2021
  SciTegic11012413022D

 33 36  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0  1  0  0  0
   -5.1953    1.5031    0.0000 O   0  0
   -5.1932    3.0039    0.0000 C   0  0
   -3.8929    3.7516    0.0000 O   0  0
   -6.4914    3.7570    0.0000 C   0  0
   -6.4915    5.2570    0.0000 C   0  0
   -7.7905    6.0070    0.0000 C   0  0
   -7.7905    7.5070    0.0000 O   0  0
   -9.0896    5.2570    0.0000 C   0  0
  -10.3886    6.0071    0.0000 O   0  0
   -9.0896    3.7570    0.0000 C   0  0
  -10.3886    3.0071    0.0000 O   0  0
   -7.7906    3.0070    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -5.1993   -3.0005    0.0000 C   0  0
   -6.4995   -3.7484    0.0000 C   0  0
   -6.5019   -5.2484    0.0000 O   0  0
   -7.7973   -2.9964    0.0000 C   0  0
   -9.0976   -3.7443    0.0000 O   0  0
   -7.7950   -1.4964    0.0000 C   0  0
   -9.0928   -0.7443    0.0000 O   0  0
   -6.4947   -0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  6
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 20 12  1  0
  8 21  1  0
 21 22  1  0
 22 23  1  0
 23  6  1  0
 23 24  2  0
 24  2  1  0
 21 25  1  6
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 31 33  2  0
 33 25  1  0
M  END
> <name>
Broad_2021

> <id>
33809

> <plate>
Plate_1

> <well>
E20

> <supplier_cmpd_name>
(-)-Epigallocatechin Gallate

> <ctcr_id>
1029

> <supplier_cmpd_id>
(-)-Epigallocatechin Gallate

> <smiles>
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c4cc(O)c(O)c(O)c4

> <pd_targets>
{PGD,CREBBP,HSPD1,HSPE1,RAD52,FABG,MET,MAPT,POS-1,DYRK1A,APP,KAT2B,REP,POL,FABI,BCL2,MMP14,POLB,ZWF1,RECQL,GAA,BACE1,TERT,PIN1,KAT5,TTR,GROES,GROL,STAT1,SQLE,MMP2,ELANE,TDP1,PKM,FASN,PTGES,CNR1,PSMB5,
FABZ,MEX-5,KMT2A,MEN1,EP300,TST,ATP2A1,CNR2,KDM4E,TGR,FFP,MAPK14,MMP7,ALD,DPP4,MAPKAPK5,ABCB1,NS3,DNMT1,PGAM1,HSP90AB1,APEX1,CYP3A4,HSD17B10,KCNH2,MAPK1,BLM,GALK1,ALDH1A1,ALOX15,USP2,HPGD}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein","Other nuclear protein","Transcription factor","Membrane receptor","Ion channel","Secreted protein","Unclassified protein",Transporter,Oxidored
uctase,Writer,Kinase,Transferase,Hydrolase,"Other ion channel",Protease,Isomerase,Reader,"Family A G protein-coupled receptor","Primary active transporter",Eraser,"Histone acetyltransferase","Protein 
Kinase","Miscellaneous ion channel","Metallo protease","Aspartic protease","Methyl-lysine/arginine binding protein","Serine protease","Small molecule receptor (family A GPCR)","Threonine protease",Bro
modomain,"P-type ATPase","Lysine demethylase","ATP-binding cassette","DNA methyltransferase","p300/CBP family","TK protein kinase group","CMGC protein kinase group","GNAT family","Bcl-2 family","Metal
lo protease MAM clan","Aspartic protease AA clan",Chromodomain,"Serine protease PA clan","Lipid-like ligand receptor (family A GPCR)","Threonine protease PBT clan","Calcium ATPase","Jumonji domain-con
taining","Serine protease SC clan","CAMK protein kinase group","ABCB subfamily","Tyrosine protein kinase Met family","CMGC protein kinase DYRK family","Metallo protease M10A subfamily","Aspartic prote
ase A1A subfamily","Serine protease S1A subfamily","Cannabinoid receptor","Threonine protease T1A subfamily","CMGC protein kinase MAPK family","Serine protease S9B subfamily","CAMK protein kinase MAPK
APK family","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase p38 subfamily","CAMK protein kinase MAPKAPK subfamily","Cytochrome P450","Voltage-gated ion channel","Cytochrome P450 family 3","
Potassium channels","Cysteine protease","Cytochrome P450 family 3A","Voltage-gated potassium channel","Cysteine protease CA clan","Cytochrome P450 3A4","Cysteine protease C19 family","CMGC protein kin
ase ERK1"}

> <pathway_chembl>
{"Other protein targets",Receptors,Enzymes,Transporters,"Bromodomain-containing proteins","Catalytic receptors","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Anti-infective targets","B-cell ly
mphoma 2 (Bcl-2) protein family","Peptidases and proteinases","3.2.1.- Glycosidases","Peptidyl-prolyl cis/trans isomerases",Transthyretin,"Lanosterol biosynthesis pathway","2.7.1.40 Pyruvate kinases",
"2.3.1.-  Acyltransferases","Eicosanoid turnover","G protein-coupled receptors","P-type ATPases","ATP-binding cassette transporter family","2.1.1.- Methyltransferases","Non-enzymatic BRD containing pr
oteins","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","2.3.1.48 Histone acetyltransferases (HATs)","Viral protein targets","MA: Metallo (M) Peptidases","AA: Aspartic (A) Peptidase
s","PA: Serine (S) Peptidases","Prostaglandin synthases","Cannabinoid receptors","PB: Threonine (T) Peptidases","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","1.14.11.- Histone demethylases","SC: Seri
ne (S) Peptidases","CAMK: Calcium/calmodulin-dependent protein kinases","ABCB subfamily","TK: Tyrosine kinase","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Coronavir
us (CoV) proteins","M10: Matrix metallopeptidase","A1: Pepsin","S1: Chymotrypsin","T1: Proteasome","Mitogen-activated protein kinases (MAP kinases)","S9: Prolyl oligopeptidase","MAPK-Activated Protein
 Kinase (MAPKAPK) family","Receptor tyrosine kinases (RTKs)","Dyrk1 subfamily","p38 subfamily","MAPKAPK subfamily","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Heat shock proteins","
Ion channels","Cytochrome P450","Voltage-gated ion channels","CYP3 family","Potassium channels",Lipoxygenases,"CA: Cysteine (C) Peptidases","Voltage-gated potassium channels","C19: Ubiquitin-specific 
protease","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","DNA Repair","Developmental Biology","Neuronal System","Cell Cycle","Immune System",Disease,"Extracellular matrix organization","Metabolism of proteins","
Signal Transduction",Hemostasis,"Metabolism of carbohydrates","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Nervous system development","Transmission across Chemical Synapses",Mi
totic,"Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Infectious disease","Degradation of the extracellular matrix","Base Excision Repair","D
iseases of metabolism","Amyloid fiber formation","Chromosome Maintenance","Signaling by GPCR","Metabolism of lipids","Metabolism of amino acids and derivatives","Platelet homeostasis","Signaling by Nu
clear Receptors","Peptide hormone metabolism","Abacavir transport and metabolism","Post-translational protein modification","Pentose phosphate pathway","Generic Transcription Pathway","Homology Direct
ed Repair","Axon guidance","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic G1 phase and G1/S transition","Toll-like Receptor Cascades","Signaling by NOTCH1 in Cancer","SARS-
CoV Infections","Nucleotide-binding domain","leucine rich repeat containing receptor (NLR) signaling pathways","Activation of Matrix Metalloproteinases","Resolution of Abasic Sites (AP sites)","Diseas
es of carbohydrate metabolism","Telomere Maintenance","GPCR downstream signalling","Signaling by FGFR in disease","Metabolism of steroids","Complement cascade","Nonhomologous End-Joining (NHEJ)","Gluc
ose metabolism","Fatty acid metabolism","Regulation of mitotic cell cycle","Sulfur amino acid metabolism","Platelet calcium homeostasis","ESR-mediated signaling","Incretin synthesis",secretion,"and in
activation","Abacavir transmembrane transport",SUMOylation,"Transcriptional Regulation by TP53","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Semaphorin interactions",
"Activation of NMDA receptors and postsynaptic events","G0 and Early G1","Toll Like Receptor 5 (TLR5) Cascade","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","SARS-CoV-2 Infection",Inflammasom
es,"Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Glycogen storage diseases","Extension of Telomeres","G alpha (i) signalling events","Signaling by FGFR1 in disease","
Regulation of cholesterol biosynthesis by SREBP (SREBF)","EPH-Ephrin signaling","Regulation of Complement cascade",Glycolysis,"Arachidonic acid metabolism","APC/C-mediated degradation of cell cycle pr
oteins","Degradation of cysteine and homocysteine","Reduction of cytosolic Ca++ levels","Extra-nuclear estrogen signaling",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","SUMO E3 liga
ses SUMOylate target proteins",Gluconeogenesis,"TP53 Regulates Transcription of Cell Death Genes","HDR through Single Strand Annealing (SSA)","Sema4D in semaphorin signaling","Post NMDA receptor activ
ation events","MyD88 cascade initiated on plasma membrane","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","SARS-CoV-2 Genome Replication and Transcription","The NLRP1 inflammasome","PCNA-De
pendent Long Patch Base Excision Repair","Glycogen storage disease type II (GAA)","Telomere Extension By Telomerase","Regulation of TP53 Activity","HDR through Homologous Recombination (HRR)","Visual 
phototransduction","FGFR1 mutant receptor activation","Activation of gene expression by SREBF (SREBP)","EPH-ephrin mediated repulsion of cells","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)"
,"Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Sulfide oxidation to sulfate","SUMOylation of DNA methylation proteins","TP53 Regulates Transcription of Genes Involved
 in Cytochrome C Release","Sema4D mediated inhibition of cell attachment and migration","Activation of AMPK downstream of NMDARs","TAK1 activates NFkB by phosphorylation and activation of IKKs complex
","Replication of the SARS-CoV-2 genome","Regulation of TP53 Activity through Acetylation","Homologous DNA Pairing and Strand Exchange","The canonical retinoid cycle in rods (twilight vision)","Signal
ing by cytosolic FGFR1 fusion mutants","APC/C:Cdc20 mediated degradation of mitotic proteins","MAP kinase activation","Regulation of TP53 Activity through Phosphorylation","PI5P Regulates TP53 Acetyla
tion","Presynaptic phase of homologous DNA pairing and strand exchange","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","MAPK targets/ Nuclear
 events mediated by MAP kinases","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Activation of the AP-1 family of transcription factors","Mitotic G2-G2/M phases","G2/M Transition","The role of
 GTSE1 in G2/M progression after G2 checkpoint","Muscle contraction","Cardiac conduction","Biological oxidations","Biosynthesis of specialized proresolving mediators (SPMs)","Branched-chain amino acid
 catabolism","Phase 3 - rapid repolarisation","Diseases of glycosylation","Phase I - Functionalization of compounds","Biosynthesis of DHA-derived SPMs","Diseases associated with glycosylation precurso
r biosynthesis","Ethanol oxidation","Biosynthesis of DPA-derived SPMs","Biosynthesis of maresins","Defective GALK1 can cause Galactosemia II (GALCT2)","Biosynthesis of DPAn-3 SPMs","Biosynthesis of D-
series resolvins","Biosynthesis of maresin-like SPMs","Biosynthesis of DPAn-3-derived protectins and resolvins","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation","ERK/MA
PK targets","ERKs are inactivated"}

> <broad_targets>
{ELANE,EP300,FASN,KAT2B,MMP14,MMP2}

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

> <synonyms>
{"(-)-Epigallocatechin gallate","()Epigallocatechin gallate",EGCG,"Epigallocatechin gallate",989-51-5,989515,"Epigallocatechin 3-gallate","Epigallocatechin 3gallate",Epigallocatechin-3-gallate,Epigall
ocatechin3gallate,"Tea catechin",(-)-Epigallocatechin-3-o-gallate,()Epigallocatechin3ogallate,Epigallocatechin-3-monogallate,Epigallocatechin3monogallate,Teavigo,"(-)-Epigallocatechol galla","()Epigal
locatechol galla",T3807,T2988,S2250,SAM001247031,210239,"(-)-Gallocatechin gallate","(-)-Epigallocatechin Gallate","epigallocatechin-3-monogallate
((-)-Epigallocatechin Gallate)",CPD000449288,EPIGALLOCATECHIN-3-MONOGALLATE}

> <pdid>
PD002148

> <targets>
{"DNA Methyltransferase",HER2,Telomerase,EGFR,"Fatty Acid Synthase",Autophagy,"Endogenous Metabolite",Ferroptosis,HIV,"Mitochondrial Metabolism","Reactive Oxygen Species"}

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

> <pubchem_cids>
{65064}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33810

> <plate>
Plate_1

> <well>
F20

> <supplier_cmpd_name>
TW-37

> <ctcr_id>
1673

> <supplier_cmpd_id>
TW-37

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 20 21  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 S   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 S   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8912    5.2570    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  6 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  5  1  0
 19 20  2  0
M  END
> <name>
Broad_2021

> <id>
33811

> <plate>
Plate_1

> <well>
G20

> <supplier_cmpd_name>
NSC 95397

> <ctcr_id>
8293

> <supplier_cmpd_id>
NSC 95397

> <smiles>
OCCSC1=C(SCCO)C(=O)c2ccccc2C1=O

> <pd_targets>
{ALD,LEF,BLM,NPSR1,CYP3A4,KMT2A,MEN1,HSD17B10,TSHR,MAPT,CYP2C19,CHRM1,ATG4B,L3MBTL1,APAF1,TP53,CYP2D6,CYP2C9,HKDC1,CDC25C,NFKB1,RORC,CDC25B,TGR,MAPK1,REP,GMNN,CDC25A,KDM4E,GAPDH,HIF1A,ALDH1A1,ALDOA,HP
GD,TDP2,THPO,THRB,GALK1,STAT6,FTL,RECQL,FFP,TLR9,CYP1A2,S100A4,AMPC,CASP1,PMP22,ALOX12,PLA2G1B,CASP9,LMNA,MAP2K7,MTOR}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Epigenetic regulator","Other cytosolic protein","Unclassified protein","Transcription factor","Other nuclear protein",Protease,"Family A G protein-coupled receptor","Cytoc
hrome P450",Reader,Oxidoreductase,Transferase,Phosphatase,"Nuclear receptor",Kinase,Eraser,Lyase,Phosphodiesterase,"Toll-like and Il-1 receptors",Hydrolase,"Metallo protease","Peptide receptor (family
 A GPCR)","Cytochrome P450 family 3",Bromodomain,"Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Methyl-lysine/arginine binding protein","Protein Phosphatase","Nuclear hormone re
ceptor subfamily 1","Protein Kinase","Lysine demethylase","Cysteine protease","Cytochrome P450 family 1","Metallo protease MAE clan","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A
","Glycohormone receptor","Cytochrome P450 family 2C","Monoamine receptor","MBT domain","Cytochrome P450 family 2D","Serine/threonine/tyrosine protein phosphatase","Nuclear hormone receptor subfamily 
1 group F","CMGC protein kinase group","Jumonji domain-containing","Cysteine protease CA clan","Nuclear hormone receptor subfamily 1 group A","Cytochrome P450 family 1A","Cysteine protease CD clan","S
TE protein kinase group","Atypical protein kinase group","Metallo protease M34 family","Neuropeptide receptor","Cytochrome P450 3A4","Cytochrome P450 2C19","Acetylcholine receptor","Cytochrome P450 2D
6","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group A member 2
","Cytochrome P450 1A1","Cysteine protease C14 family","STE protein kinase STE7 family","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","G protein-coupled receptors","Cytochrome P450","Peptidases and proteinases","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Anti-infective targets","Chr
omatin modifying enzymes","Eicosanoid turnover","Transcription factors","Catalytic receptors","Glycerophospholipid turnover","Neuropeptide S receptor","CYP3 family","Glycoprotein hormone receptors","C
YP2 family: drug metabolising subset","Acetylcholine receptors (muscarinic)","CA: Cysteine (C) Peptidases","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Viral pr
otein targets","1.14.11.- Histone demethylases","Prostaglandin synthases","1A. Thyroid hormone receptors","STAT transcription factors","Pattern recognition receptors","CYP1 family","CD: Cysteine (C) P
eptidases",Lipoxygenases,"Phospholipase A<sub>2</sub>","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",Atypical,"C54: Aut2 peptidase","Mitogen-activated protein kinases (MAP kinas
es)","Coronavirus (CoV) proteins","Toll-like receptor family","C14: Caspase","STE7 family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{Disease,"DNA Repair",Metabolism,"Neuronal System","Signal Transduction",Autophagy,"Gene expression (Transcription)","Programmed Cell Death","Cell Cycle","Immune System","Cellular responses to externa
l stimuli",Hemostasis,"Metabolism of proteins","Vesicle-mediated transport","Developmental Biology","Infectious disease","DNA Double-Strand Break Repair","Metabolism of lipids","Metabolism of amino ac
ids and derivatives","Transmission across Chemical Synapses","Biological oxidations","Signaling by GPCR",Macroautophagy,"RNA Polymerase II Transcription",Apoptosis,"Cell Cycle Checkpoints","Cytokine S
ignaling in Immune system",Mitotic,"Innate Immune System","Metabolism of carbohydrates","Cellular responses to stress","Platelet activation","signaling and aggregation","Post-translational protein mod
ification","Diseases of metabolism","Membrane Trafficking","Nervous system development","Uptake and actions of bacterial toxins","Homology Directed Repair","Leishmania infection","Biosynthesis of spec
ialized proresolving mediators (SPMs)","Branched-chain amino acid catabolism","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","GPCR ligand 
binding","Generic Transcription Pathway","Intrinsic Pathway for Apoptosis","G1/S DNA Damage Checkpoints","Signaling by Interleukins","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","SARS-CoV In
fections","Mitotic G1 phase and G1/S transition","Glucose metabolism","Cellular response to hypoxia","Response to elevated platelet cytosolic Ca2+","Nonhomologous End-Joining (NHEJ)","Platelet Aggrega
tion (Plug Formation)",SUMOylation,"Diseases of glycosylation","Cytosolic sensors of pathogen-associated DNA","trans-Golgi Network Vesicle Budding","EGR2 and SOX10-mediated initiation of Schwann cell 
myelination","Phospholipid metabolism","M Phase","Uptake and function of anthrax toxins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and s
urvival","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Transcriptiona
l Regulation by TP53","Apoptotic factor-mediated response","p53-Dependent G1/S DNA damage checkpoint","Interleukin-1 family signaling","Transcriptional regulation by RUNX3","G2/M Transition","Toll Lik
e Receptor 5 (TLR5) Cascade","SARS-CoV-2 Infection","G1/S Transition","p53-Independent G1/S DNA damage checkpoint",Gluconeogenesis,"Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor A
lpha","Ethanol oxidation","Platelet degranulation","SUMO E3 ligases SUMOylate target proteins","Diseases associated with glycosylation precursor biosynthesis","STING mediated induction of host immune 
responses","Golgi Associated Vesicle Biogenesis","Toll Like Receptor 7/8 (TLR7/8) Cascade","Biosynthesis of DPA-derived SPMs","Glycerophospholipid biosynthesis","Mitotic Metaphase and Anaphase","HDR t
hrough Homologous Recombination (HRR)","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresins","Post NMDA receptor activation events",Xenobiotics,"Amine ligand-
binding receptors","Regulation of TP53 Activity","Cytochrome c-mediated apoptotic response","p53-Dependent G1 DNA Damage Response","TP53 Regulates Transcription of Cell Cycle Genes","Interleukin-1 sig
naling","RUNX3 Regulates Immune Response and Cell Migration","Cyclin A/B1/B2 associated events during G2/M transition","MyD88 cascade initiated on plasma membrane","SARS-CoV-2 Genome Replication and T
ranscription","Activation of the pre-replicative complex","p53-Independent DNA Damage Response","Biosynthesis of D-series resolvins","SUMOylation of intracellular receptors","Defective GALK1 can cause
 Galactosemia II (GALCT2)","STAT6-mediated induction of chemokines","MyD88 dependent cascade initiated on endosome","TP53 Regulates Transcription of Cell Death Genes","Biosynthesis of DPAn-3 SPMs","Ac
yl chain remodelling of PC","Mitotic Anaphase","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Activation of
 AMPK downstream of NMDARs","CYP2E1 reactions","Muscarinic acetylcholine receptors","Regulation of TP53 Activity through Methylation","Formation of apoptosome","Stabilization of p53","TP53 regulates t
ranscription of additional cell cycle genes whose exact role in the p53 pathway remain uncertain","MAP3K8 (TPL2)-dependent MAPK1/3 activation","MAP kinase activation","Replication of the SARS-CoV-2 ge
nome","Ubiquitin Mediated Degradation of Phosphorylated Cdc25A","TRAF6 mediated induction of NFkB and MAP kinases upon TLR7/8 or 9 activation","Aromatic amines can be N-hydroxylated or N-dealkylated b
y CYP1A2","TP53 Regulates Transcription of Caspase Activators and Caspases","Biosynthesis of DPAn-3-derived maresins","Nuclear Envelope (NE) Reassembly","Regulation of TP53 Expression and Degradation"
,"Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of the apoptosome activity","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by M
AP kinases","Initiation of Nuclear Envelope (NE) Reformation","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Regulation of TP53 Degradation","ERK/MAPK targets"
,"ERKs are inactivated"}

> <broad_targets>
{CDC25A,CDC25B}

> <broad_moa>
{"CDC inhibitor"}

> <synonyms>
{"NSC 95397",93718-83-3,93718833,NSC-95397,NSC95397,"2,3-Bis(2-hydroxyethylthio)-1,4-naphthalenedione","2,3Bis(2hydroxyethylthio)1,4naphthalenedione","2,3-bis(2-hydroxyethylsulfanyl)naphthalene-1,4-di
one","2,3bis(2hydroxyethylsulfanyl)naphthalene1,4dione","2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione","2,3bis(2hydroxyethylthio)naphthalene1,4dione",MLS002153403,CHEMBL429095,SMR001230781,SR-01,S
R01,1547,N1786}

> <pdid>
PD002705

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{262093}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33812

> <plate>
Plate_1

> <well>
H20

> <supplier_cmpd_name>
Serdemetan

> <ctcr_id>
3815

> <supplier_cmpd_id>
Serdemetan

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 26 28  0  0  0  0            999 V2000
    7.6646   -3.8335    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 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
    0.6890   -4.0818    0.0000 C   0  0
    0.2235   -5.5086    0.0000 O   0  0
    1.2256   -6.6258    0.0000 C   0  0
    0.7624   -8.0525    0.0000 C   0  0
    1.7663   -9.1671    0.0000 C   0  0
    3.2334   -8.8550    0.0000 C   0  0
    3.6967   -7.4283    0.0000 C   0  0
    5.1639   -7.1162    0.0000 Cl  0  0
    2.6929   -6.3137    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -3.8813   -1.4408    0.0000 C   0  0
   -4.9619   -2.4740    0.0000 C   0  0
   -6.4014   -2.0524    0.0000 C   0  0
   -6.7561   -0.5949    0.0000 O   0  0
   -5.6713    0.4410    0.0000 C   0  0
   -4.2318    0.0194    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  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
  9 19  2  0
 19 20  1  0
 20  7  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
M  END
> <name>
Broad_2021

> <id>
33813

> <plate>
Plate_1

> <well>
I20

> <supplier_cmpd_name>
PF-4800567

> <ctcr_id>
8316

> <supplier_cmpd_id>
PF-4800567

> <smiles>
Cl.Nc1ncnc2c1c(COc3cccc(Cl)c3)nn2C4CCOCC4

> <pd_targets>
{CSNK1E,CSNK1D}

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

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

> <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>
{CSNK1D,CSNK1E}

> <broad_moa>
{"casein kinase inhibitor"}

> <synonyms>
{"PF-4800567 Hydrochloride","PF4800567 Hydrochloride",1391052-28-0,1391052280,"1391052 28 0","1391052-28-0 (HCl)","1391052280 (HCl)","1391052 28 0 (HCl)",SCHEMBL18921541,"PF-4800567 HCl","PF4800567 HC
l","PF 4800567 HCl",AKOS024,T5056,4281,PF-4800567,"PF 4800567 hydrochloride"}

> <pdid>
PD003265

> <targets>
{"Casein Kinase 1","Casein Kinase"}

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

> <pubchem_cids>
{71751553}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33814

> <plate>
Plate_1

> <well>
J20

> <supplier_cmpd_name>
AGK2

> <ctcr_id>
8345

> <supplier_cmpd_id>
AGK2

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 22 24  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Br  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 11  1  0
  9 18  2  0
 18  5  1  0
 18 19  1  0
 19 20  2  0
 20  3  1  0
 20 21  1  0
 21 22  1  0
M  END
> <name>
Broad_2021

> <id>
33815

> <plate>
Plate_1

> <well>
K20

> <supplier_cmpd_name>
PD153035

> <ctcr_id>
3007

> <supplier_cmpd_id>
PD153035

> <smiles>
COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC

> <pd_targets>
{ABL1,ABL2,MAPT,EGFR,MAPK1,KDM4E,ALOX15,LEF,BLM,HPGD,NFKB1,HSD17B10,PMP22,CYP3A4,GMNN,FBP1,PKMYT1,LMNA,RAF1,HIF1A,CYP2D6,CYP1A2,MAPK14,CHRM1,FFP,GLA,TP53,KMT2A,MEN1,ALDH1A1,MKNK1,SRC,LCK,KDR,EPHB2,TSH
R,ERBB2,CYP2C19,MAPK11,MAPK12,MAPK13,ALD,RORC,CDK1,ABL,ERBB4,CYP2C9,PDGFRB,ABCG2,GAK}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator","Unclassified protein","Other nuclear protein","Transcription factor","Membrane receptor",Kinase,Eraser,Oxidoreductase,Protease,"Cytochrome P45
0","Family A G protein-coupled receptor",Transferase,Hydrolase,Reader,"Protein Kinase","Lysine demethylase","Metallo protease","Cytochrome P450 family 3","Cytochrome P450 family 2","Cytochrome P450 fa
mily 1","Small molecule receptor (family A GPCR)",Bromodomain,"TK protein kinase group","CMGC protein kinase group","Jumonji domain-containing","Metallo protease MAE clan","Cytochrome P450 family 3A",
"Other protein kinase group","TKL protein kinase group","Cytochrome P450 family 2D","Cytochrome P450 family 1A","Monoamine receptor","CAMK protein kinase group","Tyrosine protein kinase Abl family","T
yrosine protein kinase EGFR family","CMGC protein kinase MAPK family","Metallo protease M34 family","Cytochrome P450 3A4","Other protein kinase WEE family","TKL protein kinase RAF family","Cytochrome 
P450 2D6","Cytochrome P450 1A1","Acetylcholine receptor","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase Src family","CMGC protein kinase ERK1","CMGC protein kinase p38 subfamily","CAMK 
protein kinase MNK subfamily",Transporter,"Nuclear receptor","Primary active transporter","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","ATP-binding cassette","Glycohormone
 receptor","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 group F","ABCG subfamily","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Eph family","Cytochrome P450 2C19
","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase CDK family","Cytochrome P450 2C9","Tyrosine protein kinase PDGFR family","Other protein kinase NAK family","CMGC protein 
kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Eicosanoid turnover","Cytochrome P450","G protein-coupled receptors","Receptor kinases","CMGC: Containing
 CDK",MAPK,GSK3,"CLK families","1.14.11.- Histone demethylases",Lipoxygenases,"Prostaglandin synthases","CYP3 family","CYP2 family: drug metabolising subset","CYP1 family","Acetylcholine receptors (mu
scarinic)","CAMK: Calcium/calmodulin-dependent protein kinases","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Other protein kinases","TKL: Tyrosine kinase-like","MAPK-Activa
ted Protein Kinase (MAPKAPK) family","Receptor tyrosine kinases (RTKs)","ERK subfamily","WEE family","RAF family","p38 subfamily","MKN subfamily","Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: 
ErbB (epidermal growth factor) receptor family","Src family",Transporters,"Nuclear hormone receptors","ATP-binding cassette transporter family","Glycoprotein hormone receptors","1F. Retinoic acid-rela
ted orphans","ABCG subfamily","Cyclin-dependent kinase (CDK) family","CDK1 subfamily","Numb-associated kinase (NAK) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","T
ype XIII RTKs: Ephrin receptor family","Abl family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Neuronal System","Signal Transduction","Immune System",Metabolism,Disease,"DNA Repair","Developmental Biology","Cell Cycle","Cellular responses to external stimuli","Transmission across Chemical Syn
apses","Signaling by GPCR","Innate Immune System","Metabolism of lipids","Infectious disease","DNA Double-Strand Break Repair","Cytokine Signaling in Immune system","Metabolism of amino acids and deri
vatives","Nervous system development",Mitotic,"Metabolism of carbohydrates","MAPK family signaling cascades","Cellular responses to stress","Biological oxidations","Cell Cycle Checkpoints","Signaling 
by Receptor Tyrosine Kinases","Neurotransmitter receptors and postsynaptic signal transmission","GPCR downstream signalling","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving med
iators (SPMs)","Uptake and actions of bacterial toxins","Homology Directed Repair","Signaling by Interleukins","Branched-chain amino acid catabolism","EGR2 and SOX10-mediated initiation of Schwann cel
l myelination","Mitotic G1 phase and G1/S transition","Glucose metabolism","Mitotic G2-G2/M phases","M Phase","MAPK1/MAPK3 signaling","Cellular response to hypoxia","Phase I - Functionalization of com
pounds","GPCR ligand binding","Sphingolipid metabolism","G1/S DNA Damage Checkpoints","Signaling by FGFR","Signaling by NTRKs","HIV Infection","Activation of NMDA receptors and postsynaptic events","G
 alpha (q) signalling events","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DPA-derived SPMs","Uptake and function of anthrax toxins","HDR through Homologous Recombination (HRR) or Single Str
and Annealing (SSA)","Biosynthesis of DHA-derived SPMs","Interleukin-1 family signaling","G1/S Transition",Gluconeogenesis,"G2/M Transition","Mitotic Metaphase and Anaphase","RAF/MAP kinase cascade","
Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Glycosphingolipid metabolism","p53-Depe
ndent G1/S DNA damage checkpoint","Ethanol oxidation","Signaling by FGFR4","Signaling by NTRK1 (TRKA)","Host Interactions of HIV factors","Post NMDA receptor activation events","Gastrin-CREB signallin
g pathway via PKC and MAPK","MyD88 cascade initiated on plasma membrane","Biosynthesis of DPAn-3 SPMs","HDR through Homologous Recombination (HRR)","Biosynthesis of D-series resolvins","Interleukin-1 
signaling","Biosynthesis of maresins","Activation of the pre-replicative complex","Cyclin A/B1/B2 associated events during G2/M transition","Mitotic Anaphase","Negative regulation of MAPK pathway",Xen
obiotics,"Amine ligand-binding receptors","p53-Dependent G1 DNA Damage Response","Negative regulation of FGFR4 signaling","Signalling to ERKs","The role of Nef in HIV-1 replication and disease pathoge
nesis","Activation of AMPK downstream of NMDARs","EGFR Transactivation by Gastrin","MAP kinase activation","Biosynthesis of DPAn-3-derived protectins and resolvins","Homologous DNA Pairing and Strand 
Exchange","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Negative feedback regulation of MAPK pathway","CYP2E1 reactions","Aromati
c amines can be N-hydroxylated or N-dealkylated by CYP1A2","Muscarinic acetylcholine receptors","Stabilization of p53","Spry regulation of FGF signaling","Signalling to RAS","Nef-mediates down modulat
ion of cell surface receptors by recruiting them to clathrin adapters","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","Initiat
ion of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","p38MAPK events","Nef Mediated CD4 Down-regulation","ERK/MAPK targets","Activation of the AP-1 family of tra
nscription factors","ERKs are inactivated","Gene expression (Transcription)","Vesicle-mediated transport","RNA Polymerase II Transcription","Intracellular signaling by second messengers","Abacavir tra
nsport and metabolism","Membrane Trafficking","Signaling by VEGF","Axon guidance","Leishmania infection","Generic Transcription Pathway","Regulation of mitotic cell cycle","PIP3 activates AKT signalin
g","Abacavir transmembrane transport","trans-Golgi Network Vesicle Budding","VEGFA-VEGFR2 Pathway","EPH-Ephrin signaling","Leishmania parasite growth and survival","Semaphorin interactions","Transcrip
tional regulation by RUNX3","APC/C-mediated degradation of cell cycle proteins","Parasite infection","Negative regulation of the PI3K/AKT network","Golgi Associated Vesicle Biogenesis","VEGFR2 mediate
d cell proliferation","EPHB-mediated forward signaling","Anti-inflammatory response favouring Leishmania parasite infection","Sema4D in semaphorin signaling","RUNX3 Regulates Immune Response and Cell 
Migration","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Leishmania phagocytosis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","ADORA2B mediated anti-inflammatory
 cytokines production","Sema4D induced cell migration and growth-cone collapse","APC/C:Cdc20 mediated degradation of mitotic proteins","Long-term potentiation","FCGR3A-mediated phagocytosis","APC:Cdc2
0 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{EGFR,MAPK14}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{153436-54-5,153436545,"N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine","N(3bromophenyl)6,7dimethoxyquinazolin4amine",PD153035,PD-153035,"pd 153035",UNII-TC62B68RSL,UNIITC62B68RSL,"4-(3-BROMOANILIN
O)-6,7-DIMETHOXYQUINAZOLINE","4(3BROMOANILINO)6,7DIMETHOXYQUINAZOLINE",AG-1517,AG1517,"SU 5271","4-(3-bromophenylamino)-6,7-dimethoxyquinazoline","4(3bromophenylamino)6,7dimethoxyquinazoline","AG 1517
",NSC-6693,NSC6693,T2041,T2047,T1761,T2034,SY-AG1517,AG-1478,"PD153035 hydrochloride",AG-1557,"AG1517 (PD153035)","PD 153035"}

> <pdid>
PD002607

> <targets>
{EGFR,PTK}

> <classes>
{}

> <pubchem_cids>
{4705}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33816

> <plate>
Plate_1

> <well>
L20

> <supplier_cmpd_name>
BAI1

> <ctcr_id>
8353

> <supplier_cmpd_id>
BAI1

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 41 44  0  0  1  0            999 V2000
    2.6640   -0.1280    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
   -2.5950   -3.0008    0.0000 C   0  0
   -1.2942   -3.7494    0.0000 C   0  0
   -1.2911   -5.2502    0.0000 C   0  0
    0.0098   -5.9988    0.0000 C   0  0
    0.0129   -7.4996    0.0000 C   0  0
    1.3137   -8.2482    0.0000 C   0  0
    1.3168   -9.7490    0.0000 C   0  0
    2.6176  -10.4975    0.0000 C   0  0
    2.6207  -11.9984    0.0000 C   0  0
    3.9215  -12.7469    0.0000 S   0  0
    5.2192  -11.9946    0.0000 O   0  0
    3.9246  -14.2477    0.0000 C   0  0
    5.2254  -14.9963    0.0000 C   0  0
    5.2285  -16.4971    0.0000 C   0  0
    6.5293  -17.2457    0.0000 C   0  0
    6.5270  -15.7457    0.0000 F   0  0
    7.8271  -16.4934    0.0000 F   0  0
    6.5324  -18.7465    0.0000 C   0  0
    7.8325  -19.4946    0.0000 F   0  0
    6.5348  -20.2465    0.0000 F   0  0
    5.2347  -19.4988    0.0000 F   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 O   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.3326   -2.9571    0.0000 C   0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0  2  0  0  0
    3.8900   -1.4008    0.0000 O   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  5  4  1  1
  6  5  1  6
  6  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
  7 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  1  0
 32 34  2  0
 34 35  1  0
 35 36  2  0
 36  5  1  0
 36 30  1  0
  6 37  1  0
 37  2  1  0
 37 38  1  1
 38 39  1  0
 39 40  1  0
 40  2  1  0
 40 41  1  1
M  END
> <name>
Broad_2021

> <id>
33817

> <plate>
Plate_1

> <well>
M20

> <supplier_cmpd_name>
Fulvestrant

> <ctcr_id>
4559

> <supplier_cmpd_id>
Fulvestrant

> <smiles>
C[C@]12CC[C@H]3[C@@H]([C@H](CCCCCCCCC[S](=O)CCCC(F)(F)C(F)(F)F)Cc4cc(O)ccc34)[C@@H]1CC[C@@H]2O

> <pd_targets>
{GPER1,ESR1,ESR2,NR1H4,EPHX2,BLA,PGR,NR1I2,ESRRA}

> <pathway_gtopdb>
{"Membrane receptor","Transcription factor",Enzyme,"Family A G protein-coupled receptor","Nuclear receptor",Protease,Hydrolase,"Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfa
mily 3","Nuclear hormone receptor subfamily 1","Serine protease","Lipid-like ligand receptor (family A GPCR)","Nuclear hormone receptor subfamily 3 group A","Nuclear hormone receptor subfamily 1 group
 H","Serine protease SC clan","Nuclear hormone receptor subfamily 3 group C","Nuclear hormone receptor subfamily 1 group I","Nuclear hormone receptor subfamily 3 group B","Steroid-like ligand receptor
","Nuclear hormone receptor subfamily 3 group A member 1","Nuclear hormone receptor subfamily 3 group A member 2","Nuclear hormone receptor subfamily 1 group H member 4","Serine protease S33 family","
Nuclear hormone receptor subfamily 3 group C member 3","Nuclear hormone receptor subfamily 1 group I member 2","Nuclear hormone receptor subfamily 3 group B member 1"}

> <pathway_chembl>
{Receptors,Enzymes,"G protein-coupled receptors","Nuclear hormone receptors",Hydrolases,"G protein-coupled estrogen receptor","Steroid hormone receptors","1H. Liver X receptor-like receptors","1I. Vit
amin D receptor-like receptors","3B. Estrogen-related receptors","3A. Estrogen receptors","3C. 3-Ketosteroid receptors"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Metabolism,"Metabolism of proteins","Signaling by GPCR","RNA Polymerase II Transcription","Intracellular signaling by second messengers","Metab
olism of lipids","Post-translational protein modification","GPCR ligand binding","Generic Transcription Pathway","PIP3 activates AKT signaling","Metabolism of steroids","Biosynthesis of specialized pr
oresolving mediators (SPMs)",SUMOylation,"Class A/1 (Rhodopsin-like receptors)","Transcriptional regulation by RUNX1","Negative regulation of the PI3K/AKT network","Bile acid and bile salt metabolism"
,"Biosynthesis of DHA-derived SPMs","SUMO E3 ligases SUMOylate target proteins","Transcriptional regulation by RUNX2","Peptide ligand-binding receptors","RUNX1 regulates estrogen receptor mediated tra
nscription",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Synthesis of bile acids and bile salts","Biosynthesis of maresins","SUMOylation of intracellular receptors","Regulation of RUNX2 expressio
n and activity","Synthesis of bile acids and bile salts via 27-hydroxycholesterol"}

> <broad_targets>
{ESR1,ESR2,GPER1}

> <broad_moa>
{"estrogen receptor antagonist"}

> <synonyms>
{RESTW142,Fulvestrant,129453-61-8,129453618,Faslodex,"Ici 182780",ICI-182780,ICI182780,"ICI 182,780","ZM 182780",ZM-182780,ZM182780,ZD-9238,ZD9238,"ZD 182780","Fulvestrant (Faslodex)","ZD 9238",CHEMBL
1358,C32H47F5O3S,CHEBI:31638,DSSTox_CID_2369,DSSToxCID2369,DSSTox-CID-2369,"DSSTox CID 2369",DSSTox_RID_76561,DSSToxRID76561,DSSTox-RID-76561,"DSSTox RID 76561",DSSTox_GSID_22369,DSSToxGSID22369,DSSTo
x-GSID-22369,"DSSTox GSID 22369",F,T2146,719276,S1191,nan,Prestw-1424,"NSC 719276",fulvestrant}

> <pdid>
PD002815

> <targets>
{"","Estrogen/progestogen Receptor"}

> <classes>
{"Endocrinology & Hormones","Estrogen Receptor Antagonists"}

> <pubchem_cids>
{104741}

$$$$
Broad_2021
  SciTegic11012413022D

 28 27  0  0  1  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 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
    7.7999   -1.5000    0.0000 O   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  1  0  0  0
   20.7998   -1.5000    0.0000 O   0  0
   22.0998    0.7500    0.0000 C   0  0  2  0  0  0
   22.0998    2.2500    0.0000 O   0  0
   23.3998    0.0000    0.0000 C   0  0  1  0  0  0
   24.6987   -0.7502    0.0000 N   0  0
   23.3998   -1.5007    0.0000 C   0  0
   22.1013   -2.2516    0.0000 O   0  0
   24.6998    0.7500    0.0000 C   0  0
   24.6998    2.2500    0.0000 O   0  0
   25.9991    0.0004    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  6
 18 20  1  0
 20 21  1  6
 20 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  0
 22 26  1  0
 26 27  1  0
 26 28  2  0
M  END
> <name>
Broad_2021

> <id>
33818

> <plate>
Plate_1

> <well>
N20

> <supplier_cmpd_name>
Myriocin

> <ctcr_id>
8272

> <supplier_cmpd_id>
Myriocin

> <smiles>
CCCCCCC(=O)CCCCCC/C=C/C[C@@H](O)[C@H](O)[C@@](N)(CO)C(O)=O

> <pd_targets>
{ALD,SPTLC1,SPTLC2,SPTLC3}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Ceramide turnover","Serine palmitoyltransferase"}

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

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Myriocin,thermozymocidin,35891-70-4,35891704,ISP-I,ISPI,ISP-1,ISP1,UNII-YRM4E8R9ST,UNIIYRM4E8R9ST,"Myriocin from Mycelia sterilia",CHEBI:582124,YRM4E8R9ST,NCGC00163597-02,NCGC0016359702,NCGC00163597-
03,NCGC0016359703,DSSTox_CID_26360,DSSToxCID26360,DSSTox-CID-26360,"DSSTox CID 26360",DSSTox_RID_81561,DSSToxRID81561,DSSTox-RID-81561,"DSSTox RID 81561",DSSTox_GSID_46360,DSSToxGSID46360,DSSTox-GSID-
46360,"DSSTox GSID 46360",CAS-35891-70-4,CAS35891704,SR-05000002333,SR05000002333,63150,myriocin}

> <pdid>
PD003594

> <targets>
{Antibiotic,HCV}

> <classes>
{Anti-infection}

> <pubchem_cids>
{6438394}

$$$$
Broad_2021
  SciTegic11012413022D

 21 22  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 N   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -3.9051   -5.2503    0.0000 Cl  0  0
   -1.3102   -9.7511    0.0000 N   0  3
   -0.0124  -10.5034    0.0000 O   0  5
   -2.6103  -10.4993    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 15 19  1  0
 19 20  1  0
 19 21  2  0
M  CHG  2  19   1  20  -1
M  END
> <name>
Broad_2021

> <id>
33819

> <plate>
Plate_1

> <well>
O20

> <supplier_cmpd_name>
Niclosamide

> <ctcr_id>
164

> <supplier_cmpd_id>
Niclosamide

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

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

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

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

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

> <broad_targets>
{STAT3}

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

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

> <pdid>
PD001014

> <targets>
{Antibiotic,Parasite,STAT}

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

> <pubchem_cids>
{4477}

$$$$
Broad_2021
  SciTegic11012413022D

 36 40  0  0  0  0            999 V2000
    2.5840   -8.2829    0.0000 C   0  0
    2.8570   -6.8080    0.0000 N   0  0
    4.2107   -6.1619    0.0000 C   0  0
    4.0146   -4.6747    0.0000 N   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.8242   -5.7201    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0039    0.0000 C   0  0
    1.2934    3.7495    0.0000 C   0  0
    1.2883    5.2495    0.0000 C   0  0
    2.5847    6.0040    0.0000 C   0  0
    2.5826    7.5048    0.0000 N   0  0
    3.8808    8.2579    0.0000 C   0  0
    5.1811    7.5101    0.0000 S   0  0
    3.8787    9.7587    0.0000 N   0  0
    5.1769   10.5118    0.0000 C   0  0
    6.4772    9.7640    0.0000 O   0  0
    5.1748   12.0126    0.0000 C   0  0
    6.4730   12.7657    0.0000 C   0  0
    6.4731   14.2657    0.0000 C   0  0
    7.7722   15.0157    0.0000 C   0  0
    9.0712   14.2657    0.0000 C   0  0
    9.0712   12.7657    0.0000 C   0  0
    7.7722   12.0157    0.0000 C   0  0
    3.8863    5.2585    0.0000 C   0  0
    3.8915    3.7585    0.0000 C   0  0
    5.1932    3.0131    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 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 15 29  1  0
 29 30  2  0
 30 12  1  0
 30 31  1  0
 10 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35  9  1  0
 35 36  1  0
 36  7  2  0
M  END
> <name>
Broad_2021

> <id>
33820

> <plate>
Plate_1

> <well>
P20

> <supplier_cmpd_name>
MGCD-265 analog

> <ctcr_id>
5101

> <supplier_cmpd_id>
MGCD-265 analog

> <smiles>
Cn1cnc(c1)c2sc3c(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)ccnc3c2

> <pd_targets>
{MET,KDR,SMO,AURKA}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Kinase,"Frizzled family G protein-coupled receptor","Protein Kinase","Smoothened receptor (frizzled family GPCR)","TK protein kinase group","Other protein kinase group","Ty
rosine protein kinase Met family","Tyrosine protein kinase VEGFR family","Other protein kinase AUR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","G protein-coupled receptors","Receptor kinases","Class Frizzled GPCRs","TK: Tyrosine kinase","Other protein kinases","Receptor tyrosine kinases (RTKs)","Aurora kinase
 (Aur) family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction","Organelle biogenesis and maintenance","Gene expression (Transcription)","Nervous system development","Signaling by Receptor Tyrosine Kinases","Cilium As
sembly","RNA Polymerase II Transcription","Axon guidance","Signaling by VEGF","Cargo trafficking to the periciliary membrane","Generic Transcription Pathway","Semaphorin interactions","VEGFA-VEGFR2 Pa
thway","BBSome-mediated cargo-targeting to cilium","Transcriptional Regulation by TP53","Sema4D in semaphorin signaling","VEGFR2 mediated cell proliferation","Regulation of TP53 Activity","Sema4D medi
ated inhibition of cell attachment and migration","Regulation of TP53 Activity through Phosphorylation"}

> <broad_targets>
{AXL,MET}

> <broad_moa>
{"VEGFR inhibitor"}

> <synonyms>
{GCD26,MGCD-265,MGCD265,875337-44-3,875337443,"MGCD-265 analog","MGCD265 analog",mgcd-265-analog,mgcd265analog,"MGCD 265",UNII-93M6577H9D,UNII93M6577H9D,CHEMBL254760,93M6577H9D,"compound 10a (PMID: 18
434145)",cc-38,cc38,MLS006010962,GTPL9133,SCHEMBL3576588,C26H20FN5O2S2,MGCD-265/MGCD265,MGCD265/MGCD265,BDBM24498,CHEBI:91393,DTXS,T6351,S1361,Glesatinib}

> <pdid>
PD003416

> <targets>
{"c-Met | VEGFR-PDGFR",c-Met,VEGFR,Tie-2}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{24901704}

$$$$
Broad_2021
  SciTegic11012413022D

 29 33  0  0  0  0            999 V2000
    7.7858   -9.1806    0.0000 N   0  0
    6.3110   -8.9071    0.0000 C   0  0
    5.3370  -10.0479    0.0000 O   0  0
    5.8106   -7.4921    0.0000 C   0  0
    6.7829   -6.3499    0.0000 C   0  0
    6.2798   -4.9368    0.0000 C   0  0
    4.8092   -4.6676    0.0000 C   0  0
    3.8322   -5.8080    0.0000 C   0  0
    4.3352   -7.2212    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.7171    0.9385    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 12 19  2  0
 19 20  1  0
 20 10  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 24  1  0
 28 29  2  0
 29 21  1  0
M  END
> <name>
Broad_2021

> <id>
33821

> <plate>
Plate_1

> <well>
A21

> <supplier_cmpd_name>
SB 431542

> <ctcr_id>
284

> <supplier_cmpd_id>
SB 431542

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

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

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

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

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

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD003368

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

> <classes>
{}

> <pubchem_cids>
{4521392}

$$$$
Broad_2021
  SciTegic11012413022D

 29 31  0  0  1  0            999 V2000
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0  2  0  0  0
    5.2029   -2.9932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0  2  0  0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0  2  0  0  0
    1.2982   -3.7531    0.0000 C   0  0
    1.2961   -5.2539    0.0000 C   0  0
    2.5943   -6.0070    0.0000 C   0  0  2  0  0  0
    2.5944   -7.5070    0.0000 C   0  0
    3.8934   -8.2570    0.0000 C   0  0  1  0  0  0
    3.8934   -9.7570    0.0000 O   0  0
    5.1924   -7.5071    0.0000 C   0  0
    5.1925   -6.0071    0.0000 C   0  0
    6.4915   -5.2571    0.0000 O   0  0
    3.8935   -5.2570    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  1  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  2  0
  5  7  1  0
  8  7  1  6
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  1
 19 20  1  0
 21 20  1  1
 21 22  1  0
 22 23  1  0
 23 24  1  6
 23 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 21  1  0
 18 29  1  0
 29  8  1  0
 29 13  1  6
M  END
> <name>
Broad_2021

> <id>
33822

> <plate>
Plate_1

> <well>
B21

> <supplier_cmpd_name>
Lovastatin

> <ctcr_id>
3349

> <supplier_cmpd_id>
Lovastatin

> <smiles>
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12

> <pd_targets>
{ALOX15,HMGCR,HDAC6,FTL,HDAC1,RORC,ITGAL,NR1I2,ACAT,TGR,LMNA,TSHR,MAPT,AR,HDAC2,ABCB1,ICAM1,HIF1A,FFP,CYP3A4,BCHE,ITGB2,SMN1,ALD,ACHE,KDM4E,ABCB11,SLC6A2,TACR2,ADORA1,SLC6A3,SLCO1B1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein","Transcription factor",Adhesion,"Other nuclear protein","Membrane receptor","Other cytosolic protein",Transporter,Oxidoreductase,Eraser,"Nuclear r
eceptor","Family A G protein-coupled receptor",Protease,"Primary active transporter",Transferase,"Cytochrome P450",Hydrolase,Reader,"Electrochemical transporter","Histone deacetylase","Nuclear hormone
 receptor subfamily 1","Peptide receptor (family A GPCR)","Cysteine protease","Nuclear hormone receptor subfamily 3","ATP-binding cassette","Cytochrome P450 family 3","Methyl-lysine/arginine binding p
rotein","Lysine demethylase","SLC superfamily of solute carriers","Small molecule receptor (family A GPCR)","HDAC class IIb","HDAC class I","Nuclear hormone receptor subfamily 1 group F","Nuclear horm
one receptor subfamily 1 group I","Glycohormone receptor","Cysteine protease CA clan","Nuclear hormone receptor subfamily 3 group C","ABCB subfamily","Cytochrome P450 family 3A","Tudor domain","Jumonj
i domain-containing","SLC06 neurotransmitter transporter family","Short peptide receptor (family A GPCR)","Nucleotide-like receptor (family A GPCR)","SLC21/SLCO family of organic anion transporting po
lypeptides","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 1 group I member 2","Cysteine protease C1A family","Nuclear hormone receptor subfamily 3 group C
 member 4","Cytochrome P450 3A4","Neurokinin receptor","Adenosine receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Eicosanoid turnover","Lanosterol biosynthesis pathway","Chromatin modifying enzymes","Nuclear hormone receptors","Catalytic receptors","G protein-coupled receptors","A
TP-binding cassette transporter family","Cytochrome P450","Acetylcholine turnover","SLC superfamily of solute carriers",Lipoxygenases,"3.5.1.- Histone deacetylases (HDACs)","1F. Retinoic acid-related 
orphans",Integrins,"1I. Vitamin D receptor-like receptors","Glycoprotein hormone receptors","Steroid hormone receptors","ABCB subfamily","CYP3 family","1.14.11.- Histone demethylases","SLC6 neurotrans
mitter transporter family","Tachykinin receptors","Adenosine receptors","SLCO family of organic anion transporting polypeptides","3C. 3-Ketosteroid receptors","Monoamine transporter subfamily"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Vesicle-mediated transport",Disease,"Metabolism of proteins","Cell Cycle","Neuronal System","Immune System","Cellular responses to external stimuli","Met
abolism of RNA","Signal Transduction","Metabolism of lipids","RNA Polymerase II Transcription","Membrane Trafficking","Disorders of Developmental Biology","Post-translational protein modification",Mit
otic,"Infectious disease","Transmission across Chemical Synapses","Abacavir transport and metabolism","Cytokine Signaling in Immune system","Cellular responses to stress","Metabolism of non-coding RNA
","Disorders of transmembrane transporters","Signaling by GPCR","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","Generic Transcription Pathway","trans-Golgi Networ
k Vesicle Budding","Disorders of Nervous System Development",SUMOylation,"M Phase","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Abacavir transmembrane tran
sport","Interferon Signaling","Cellular response to hypoxia","Phospholipid metabolism","snRNP Assembly","SLC transporter disorders","GPCR ligand binding","Biosynthesis of DPA-derived SPMs","Regulation
 of cholesterol biosynthesis by SREBP (SREBF)","Transcriptional regulation by RUNX2","Golgi Associated Vesicle Biogenesis","Pervasive developmental disorders","Transcriptional regulation by RUNX3","SU
MO E3 ligases SUMOylate target proteins","Mitotic Metaphase and Anaphase","Leishmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation b
y TP53","Interferon gamma signaling","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Glycerophospholipid biosynthesis","Bile acid and bil
e salt metabolism","Defective SLC6A2 causes orthostatic intolerance (OI)","Class A/1 (Rhodopsin-like receptors)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Biosynthesis of DPAn
-3 SPMs","Activation of gene expression by SREBF (SREBP)","RUNX2 regulates bone development","Loss of function of MECP2 in Rett syndrome","RUNX3 Regulates Immune Response and Cell Migration","SUMOylat
ion of intracellular receptors","Mitotic Anaphase","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","Regulation of TP53 Activity","Biosynthes
is of maresins","Synthesis of PC","Synthesis of bile acids and bile salts","Peptide ligand-binding receptors","Nucleotide-like (purinergic) receptors","Recycling of bile acids and salts","Biosynthesis
 of DPAn-3-derived protectins and resolvins","RUNX2 regulates osteoblast differentiation","Loss of MECP2 binding ability to 5mC-DNA","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammat
ory cytokines production","Activation of AMPK downstream of NMDARs","Regulation of TP53 Activity through Acetylation","Biosynthesis of maresin-like SPMs","Synthesis of bile acids and bile salts via 7a
lpha-hydroxycholesterol","Tachykinin receptors bind tachykinins","Adenosine P1 receptors","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{HDAC2,HMGCR,ITGAL,NR1I2}

> <broad_moa>
{"HMGCR inhibitor"}

> <synonyms>
{DSSTox_RID_75788,DSSToxRID75788,DSSTox-RID-75788,"DSSTox RID 75788",lovastatin,DSSTox_GSID_20784,DSSToxGSID20784,DSSTox-GSID-20784,"DSSTox GSID 20784",Liposcler,"6 alpha-Methylcompactin","6 alphaMeth
ylcompactin",Rextat,"Monakolin K","Mevacor (TN)",CHEMBL503,"Lovastatin & Primycin","Lovastatin (USP/INN)",SR-05000001880,SR05000001880,"BRN 3631989","Mevinolin from Aspergillus sp.",CCRIS,T1207,100103
38,SAM002589963,1503977,Prestw-516,Lovastatin,CPD000673570,LOVASTATIN}

> <pdid>
PD003114

> <targets>
{Autophagy,Ferroptosis,HMG-CoA Reductase (HMGCR)}

> <classes>
{antihyperlipidemic,HMGCoA reductase inhibitor,Apoptosis,Autophagy,Metabolic Enzyme/Protease}

> <pubchem_cids>
{53232}

$$$$
Broad_2021
  SciTegic11012413022D

 34 37  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 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
   -9.0897    3.7657    0.0000 N   0  0
  -10.3910    3.0180    0.0000 C   0  0
  -10.3936    1.5180    0.0000 O   0  0
  -11.6897    3.7702    0.0000 N   0  0
  -12.9910    3.0224    0.0000 C   0  0
  -12.9910    1.5223    0.0000 C   0  0
  -14.2901    0.7723    0.0000 C   0  0
  -15.5891    1.5223    0.0000 C   0  0
  -16.8882    0.7723    0.0000 F   0  0
  -15.5891    3.0223    0.0000 C   0  0
  -14.2901    3.7723    0.0000 C   0  0
  -14.2901    5.2723    0.0000 F   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    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  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
 25 26  1  0
 14 27  1  0
 27 28  1  0
 27 29  2  0
 29 11  1  0
  9 30  2  0
 30  5  1  0
 30 31  1  0
 31 32  2  0
 32  3  1  0
 32 33  1  0
 33 34  1  0
M  END
> <name>
Broad_2021

> <id>
33823

> <plate>
Plate_1

> <well>
C21

> <supplier_cmpd_name>
Ki 8751

> <ctcr_id>
4784

> <supplier_cmpd_id>
Ki 8751

> <smiles>
COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC

> <pd_targets>
{KDR,FGFR2,KIT,PDGFRA,RORC}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Kinase,"Nuclear receptor","Protein Kinase","Nuclear hormone receptor subfamily 1","TK protein kinase group","Nuclear hormone receptor subfamily 1 group F","Tyrosine prot
ein kinase VEGFR family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase PDGFR family","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Nuclear hormone receptors","Receptor kinases","1F. Retinoic acid-related orphans","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type IV RTKs: VEGF (vascul
ar endothelial growth factor) receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polyme
rase II Transcription","Signaling by VEGF","Signaling by FGFR in disease","Signaling by KIT in disease","Signaling by PDGFR in disease","Generic Transcription Pathway","VEGFA-VEGFR2 Pathway","Signalin
g by FGFR2 in disease","Drug resistance of KIT mutants","Drug resistance of PDGFR mutants","Transcriptional regulation by RUNX3","VEGFR2 mediated cell proliferation","FGFR2 mutant receptor activation"
,"Dasatinib-resistant KIT mutants","Imatinib-resistant PDGFR mutants","RUNX3 Regulates Immune Response and Cell Migration","Activated point mutants of FGFR2"}

> <broad_targets>
{KDR}

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

> <synonyms>
{Ki8751,228559-41-9,228559419,"Ki 8751",Ki-8751,CHEMBL178455,C24H18F3N3O4,cc-604,cc604,MLS006011284,SCHEMBL1249562,CHEBI:92822,TERT-BUTYL2-BROMOBUTYRATE,TERTBUTYL2BROMOBUTYRATE,AOB6619,DTXSID60462145,
EX-A227,EXA227,HMS3269O17,HMS3413F19,HMS3654B19,HMS3677F19,BCP02842,ZINC1490414,ABP001020,BDB,T2446,S1363,2542,KI8751}

> <pdid>
PD003649

> <targets>
{"c-Kit | VEGFR-PDGFR",PDGFR,VEGFR,c-Kit}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{11317348}

$$$$
Broad_2021
  SciTegic11012413022D

 31 32  0  0  1  0            999 V2000
   13.3177   -4.0542    0.0000 Na  0  3
    4.8817   -2.5602    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.3452   -0.0184    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1743   -3.8808    0.0000 C   0  0
   -3.0913   -5.0679    0.0000 C   0  0
   -2.5218   -6.4556    0.0000 C   0  0
   -3.4388   -7.6426    0.0000 F   0  0
   -1.0353   -6.6562    0.0000 C   0  0
   -0.1183   -5.4691    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5551   -4.4192    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0  1  0  0  0
    4.0613   -7.0156    0.0000 O   0  0
    6.3098   -5.7131    0.0000 C   0  0
    7.0629   -7.0113    0.0000 C   0  0  1  0  0  0
    6.3152   -8.3117    0.0000 O   0  0
    8.5637   -7.0091    0.0000 C   0  0
    9.3168   -8.3073    0.0000 C   0  0
    8.5691   -9.6077    0.0000 O   0  5
   10.8168   -8.3052    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
 12 20  2  0
 20  5  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  6
 23 25  1  0
 25 26  1  0
 26 27  1  6
 26 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
M  CHG  2   1   1  30  -1
M  END
> <name>
Broad_2021

> <id>
33824

> <plate>
Plate_1

> <well>
D21

> <supplier_cmpd_name>
Fluvastatin (sodium)

> <ctcr_id>
7419

> <supplier_cmpd_id>
Fluvastatin (sodium)

> <smiles>
[Na+].CC(C)n1c2ccccc2c(c3ccc(F)cc3)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"FLUVASTATIN SODIUM",Lescol,Vastin,93957-55-2,93957552,"Fluvastatin sodium salt","Fluvastatin (sodium)","(3r,5s)-fluvastatin sodium","(3r,5s)fluvastatin sodium",fluvastatin,Canef,"Sri 62320",Sri-6232
0,Sri62320,94061-80-0,94061800,"Fluvastatin sodium (Lescol)",Fractal,Locol,"Lescol XL",C24H25FNNaO4,DSST,T1487,S1909,"Fluvastatin Sodium"}

> <pdid>

> <targets>
{"HMG-CoA Reductase"}

> <classes>
{}

> <pubchem_cids>
{23663976}

$$$$
Broad_2021
  SciTegic11012413022D

 22 25  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -5.1072    0.0000    0.0000 C   0  0
   -5.8661    1.2801    0.0000 C   0  0
   -7.3245    0.9294    0.0000 N   0  0
   -7.4413   -0.5653    0.0000 C   0  0
   -6.0552   -1.1388    0.0000 C   0  0
   -5.8589   -2.6258    0.0000 C   0  0
   -7.0485   -3.5395    0.0000 C   0  0
   -8.4346   -2.9660    0.0000 C   0  0
   -8.6310   -1.4789    0.0000 C   0  0
   -9.6243   -3.8796    0.0000 Br  0  0
   -5.2822    2.6618    0.0000 O   0  0
   -3.1904   -2.6376    0.0000 N   0  0
   -4.6580   -2.9476    0.0000 O   0  0
  1  2  2  3
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  1  1  0
  5  7  1  0
  7  8  2  3
  8  9  1  0
  9  4  1  0
  8 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 10  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 13  1  0
 17 19  1  0
 11 20  1  0
  7 21  1  0
 21 22  2  0
M  END
> <name>
Broad_2021

> <id>
33825

> <plate>
Plate_1

> <well>
E21

> <supplier_cmpd_name>
BIO

> <ctcr_id>
7398

> <supplier_cmpd_id>
BIO

> <smiles>
C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=CC(=C4)Br)O)N=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CHEMBL243555,667463-62-9,667463629,"667463 62 9",BIO,6-BROMOINDIRUBIN-3'-OXIME,6BROMOINDIRUBIN3'OXIME,"6 BROMOINDIRUBIN 3' OXIME","GSK-3 Inhibitor IX","GSK3 Inhibitor IX","GSK 3 Inhibitor IX",6BIO,6-
bromoindirubin-3-oxime,6bromoindirubin3oxime,"6 brom",3194,S7198}

> <pdid>

> <targets>
{GSK-3,Apoptosis,CDK}

> <classes>
{Apoptosis,Cell Cycle/DNA Damage,PI3K/Akt/mTOR,Stem Cell/Wnt}

> <pubchem_cids>
{448949}

$$$$
Broad_2021
  SciTegic11012413022D

 62 66  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -2.5998    3.0004    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   11.5957   -1.5000    0.0000 C   0  0
   10.2966   -0.7500    0.0000 C   0  0
   10.2966    0.7500    0.0000 C   0  0
    8.9976    1.5000    0.0000 C   0  0
    7.6985    0.7500    0.0000 C   0  0
    7.6985   -0.7500    0.0000 C   0  0
    8.9976   -1.5000    0.0000 C   0  0
    6.3988    1.5004    0.0000 S   0  0
    5.1000    0.7500    0.0000 O   0  0
    6.3978    3.0004    0.0000 O   0  0
    5.0994    2.2498    0.0000 O   0  0
   38.9032    2.6332    0.0000 C   0  0
   38.2885    1.2649    0.0000 S   0  0
   39.1665    0.0487    0.0000 O   0  0
   39.7808    1.4169    0.0000 O   0  0
   36.7953    1.1135    0.0000 C   0  0
   35.9168    2.3304    0.0000 C   0  0
   34.4237    2.1789    0.0000 N   0  0
   33.5452    3.3958    0.0000 C   0  0
   32.0546    3.2447    0.0000 C   0  0
   31.0526    4.3610    0.0000 O   0  0
   29.7002    3.7421    0.0000 C   0  0
   29.8358    2.2610    0.0000 C   0  0
   31.3025    1.9468    0.0000 C   0  0
   28.4006    4.4925    0.0000 C   0  0
   28.4005    5.9925    0.0000 C   0  0
   27.1015    6.7425    0.0000 C   0  0
   25.8025    5.9924    0.0000 C   0  0
   24.5034    6.7424    0.0000 N   0  0
   23.2044    5.9924    0.0000 C   0  0
   23.2044    4.4924    0.0000 N   0  0
   24.5034    3.7424    0.0000 C   0  0
   24.5004    2.2416    0.0000 N   0  0
   23.1995    1.4930    0.0000 C   0  0
   23.1943   -0.0070    0.0000 C   0  0
   21.8927   -0.7525    0.0000 C   0  0
   20.5962    0.0020    0.0000 C   0  0
   19.2954   -0.7466    0.0000 O   0  0
   19.2924   -2.2474    0.0000 C   0  0
   17.9916   -2.9960    0.0000 C   0  0
   17.9863   -4.4961    0.0000 C   0  0
   16.6847   -5.2416    0.0000 C   0  0
   15.3883   -4.4871    0.0000 C   0  0
   15.3934   -2.9872    0.0000 C   0  0
   14.0970   -2.2327    0.0000 F   0  0
   16.6950   -2.2416    0.0000 C   0  0
   20.6014    1.5020    0.0000 C   0  0
   19.3050    2.2565    0.0000 Cl  0  0
   21.9030    2.2475    0.0000 C   0  0
   25.8025    4.4924    0.0000 C   0  0
   27.1015    3.7424    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  8 10  2  0
  8 11  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 19 21  2  0
 19 22  2  0
 23 24  1  0
 24 25  2  0
 24 26  2  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 31  2  0
 33 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  1  0
 55 57  2  0
 57 51  1  0
 48 58  1  0
 58 59  1  0
 58 60  2  0
 60 45  1  0
 43 61  1  0
 61 39  1  0
 61 62  2  0
 62 36  1  0
M  END
> <name>
Broad_2021

> <id>
33826

> <plate>
Plate_1

> <well>
F21

> <supplier_cmpd_name>
Lapatinib

> <ctcr_id>
2541

> <supplier_cmpd_id>
Lapatinib

> <smiles>
Cc1ccc(cc1)[S](O)(=O)=O.Cc2ccc(cc2)[S](O)(=O)=O.C[S](=O)(=O)CCNCc3oc(cc3)c4ccc5ncnc(Nc6ccc(OCc7cccc(F)c7)c(Cl)c6)c5c4

> <pd_targets>
{AURKB,RET,ERBB2,EGFR,ABL1,ABCB11,PDGFRB,ERBB3,KCNH2,CYP3A5,CDK2,INSR,PIK3C2B,TUBA1A,SLK,KMT2A,MEN1,PI4KB,MAP2K5,STK10,MAP2K7,RIPK2,CYP3A4,PIK3C2G,ERBB4}

> <pathway_gtopdb>
{Enzyme,Transporter,"Ion channel","Structural protein","Epigenetic regulator",Kinase,"Primary active transporter","Voltage-gated ion channel","Cytochrome P450",Transferase,Reader,"Protein Kinase","ATP
-binding cassette","Potassium channels","Cytochrome P450 family 3",Bromodomain,"Other protein kinase group","TK protein kinase group","ABCB subfamily","Voltage-gated potassium channel","Cytochrome P45
0 family 3A","CMGC protein kinase group","STE protein kinase group","TKL protein kinase group","Other protein kinase AUR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase EGFR fami
ly","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR family","Cytochrome P450 3A5","CMGC protein kinase CDK family","Tyrosine protein kinase InsR family","STE protein kinase STE20 f
amily","STE protein kinase STE7 family","TKL protein kinase RIPK family","Cytochrome P450 3A4","CMGC protein kinase CDC2 subfamily","STE protein kinase SLK subfamily"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels",Enzymes,"Other protein targets","Catalytic receptors","ATP-binding cassette transporter family","Voltage-gated ion channels","Cytochrome P450","Kinases (EC 2.7.x
.x)",Tubulins,"Receptor kinases","ABCB subfamily","Potassium channels","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid modifying kinases","STE: Homologs of yeast Sterile 7","Steri
le 11","Sterile 20 kinases","Other protein kinases","TK: Tyrosine kinase","Voltage-gated potassium channels","Cyclin-dependent kinase (CDK) family","Phosphatidylinositol-4-phosphate 3-kinase family","
STE20 family","1-phosphatidylinositol 4-kinase family","STE7 family","TKL: Tyrosine kinase-like","Aurora kinase (Aur) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)"
,"CDK1 subfamily","SLK subfamily","Receptor interacting protein kinase (RIPK) family","Type XIV RTKs: RET","Type I RTKs: ErbB (epidermal growth factor) receptor family","Abl family","Type III RTKs: PD
GFR",CSFR,Kit,"FLT3 receptor family","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Cell Cycle","Developmental Biology","Signal Transduction",Disease,Metabolism,"Muscle contraction","Gene expression (Transcription)","Immune System","Neuronal System",Mitotic,"Nervous system developm
ent","Signaling by GPCR","Infectious disease","Metabolism of lipids","Intracellular signaling by second messengers","Cardiac conduction","Biological oxidations","RNA Polymerase II Transcription","Sign
aling by Receptor Tyrosine Kinases","Innate Immune System","Transmission across Chemical Synapses","M Phase","Axon guidance","GPCR downstream signalling","Leishmania infection","Metabolism of steroids
","PIP3 activates AKT signaling","Phase 3 - rapid repolarisation","Phase I - Functionalization of compounds","Generic Transcription Pathway","Phospholipid metabolism","Mitotic G2-G2/M phases","Signali
ng by NTRKs","Neutrophil degranulation","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Mit
otic Metaphase and Anaphase","RET signaling","Semaphorin interactions","G alpha (q) signalling events","Parasite infection","Bile acid and bile salt metabolism","Negative regulation of the PI3K/AKT ne
twork","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by TP53","PI Metabolism","G2/M Transition","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","Biosynth
esis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Mitotic Anaphase","Sema4D in semaphorin signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Leishmania phag
ocytosis","Synthesis of bile acids and bile salts",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling",Xenobiotics,"Regulation of TP53 Activity","Synthesis of PIPs at the plasma membrane","Centrosome mat
uration","Synthesis of PIPs at the Golgi membrane","Signalling to ERK5","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Post NMDA receptor activation events","Separation of Si
ster Chromatids","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by Gastrin","FCGR3A-mediated phagocytosis","Synthesis of bile acids and bile salts via 7alpha-hydroxycho
lesterol","Regulation of TP53 Expression and Degradation","Loss of proteins required for interphase microtubule organization from the centrosome","MAP kinase activation","Biosynthesis of maresin-like 
SPMs","Long-term potentiation","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","activated
 TAK1 mediates p38 MAPK activation"}

> <broad_targets>
{EGFR,ERBB2}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{"Lapatinib Ditosylate",388082-77-7,388082777,Tykerb,Tyverb,"Lapatinib (GW-572016) Ditosylate","Lapatinib (GW572016) Ditosylate","Lapatinib (ditosylate)",388082-78-8,388082788,UNII-4WK72K94MC,UNII4WK7
2K94MC,4WK72K94MC,"388082-77-7 (ditosylate)","388082777 (ditosylate)","Lapatinib Ditosylate (Tykerb, Tyverb, GW-572016)","Lapatinib Ditosylate (Tykerb, Tyverb, GW572016)",Tyker,T6235,T0078L,S1028,"Lap
atinib ditosylate monohydrate",lapatinib}

> <pdid>
PD003505

> <targets>
{EGFR(HER),HER2,EGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{9941095}

$$$$
Broad_2021
  SciTegic11012413022D

 29 30  0  0  1  0            999 V2000
   -0.0100   -5.9957    0.0000 C   0  0
    1.2917   -5.2503    0.0000 C   0  0
    1.2965   -3.7503    0.0000 C   0  0
    2.5893   -6.0044    0.0000 C   0  0
    3.8917   -5.2586    0.0000 C   0  0  2  0  0  0
    5.1901   -6.0113    0.0000 C   0  0  2  0  0  0
    6.4902   -5.2631    0.0000 O   0  0
    5.1884   -7.5121    0.0000 C   0  0
    3.8883   -8.2602    0.0000 O   0  0
    6.4868   -8.2648    0.0000 N   0  0
    6.4851   -9.7648    0.0000 O   0  0
    3.8934   -3.7577    0.0000 C   0  0
    5.1935   -3.0096    0.0000 O   0  0
    2.5949   -3.0050    0.0000 N   0  0
    2.5966   -1.5042    0.0000 C   0  0  2  0  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 O   0  0
    6.4990   -0.7665    0.0000 C   0  0
    7.8495   -1.3894    0.0000 C   0  0
    8.8548   -0.2761    0.0000 C   0  0
    8.1066    1.0240    0.0000 C   0  0
    6.6390    0.7142    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    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
  5  4  1  1
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
  5 12  1  0
 12 13  2  0
 12 14  1  0
 15 14  1  1
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 19  1  0
 15 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
M  END
> <name>
Broad_2021

> <id>
33827

> <plate>
Plate_1

> <well>
G21

> <supplier_cmpd_name>
CHR 2797

> <ctcr_id>
7149

> <supplier_cmpd_id>
CHR 2797

> <smiles>
CC(C)C[C@H]([C@H](O)C(=O)NO)C(=O)N[C@H](C(=O)OC1CCCC1)c2ccccc2

> <pd_targets>
{MMP9,ANPEP,NPEPPS,MMP2,AOPEP,DNPEP,ENPEP,ERAP1,ERAP2,LAP3,LNPEP,LVRN,METAP1,METAP1D,METAP2,NPEPL1,RNPEP,RNPEPL1,XPNPEP1,XPNPEP2,XPNPEP3}

> <pathway_gtopdb>
{Enzyme,Protease,"Metallo protease","Metallo protease MAM clan","Metallo protease MAE clan","Metallo protease M10A subfamily","Metallo protease M1 family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","MA: Metallo (M) Peptidases","M10: Matrix metallopeptidase","M1: Aminopeptidase N"}

> <pathway_reactome>
{"Developmental Biology","Immune System","Nervous system development","Innate Immune System","Adaptive Immune System","Axon guidance","Neutrophil degranulation","Class I MHC mediated antigen processin
g & presentation","EPH-Ephrin signaling","Antigen processing: Ubiquitination & Proteasome degradation","EPH-ephrin mediated repulsion of cells"}

> <broad_targets>
{ANPEP,LAP3,NPEPPS}

> <broad_moa>
{"peptidase inhibitor"}

> <synonyms>
{Tosedostat,238750-77-1,238750771,"CHR 2797",CHR-2797,CHR2797,"Tosedostat (CHR2797)",UNII-KZK563J2UW,UNIIKZK563J2UW,KZK563J2UW,"Tosedostat (USAN:INN)",BB-76163,BB76163,"Tosedostat (USAN/INN)","CHR-279
7; Tosedostat","CHR2797; Tosedostat","CHR2797 - Tosedostat","CHR2797  Tosedostat",CHR-2797(Tosedostat)/,CHR2797(Tosedostat)/,MLS006011104,CHEMBL2103,T6301,3595,S1522,tosedostat}

> <pdid>
PD003619

> <targets>
{Aminopeptidase}

> <classes>
{Metabolic Enzyme/Protease}

> <pubchem_cids>
{15547703}

$$$$
Broad_2021
  SciTegic11012413022D

 28 31  0  0  0  0            999 V2000
    3.8756   -9.7579    0.0000 O   0  0
    3.8808   -8.2579    0.0000 C   0  0
    5.1824   -7.5124    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
  1  2  1  0
  2  3  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
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 14  1  0
 19 20  2  0
 20 10  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
  5 27  1  0
 27 28  2  0
 28  2  1  0
M  END
> <name>
Broad_2021

> <id>
33828

> <plate>
Plate_1

> <well>
H21

> <supplier_cmpd_name>
Ceranib-2

> <ctcr_id>
8244

> <supplier_cmpd_id>
Ceranib-2

> <smiles>
Oc1ccc(\C=C\C(=O)c2c(O)nc3ccccc3c2c4ccccc4)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ERANIB,Ceranib-2,Ceranib2,11092,ceranib-2}

> <pdid>

> <targets>
{Apoptosis,LPL Receptor}

> <classes>
{Apoptosis,GPCR/G Protein}

> <pubchem_cids>
{122388991}

$$$$
Broad_2021
  SciTegic11012413022D

 24 27  0  0  0  0            999 V2000
    0.9513   -6.4982    0.0000 O   0  0
    1.8372   -5.2877    0.0000 C   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
    1.3786   -3.8595    0.0000 S   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
   -2.5981   -3.0008    0.0000 C   0  0
   -3.8959   -3.7529    0.0000 C   0  0
   -3.8935   -5.2529    0.0000 C   0  0
   -2.5933   -6.0009    0.0000 N   0  0
   -1.2954   -5.2488    0.0000 C   0  0
   -1.2978   -3.7488    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  2  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 16 23  1  0
 23 12  1  0
 23 24  2  0
 24  9  1  0
M  END
> <name>
Broad_2021

> <id>
33829

> <plate>
Plate_1

> <well>
I21

> <supplier_cmpd_name>
GSK 1059615

> <ctcr_id>
7125

> <supplier_cmpd_id>
GSK 1059615

> <smiles>
O=C1NC(=O)\C(S1)=C\c2ccc3nccc(c4ccncc4)c3c2

> <pd_targets>
{PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIK3R1,PIK3R2,PIK3R3,PIK3R5}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

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

> <broad_targets>
{PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{GSK1059615,958852-01-2,958852012,GSK-1059615,"GSK 1059615","(Z)-5-((4-(pyridin-4-yl)quinolin-6-yl)methylene)thiazolidine-2,4-dione","(Z)5((4(pyridin4yl)quinolin6yl)methylene)thiazolidine2,4dione",UNI
I-07YMO87363,UNII07YMO87363,GSK-615,GSK615,"5-((4-(4-Pyridinyl)-6-quinolinyl)methylene)-2,4-thiazolidenedione","5((4(4Pyridinyl)6quinolinyl)methylene)2,4thiazolidenedione","GSK 1059615 sodium salt hyd
ra",S1360}

> <pdid>
PD003556

> <targets>
{mTOR,PI3K,Apoptosis}

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

> <pubchem_cids>
{23582824}

$$$$
Broad_2021
  SciTegic11012413022D

 28 30  0  0  0  0            999 V2000
   10.1969    0.3738    0.0000 H   0  3
    7.6969    0.3738    0.0000 Cl  0  5
    3.8919   -5.2525    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.0972   -0.1561    0.0000 N   0  0
   -5.7073   -1.5264    0.0000 C   0  0
   -4.8256   -2.7399    0.0000 C   0  0
   -3.3339   -2.5831    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  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  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
 12 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 26 27  1  0
 27 19  1  0
 27 28  2  0
 28 10  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
Broad_2021

> <id>
33830

> <plate>
Plate_1

> <well>
J21

> <supplier_cmpd_name>
PI-103 (Hydrochloride)

> <ctcr_id>
8356

> <supplier_cmpd_id>
PI-103 (Hydrochloride)

> <smiles>
[H+].[Cl-].Oc1cccc(c1)c2nc(N3CCOCC3)c4oc5ncccc5c4n2

> <pd_targets>
{CLK4,CDK7,PIP4K2C,JAK1,MYLK,PIK3CA,BRAF,DAPK2,PIK3CD,PIK3R1,RIOK2,PIK3CG,MTOR,PIK3CB,PRKDC,FLT3,TYK2,DYRK1B,PIM3,MAP3K19,PIK3C2B,DAPK3,PIK3C2G,LIMK2,RAF1,CDC42BPA,DAPK1,HIPK2,CSNK2A2,CLK3,DYRK2,PIK3C
2A,CHUK,CLK1,CLK2,CSNK2A1,PI4KB,HIPK3,HIPK1,MLST8,RPTOR,MAPKAP1,RICTOR}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","CMGC protein kinase group","TK protein kinase group","CAMK protein kinase group","TKL protein kinase group","Atypical protein kinase group","STE protein ki
nase group","AGC protein kinase group","Other protein kinase group","CMGC protein kinase CLK family","CMGC protein kinase CDK family","Tyrosine protein kinase JakA family","CAMK protein kinase MLCK fa
mily","TKL protein kinase RAF family","CAMK protein kinase DAPK family","Atypical protein kinase RIO family","Atypical protein kinase PIKK family","Tyrosine protein kinase PDGFR family","CMGC protein 
kinase DYRK family","CAMK protein kinase PIM family","STE protein kinase STE11 family","TKL protein kinase LISK family","AGC protein kinase DMPK family","Other protein kinase CK2 family","Other protei
n kinase IKK family","CMGC protein kinase CDK7 subfamily","Atypical protein kinase RIO2 subfamily","Atypical protein kinase FRAP subfamily","CMGC protein kinase Dyrk1 subfamily","TKL protein kinase LI
MK subfamily","AGC protein kinase GEK subfamily","CMGC protein kinase HIPK subfamily","CMGC protein kinase Dyrk2 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid modifying kinases","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein
 kinases",Atypical,"STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CLK family","Cyclin-dependent kinase (CDK) family","Type II PIP kinase
s (1-phosphatidylinositol-5-phosphate 4-kinase family)","TK: Tyrosine kinase","Myosin Light Chain Kinase (MLCK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","TKL: Tyrosine kinase-li
ke","Death-associated kinase (DAPK) family","RIO family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family",
"PIM family","STE20 family","Phosphatidylinositol-4-phosphate 3-kinase family","DMPK family","Other protein kinases","1-phosphatidylinositol 4-kinase family","CDK7 subfamily","Non-receptor tyrosine ki
nases (nRTKs)","RAF family","RIO2 subfamily","FRAP subfamily","Other PIKK family kinases","Receptor tyrosine kinases (RTKs)","Dyrk1 subfamily","STE20 subfamily","LIM domain kinase (LISK) family","GEK 
subfamily","HIPK subfamily","Casein kinase 2 (CK2) family","Dyrk2 subfamily","IKK family","Janus kinase (JakA) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","LIMK subfamily"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Immune System","Signal Transduction","Programmed Cell Death","Metabolism of RNA",Metabolism,"Developmental Biology","Infectious disease","RNA Polymerase II 
Transcription","Cytokine Signaling in Immune system","Signaling by Rho GTPases","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinas
es",Apoptosis,"rRNA processing","Metabolism of lipids","Innate Immune System","Nervous system development","MAPK family signaling cascades","HIV Infection","Generic Transcription Pathway","Interferon 
Signaling","RHO GTPase Effectors","Signaling by FGFR in disease","Signaling by NTRKs","Caspase activation via extrinsic apoptotic signalling pathway","rRNA processing in the nucleus and cytosol","Phos
pholipid metabolism","Signaling by Interleukins","Signaling by Insulin receptor","Cytosolic sensors of pathogen-associated DNA","Axon guidance","MAPK1/MAPK3 signaling","Toll-like Receptor Cascades","H
IV Life Cycle","Transcriptional Regulation by TP53","Antiviral mechanism by IFN-stimulated genes","RHO GTPases activate PAKs","Signaling by FGFR1 in disease","Signaling by NTRK1 (TRKA)","Caspase activ
ation via Dependence Receptors in the absence of ligand","Major pathway of rRNA processing in the nucleolus and cytosol","PI Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Insulin rec
eptor signalling cascade","STING mediated induction of host immune responses","Interferon alpha/beta signaling","Semaphorin interactions","RAF/MAP kinase cascade","Toll Like Receptor 4 (TLR4) Cascade"
,"Late Phase of HIV Life Cycle","Regulation of TP53 Activity","ISG15 antiviral mechanism","FGFR1 mutant receptor activation","Signalling to ERKs","Synthesis of PIPs at the plasma membrane","Interleuki
n receptor SHC signaling","IRS-mediated signalling","IRF3-mediated induction of type I IFN","Regulation of IFNA signaling","Synthesis of PIPs at the Golgi membrane","Sema4D in semaphorin signaling","N
egative regulation of MAPK pathway","Synthesis of PIPs at the early endosome membrane","MyD88-independent TLR4 cascade","Transcription of the HIV genome","Regulation of TP53 Activity through Acetylati
on","Signaling by cytosolic FGFR1 fusion mutants","Prolonged ERK activation events","Regulation of TP53 Expression and Degradation","PI3K Cascade","Sema4D induced cell migration and growth-cone collap
se","Negative feedback regulation of MAPK pathway","Regulation of TP53 Activity through Phosphorylation","TRIF(TICAM1)-mediated TLR4 signaling","HIV Transcription Elongation","PI5P Regulates TP53 Acet
ylation","ARMS-mediated activation","Regulation of TP53 Degradation","IKK complex recruitment mediated by RIP1","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex
 containing HIV-1 Tat"}

> <broad_targets>
{MTOR,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PRKDC}

> <broad_moa>
{"mTOR inhibitor","PI3K inhibitor"}

> <synonyms>
{7193579,371935-79-4,371935794,"PI-103 (Hydrochloride)","PI103 (Hydrochloride)","PI-103 Hydrochloride","PI103 Hydrochloride","PI 103 HYDROCHLORIDE",CHEMBL538346,"PI103 hydrochloride",PubChem22442,C19H
16N4O3.ClH,C19H16N4O3.HCl,DTXSID30587490,3971AH,ABP000093,HY-10115A,HY10115A,LT0082,AKOS024457341,CS-0760,CS0760,SB10966,PI,2930,"PI 103 hydrochloride"}

> <pdid>
PD003364

> <targets>
{PI3K,Apoptosis,Autophagy,DNA-PK,mTOR}

> <classes>
{Apoptosis,Autophagy,Cell Cycle/DNA Damage,PI3K/Akt/mTOR}

> <pubchem_cids>
{16739368}

$$$$
Broad_2021
  SciTegic11012413022D

 26 28  0  0  0  0            999 V2000
    7.6646   -3.8335    0.0000 Cl  0  0
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 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
    0.6890   -4.0818    0.0000 C   0  0
    0.2235   -5.5086    0.0000 O   0  0
    1.2256   -6.6258    0.0000 C   0  0
    0.7624   -8.0525    0.0000 C   0  0
    1.7663   -9.1671    0.0000 C   0  0
    3.2334   -8.8550    0.0000 C   0  0
    3.6967   -7.4283    0.0000 C   0  0
    5.1639   -7.1162    0.0000 Cl  0  0
    2.6929   -6.3137    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -3.8813   -1.4408    0.0000 C   0  0
   -4.9619   -2.4740    0.0000 C   0  0
   -6.4014   -2.0524    0.0000 C   0  0
   -6.7561   -0.5949    0.0000 O   0  0
   -5.6713    0.4410    0.0000 C   0  0
   -4.2318    0.0194    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  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
  9 19  2  0
 19 20  1  0
 20  7  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
M  END
> <name>
Broad_2021

> <id>
33831

> <plate>
Plate_1

> <well>
K21

> <supplier_cmpd_name>
PF 4800567 hydrochloride

> <ctcr_id>
8316

> <supplier_cmpd_id>
PF 4800567 hydrochloride

> <smiles>
Cl.Nc1ncnc2c1c(COc3cccc(Cl)c3)nn2C4CCOCC4

> <pd_targets>
{CSNK1E,CSNK1D}

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

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

> <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>
{CSNK1D,CSNK1E}

> <broad_moa>
{"casein kinase inhibitor"}

> <synonyms>
{"PF-4800567 Hydrochloride","PF4800567 Hydrochloride",1391052-28-0,1391052280,"1391052 28 0","1391052-28-0 (HCl)","1391052280 (HCl)","1391052 28 0 (HCl)",SCHEMBL18921541,"PF-4800567 HCl","PF4800567 HC
l","PF 4800567 HCl",AKOS024,T5056,4281,PF-4800567,"PF 4800567 hydrochloride"}

> <pdid>
PD003265

> <targets>
{"Casein Kinase 1","Casein Kinase"}

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

> <pubchem_cids>
{71751553}

$$$$
Broad_2021
  SciTegic11012413022D

 49 46  0  0  1  0            999 V2000
   25.1938    0.6204    0.0000 O   0  0
   22.6938    0.6204    0.0000 O   0  0
   20.1938    0.6204    0.0000 O   0  0
   17.6938    0.6204    0.0000 O   0  0
   15.1938    0.6204    0.0000 O   0  0
   12.6938    0.6204    0.0000 O   0  0
   10.1938    0.6204    0.0000 O   0  0
    7.6938    0.6204    0.0000 O   0  0
   -0.0133   -5.9950    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0  2  0  0  0
    1.2935   -3.7495    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0000    2.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -1.2990    2.2508    0.0000 C   0  0
   -0.4333    2.7514    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0  1  0  0  0
   -2.5981    3.0000    0.0000 C   0  0  2  0  0  0
   -1.2991    3.7500    0.0000 O   0  0
   -3.8972    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0  2  0  0  0
   -5.3512    4.4919    0.0000 C   0  0
   -6.6112    3.4635    0.0000 C   0  0  2  0  0  0
   -7.4928    2.2499    0.0000 C   0  0
   -6.6112    1.0364    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0  1  0  0  0
   -5.3512    0.0080    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0  2  0  0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -2.2500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -7.0732    4.8913    0.0000 C   0  0
   -6.2824    6.1452    0.0000 C   0  0
   -7.2560    7.2863    0.0000 C   0  0
   -6.9050    8.7447    0.0000 O   0  0
   -8.6421    6.7131    0.0000 O   0  0
   -8.5252    5.2176    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0  2  0  0  0
    5.1932   -3.0130    0.0000 O   0  0
    3.8864   -5.2585    0.0000 C   0  0  2  0  0  0
    5.1828   -6.0130    0.0000 O   0  0
    2.5847   -6.0040    0.0000 C   0  0  1  0  0  0
    2.5796   -7.5040    0.0000 O   0  0
 10  9  1  6
 10 11  1  0
 11 12  1  0
 12 13  1  1
 14 13  1  6
 14 15  1  0
 15 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  1  6
 19 20  1  0
 21 18  1  6
 21 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
 30 31  1  6
 30 32  1  0
 32 21  1  0
 32 33  1  1
 33 34  1  0
 34 35  1  0
 35 18  1  0
 35 36  1  6
 35 37  1  0
 37 14  1  0
 27 38  1  6
 38 39  2  3
 39 40  1  0
 40 41  2  0
 40 42  1  0
 42 43  1  0
 43 38  1  0
 12 44  1  0
 44 45  1  6
 44 46  1  0
 46 47  1  6
 46 48  1  0
 48 10  1  0
 48 49  1  1
M  END
> <name>
Broad_2021

> <id>
33832

> <plate>
Plate_1

> <well>
L21

> <supplier_cmpd_name>
Ouabain (Octahydrate)

> <ctcr_id>
7278

> <supplier_cmpd_id>
Ouabain (Octahydrate)

> <smiles>
O.O.O.O.O.O.O.O.C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O

> <pd_targets>
{ATP1A2,ATP1B1,GMNN,ATP1A1,ATP1A3,ATP1A4,ATP1B2,ATP1B3,FXYD2,LMNA,PMP22,TP53,KLF5,AMPC,STAT3,KCNH2}

> <pathway_gtopdb>
{Transporter,"Unclassified protein","Other nuclear protein","Transcription factor",Enzyme,"Ion channel","Primary active transporter",Hydrolase,"Voltage-gated ion channel","P-type ATPase","Potassium ch
annels","Sodium potassium ATPase","Voltage-gated potassium channel"}

> <pathway_chembl>
{"Other protein targets","Ion channels",Transporters,"Transcription factors","Voltage-gated ion channels","P-type ATPases","STAT transcription factors","Potassium channels","P2C P-type ATPases","Volta
ge-gated potassium channels",Na<sup>+</sup>/K<sup>+</sup>-ATPases}

> <pathway_reactome>
{"Cell Cycle","Developmental Biology",Disease,"Muscle contraction",Mitotic,"Nervous system development","Cell Cycle Checkpoints","Transcriptional regulation of granulopoiesis","Diseases of signal tran
sduction by growth factor receptors and second messengers","Cardiac conduction","Infectious disease","Mitotic G1 phase and G1/S transition","M Phase","EGR2 and SOX10-mediated initiation of Schwann cel
l myelination","G1/S DNA Damage Checkpoints","Signaling by FGFR in disease","Phase 3 - rapid repolarisation","SARS-CoV Infections","G1/S Transition","Mitotic Metaphase and Anaphase","p53-Dependent G1/
S DNA damage checkpoint","Signaling by FGFR1 in disease","Potential therapeutics for SARS","Activation of the pre-replicative complex","Mitotic Anaphase","p53-Dependent G1 DNA Damage Response","FGFR1 
mutant receptor activation","Nuclear Envelope (NE) Reassembly","Stabilization of p53","Signaling by cytosolic FGFR1 fusion mutants","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation o
f the E3 ubiquitin ligase COP1"}

> <broad_targets>
{ATP1A1}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{"Ouabain octahydrate",11018-89-6,11018896,"11018 89 6",G-Strophanthin,GStrophanthin,"G Strophanthin",UNII-1K0J875G48,UNII1K0J875G48,"UNII 1K0J875G48","Strophantine octahydrate",MFCD00149240,1K0J875G4
8,"Ouabain octahydrate, 96","Quabain octahydrate",S4016,Ouabain,"Ouabain (Octahydrate)"}

> <pdid>
PD002643

> <targets>
{Sodium Channel,Autophagy,Na+/K+ ATPase}

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

> <pubchem_cids>
{6364534}

$$$$
Broad_2021
  SciTegic11012413022D

 24 26  0  0  0  0            999 V2000
    6.4983   -0.7414    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.4469   -5.2298    0.0000 C   0  0
   -2.9152   -5.5365    0.0000 C   0  0
   -3.6607   -4.2349    0.0000 C   0  0
   -5.1498   -4.0700    0.0000 S   0  0
   -5.7532   -2.6967    0.0000 C   0  0
   -2.6531   -3.1237    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15  6  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 21 24  1  0
 24 18  1  0
M  END
> <name>
Broad_2021

> <id>
33833

> <plate>
Plate_1

> <well>
M21

> <supplier_cmpd_name>
SR 8278

> <ctcr_id>
8361

> <supplier_cmpd_id>
SR 8278

> <smiles>
CCOC(=O)C1Cc2ccccc2CN1C(=O)c3ccc(SC)s3

> <pd_targets>
{NR1D1}

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

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1D. Rev-Erb receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Nuclear Receptor transcription pathway"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SR8278,1254944-66-5,1254944665,"SR 8278",SR-8278,GTPL2904,SCHEMBL20488638,AOB3652,DTXSID80693813,SYN5023,"SR8278, >=98, semisolid",EX-A4711,EXA4711,AKOS024458171,AS-16390,AS16390,HY-14415,HY14415,CS-
0003348,CS0003348,J-005234,J005234,Q27088866,4463}

> <pdid>
PD003708

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{53393127}

$$$$
Broad_2021
  SciTegic11012413022D

 31 34  0  0  0  0            999 V2000
    7.6994    4.5206    0.0000 C   0  0
    6.1994    4.5163    0.0000 N   0  0
    5.3212    3.3003    0.0000 N   0  0
    3.8941    3.7597    0.0000 C   0  0
    2.5972    3.0060    0.0000 C   0  0
    1.2961    3.7523    0.0000 C   0  0
    1.2918    5.2523    0.0000 C   0  0
    2.5887    6.0060    0.0000 C   0  0
    3.8898    5.2597    0.0000 C   0  0
    5.3143    5.7273    0.0000 C   0  0
    5.7736    7.1552    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -0.0014    1.5008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 N   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -5.1977    2.9828    0.0000 N   0  0
   -5.1903    1.4820    0.0000 C   0  0
   -6.4841    0.7230    0.0000 C   0  0
   -6.4738   -0.7770    0.0000 C   0  0
   -5.1696   -1.5180    0.0000 C   0  0
   -5.1592   -3.0180    0.0000 C   0  0
   -3.8757   -0.7590    0.0000 C   0  0
   -3.8861    0.7409    0.0000 C   0  0
   -2.5708   -1.5004    0.0000 S   0  0
   -1.2773   -0.7410    0.0000 N   0  0
   -2.5595   -3.0004    0.0000 O   0  0
   -1.2663   -2.2408    0.0000 O   0  0
   -2.6005    2.9949    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  4  1  0
  9 10  2  0
 10  2  1  0
 10 11  1  0
  6 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 20  1  0
 25 27  1  0
 27 28  1  0
 27 29  2  0
 27 30  2  0
 18 31  2  0
 31 14  1  0
M  END
> <name>
Broad_2021

> <id>
33834

> <plate>
Plate_1

> <well>
N21

> <supplier_cmpd_name>
Pazopanib

> <ctcr_id>
2306

> <supplier_cmpd_id>
Pazopanib

> <smiles>
Cn1nc2cc(ccc2c1C)N(C)c3ccnc(Nc4ccc(C)c(c4)[S](N)(=O)=O)n3

> <pd_targets>
{RET,ABL1,ABL2,JAK3,MAPK10,DDR2,LCK,EIF2AK2,PTK6,RAF1,MAP4K2,FGR,FYN,MYLK2,ROS1,STK36,PLK4,MAP2K4,EPHB6,FGFR3,MAP3K11,TXK,LIMK1,MAP3K10,CAMK1G,LIMK2,STK10,KIT,FLT4,FGFR1,FLT1,CDK16,PDGFRB,FRK,TNIK,MAP
K8,NEK2,DDR1,TGFBR2,KDR,MAP4K1,MAP4K3,BMP2K,MAP2K6,CDK11A,MAP3K9,LYN,FLT3,PI4KB,RIPK1,BLK,AURKC,SIK1,TIE1,ACHE,IGF1R,JAK2,GAK,RIOK2,ALK,FER,FGFR2,RIPK2,BRAF,CAMK1,NLK,TTK,PDGFRA,AAK1,ACVR2B,FGFR4,YES1
,MAP3K2,SYK,PTK2,EGFR,CSF1R,CDPK1,MERTK,STK16,MAP4K4,MAP4K5,CDK11B,PIP5K1C,PIP4K2C,MAP3K19,IRAK3,MET,BMPR1B,CDK7,TNK1,TAOK3,TAOK2,MAPK9,FES,HCK,TAOK1,LTK,IRAK1,TYK2,AURKA,TEK,MARK3,AURKB,MAP3K1,MAP2K5
,SRC,SRMS,SIK2,SLK,TNK2,NEK5,ABCB11,ABCC4,ITK,FGF1,SH2B3}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transporter,"Secreted protein",Kinase,Transferase,Hydrolase,"Primary active transporter","Protein Kinase","ATP-binding cassette","TK protein kinase group","CMGC protein 
kinase group","Other protein kinase group","TKL protein kinase group","STE protein kinase group","CAMK protein kinase group","Atypical protein kinase group","ABCB subfamily","ABCC subfamily","Tyrosine
 protein kinase Ret family","Tyrosine protein kinase Abl family","Tyrosine protein kinase JakA family","CMGC protein kinase MAPK family","Tyrosine protein kinase DDR family","Tyrosine protein kinase S
rc family","Other protein kinase PEK family","TKL protein kinase RAF family","STE protein kinase STE20 family","CAMK protein kinase MLCK family","Tyrosine protein kinase Sev family","Other protein kin
ase ULK family","Other protein kinase PLK family","STE protein kinase STE7 family","Tyrosine protein kinase FGFR family","TKL protein kinase MLK family","Tyrosine protein kinase Tec family","TKL prote
in kinase LISK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase VEGFR family","CMGC protein kinase CDK family","Other protein kinase NEK famil
y","TKL protein kinase STKR family","Other protein kinase NAK family","TKL protein kinase RIPK family","Other protein kinase AUR family","Tyrosine protein kinase Tie family","Tyrosine protein kinase I
nsR family","Atypical protein kinase RIO family","Tyrosine protein kinase Fer family","Other protein kinase TTK family","STE protein kinase STE11 family","Tyrosine protein kinase Syk family","Tyrosine
 protein kinase Fak family","Tyrosine protein kinase Axl family","TKL protein kinase IRAK family","Tyrosine protein kinase Met family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Alk
 family","CMGC protein kinase JNK subfamily","Other protein kinase PKR","STE protein kinase KHS subfamily","Tyrosine protein kinase SrcA","TKL protein kinase MLK subfamily","TKL protein kinase LIMK su
bfamily","STE protein kinase SLK subfamily","CMGC protein kinase TAIRE subfamily","STE protein kinase MSN subfamily","TKL protein kinase STKR Type 2 subfamily","CMGC protein kinase PITSLRE subfamily",
"CAMK protein kinase QIK subfamily","Atypical protein kinase RIO2 subfamily","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase nmo subfamily","STE protein kinase MEKK2","CMGC protein kin
ase CDK7 subfamily","STE protein kinase TAO subfamily","CAMK protein kinase MARK subfamily","Tyrosine protein kinase Srm"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)","Acetylcholine turnover","ATP-binding cassette transporter family","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK
 families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kinases","Lipid modifying kinases",Atypical,"ABCB subfamily","ABCC subfamily
","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Other protein kinases","TKL: Tyrosine kinase-like","STE20 family","Myosin Light Chain Kinase (MLCK) family","STE7 family","CA
MK1 family","Cyclin-dependent kinase (CDK) family","1-phosphatidylinositol 4-kinase family","CAMK-like (CAMKL) family","RIO family","STE11 family","Type I PIP kinases (1-phosphatidylinositol-4-phospha
te 5-kinase family)","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","JNK subfamily","PEK family",
"RAF family","KHS subfamily","Unc-51-like kinase (ULK) family","Polo-like kinase (PLK) family","Mixed Lineage Kinase (MLK) family","LIM domain kinase (LISK) family","SLK subfamily","TAIRE subfamily","
MSN subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","Receptor serine/threonine kinase (RSTK) family","Numb-associated kinase (NAK) family","PITSLRE subfamily","Receptor intera
cting protein kinase (RIPK) family","Aurora kinase (Aur) family","QIK subfamily","RIO2 subfamily","nmo subfamily","TTK family","NAK family","STE20 subfamily","Interleukin-1 receptor-associated kinase 
(IRAK) family","CDK7 subfamily","TAO subfamily","MARK subfamily","Type XIV RTKs: RET","Abl family","Janus kinase (JakA) family","Type XVI RTKs: DDR (collagen receptor) family","Src family","Other PEK 
family kinases","Type XVII RTKs: ROS receptors","Type XIII RTKs: Ephrin receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","MLK subfamily","Tec family","LIMK subfamily","Ty
pe III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type II receptor serine/threonine kinases","Type XII RTKs: TIE family of 
angiopoietin receptors","Type II RTKs: Insulin receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Fer family","Syk family","Fak family","Type XI RTKs: TAM (TYRO3-","AXL
- and MER-TK) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type I receptor serine/threonine kinases","Ack family"}

> <pathway_reactome>
{"Developmental Biology",Disease,"Immune System","Extracellular matrix organization","Cell Cycle","Signal Transduction","Cellular responses to external stimuli","Gene expression (Transcription)",Metab
olism,"Circadian Clock","Vesicle-mediated transport","Metabolism of RNA","Neuronal System",Hemostasis,"Nervous system development","Infectious disease","Cytokine Signaling in Immune system","Innate Im
mune System","Non-integrin membrane-ECM interactions",Mitotic,"MAPK family signaling cascades","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor
 Tyrosine Kinases","Intracellular signaling by second messengers","Cellular responses to stress","RNA Polymerase II Transcription","Metabolism of lipids","Membrane Trafficking","rRNA processing","Tran
smission across Chemical Synapses","Signaling by WNT","Signaling by NODAL","Cell surface interactions at the vascular wall","Signaling by TGFB family members","Signaling by Non-Receptor Tyrosine Kinas
es","Platelet activation","signaling and aggregation","Adaptive Immune System","Axon guidance","Leishmania infection","Signaling by Interleukins","Toll-like Receptor Cascades","HIV Infection","Influen
za Infection","Mitotic G1 phase and G1/S transition","MAPK1/MAPK3 signaling","Mitotic G2-G2/M phases","Signaling by FGFR in disease","Oncogenic MAPK signaling","Fc epsilon receptor (FCERI) signaling",
"Neutrophil degranulation","Signaling by KIT in disease","Signaling by VEGF","PIP3 activates AKT signaling","Cellular Senescence","Regulation of mitotic cell cycle","Signaling by TGF-beta Receptor Com
plex in Cancer","Generic Transcription Pathway","Signaling by Insulin receptor","Phospholipid metabolism","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","trans-Golgi Network Vesic
le Budding","rRNA processing in the nucleus and cytosol","Signaling by SCF-KIT","Signaling by NTRKs","Neurotransmitter receptors and postsynaptic signal transmission","Beta-catenin independent WNT sig
naling","Signaling by PDGFR in disease","Clathrin-mediated endocytosis","Regulation of signaling by NODAL","Signaling by FGFR","Signaling by BMP","M Phase","Interferon Signaling","Signaling by PTK6","
Metabolism of steroids","Response to elevated platelet cytosolic Ca2+","TCR signaling","FLT3 Signaling","RET signaling","Parasite infection","Signaling by ROBO receptors","Interleukin-2 family signali
ng","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","NS1 Mediated Effects on Host Pathways","G1 Phase","RAF/MAP kinase cascade","Leishmania parasite growth and survival","G2/M
 Transition","EPH-Ephrin signaling","Signaling by FGFR3 in disease","Signaling by RAS mutants","FCERI mediated Ca+2 mobilization","Semaphorin interactions","Drug resistance of KIT mutants","VEGF ligan
d-receptor interactions","Signaling by FGFR1 in disease","Negative regulation of the PI3K/AKT network","PTEN Regulation","Oxidative Stress Induced Senescence","APC/C-mediated degradation of cell cycle
 proteins","Loss of Function of SMAD2/3 in Cancer","VEGFA-VEGFR2 Pathway","Transcriptional Regulation by TP53","Insulin receptor signalling cascade","PI Metabolism","Toll Like Receptor 4 (TLR4) Cascad
e","Transcriptional regulation by RUNX1","Glycerophospholipid biosynthesis","IGF1R signaling cascade","Golgi Associated Vesicle Biogenesis","Major pathway of rRNA processing in the nucleolus and cytos
ol","Signaling by FGFR2 in disease","Signaling by NTRK1 (TRKA)","Activation of NMDA receptors and postsynaptic events","Ca2+ pathway","Drug resistance of PDGFR mutants","Cargo recognition for clathrin
-mediated endocytosis","Signaling by FGFR4","Transcriptional Regulation by VENTX","Toll Like Receptor 2 (TLR2) Cascade","HIV Life Cycle","Mitotic Metaphase and Anaphase","Interferon alpha/beta signali
ng","PTK6 Down-Regulation","Bile acid and bile salt metabolism","Platelet degranulation","Generation of second messenger molecules","Negative regulation of FLT3","Leishmania phagocytosis","Role of ABL
 in ROBO-SLIT signaling","Interleukin-15 signaling","MyD88 cascade initiated on plasma membrane","The role of Nef in HIV-1 replication and disease pathogenesis","Inhibition of PKR","Cyclin D associate
d events in G1","Negative regulation of MAPK pathway","Anti-inflammatory response favouring Leishmania parasite infection","Centrosome maturation","EPHB-mediated forward signaling","Signaling by FGFR3
 point mutants in cancer","Signaling downstream of RAS mutants","Sema4D in semaphorin signaling","Dasatinib-resistant KIT mutants","VEGF binds to VEGFR leading to receptor dimerization","FGFR1 mutant 
receptor activation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Regulation of PTEN stability and activity","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","SMAD2/
3 Phosphorylation Motif Mutants in Cancer","VEGFR2 mediated cell proliferation","Regulation of TP53 Activity","IRS-mediated signalling","Synthesis of PIPs at the Golgi membrane","MyD88-independent TLR
4 cascade","RUNX1 regulates transcription of genes involved in BCR signaling","Synthesis of PC","IRS-related events triggered by IGF1R","FGFR2 mutant receptor activation","Signalling to ERKs","Post NM
DA receptor activation events","Imatinib-resistant PDGFR mutants","Downstream signaling of activated FGFR4","SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion","Toll Like Receptor TLR6
:TLR2 Cascade","Late Phase of HIV Life Cycle","CRMPs in Sema3A signaling","Mitotic Anaphase","Regulation of IFNA signaling","Signalling to ERK5","Synthesis of bile acids and bile salts","FCGR3A-mediat
ed phagocytosis","MAP kinase activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Negative feedback regulation of MAPK pathway","FCGR3A-mediate
d IL10 synthesis","Nef and signal transduction","Loss of proteins required for interphase microtubule organization from the centrosome","FGFR3 mutant receptor activation","Sema4D induced cell migratio
n and growth-cone collapse","Signaling by activated point mutants of FGFR1","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity through Acetylation","Recruitment of mit
otic centrosome proteins and complexes","PI3K Cascade","TRIF(TICAM1)-mediated TLR4 signaling","Activated point mutants of FGFR2","Prolonged ERK activation events","Activation of RAC1 downstream of NMD
ARs","FRS-mediated FGFR4 signaling","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Sema4D mediated inhibition of cell attachment and migration","Transcription of the HIV genome","Separation 
of Sister Chromatids","Regulation of TP53 Activity through Phosphorylation","Signalling to RAS","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAPK targets/ Nuclear events med
iated by MAP kinases","Nef Mediated CD4 Down-regulation","Loss of Nlp from mitotic centrosomes","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Signaling by act
ivated point mutants of FGFR3","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","PI5P Regulates TP53 Acetylation","IKK complex recruitment medi
ated by RIP1","activated TAK1 mediates p38 MAPK activation","ARMS-mediated activation","HIV Transcription Elongation","p38MAPK events","Activation of the AP-1 family of transcription factors","APC-Cdc
20 mediated degradation of Nek2A","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{CSF1R,FGF1,FGFR1,FGFR3,FLT1,FLT4,ITK,KDR,KIT,PDGFRA,PDGFRB,SH2B3}

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

> <synonyms>
{Pazopanib,444731-52-6,444731526,GW786034,UNII-7RN5DR86CK,UNII7RN5DR86CK,"Pazopanib (GW-786034)","Pazopanib (GW786034)","GW 786034",790713-33-6,790713336,7RN5DR86CK,"GW 78603",CHEBI:71219,MFCD11616589
,NCGC00188865-01,NCGC0018886501,DSSTox_CID_28659,DSSToxCID28659,DSSTox-CID-28659,"DSSTox CID 28659",DSSTox_RID_82929,DSSToxRID82929,DSSTox-RID-82929,"DSSTox RID 82929",DSSTox_GSID_48733,DSSToxGSID4873
3,DSSTox-GSID-48733,"DSSTox GSID 48733",GW-786034,C21H23N7O2S,CAS-444731-52,CAS44473152,T0097L,SY-Pazopanib,"Pazopanib (GW786034, Votrient)",PAZOPANIB}

> <pdid>
PD003339

> <targets>
{VEGFR,"VEGFR KIT PDGFR"}

> <classes>
{}

> <pubchem_cids>
{10113978}

$$$$
Broad_2021
  SciTegic11012413022D

 30 33  0  0  1  0            999 V2000
    3.8976   -0.7465    0.0000 C   0  0
    2.5998   -1.4987    0.0000 C   0  0  1  0  0  0
    2.6028   -2.9995    0.0000 N   0  0
    3.9036   -3.7481    0.0000 C   0  0
    5.2002   -2.9938    0.0000 C   0  0
    6.5017   -3.7394    0.0000 C   0  0
    6.5068   -5.2394    0.0000 C   0  0
    5.2103   -5.9938    0.0000 C   0  0
    3.9087   -5.2482    0.0000 C   0  0
    2.6131   -6.0057    0.0000 C   0  0
    2.6204   -7.5057    0.0000 O   0  0
    1.3102   -5.2624    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 N   0  0
   -2.5969   -6.0029    0.0000 C   0  0
   -2.5945   -7.5029    0.0000 C   0  0
   -1.2942   -8.2509    0.0000 O   0  0
    0.0036   -7.4988    0.0000 C   0  0
    0.0012   -5.9988    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
  2 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  3
 23 13  1  0
 23 17  1  0
 21 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 15 30  1  0
M  END
> <name>
Broad_2021

> <id>
33835

> <plate>
Plate_1

> <well>
O21

> <supplier_cmpd_name>
AZD 6482

> <ctcr_id>
7382

> <supplier_cmpd_id>
AZD 6482

> <smiles>
C[C@@H](Nc1ccccc1C(=O)O)C2=CC(=CN3C(=O)C=C(N=C23)N4CCOCC4)C

> <pd_targets>
{PIK3CB,PIK3CG,PIK3CD,PIK3CA,PIK3R1,PIK3R2,PIK3R3,PIK3R5}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Lipid modifying kinases",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Immune System",Disease,"Signaling by Receptor Tyrosine Kinases","Metabolism of lipids","Cytokine Signaling in Immune system","Diseases of signal transduction by grow
th factor receptors and second messengers","Signaling by Insulin receptor","Phospholipid metabolism","Signaling by Interleukins","Signaling by FGFR in disease","Insulin receptor signalling cascade","P
I Metabolism",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Signaling by FGFR1 in disease","IRS-mediated signalling","Synthesis of PIPs at the plasma membrane","Interleukin receptor SHC signalin
g","FGFR1 mutant receptor activation","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
{PIK3CA,PIK3CB,PIK3CD,PIK3CG}

> <broad_moa>
{"PI3K inhibitor"}

> <synonyms>
{AZD6482,1173900-33-8,1173900338,"AZD 6482",AZD-6482,CHEMBL2165191,UNII-78G6MP5PZ5,UNII78G6MP5PZ5,78G6MP5PZ5,"1173900-33-8 (free base)","1173900338 (free base)",4urk,KIN-193,KIN193,PubChem19330,cc-495
,cc495,MLS006010986,GTPL8059,SCHEMBL1812377,CHEBI:91359,AOB3536,DTXSID00657619,"AZD 6482 (WHO-DD)","AZD 6482 (WHODD)",ACT06822,EX-A18,EXA18,S1462}

> <pdid>
PD003410

> <targets>
{PI3K,Autophagy}

> <classes>
{Autophagy,PI3K/Akt/mTOR}

> <pubchem_cids>
{44137675}

$$$$
Broad_2021
  SciTegic11012413022D

 18 19  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0  2  0  0  0
   -3.9492    0.8772    0.0000 O   0  0
   -4.9546    1.9903    0.0000 C   0  0  2  0  0  0
   -6.4441    1.8282    0.0000 C   0  0
   -7.0500    0.4561    0.0000 O   0  0
   -4.2067    3.2905    0.0000 C   0  0  1  0  0  0
   -4.8190    4.6599    0.0000 O   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -1.3214    2.4906    0.0000 F   0  0
   -3.0655    4.4450    0.0000 F   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  3
  8  2  1  0
  9  6  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  6
 12 13  1  0
 11 14  1  0
 14 15  1  1
 14 16  1  0
 16  9  1  0
 16 17  1  0
 16 18  1  0
M  END
> <name>
Broad_2021

> <id>
33836

> <plate>
Plate_1

> <well>
P21

> <supplier_cmpd_name>
Gemcitabine

> <ctcr_id>
2701

> <supplier_cmpd_id>
Gemcitabine

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

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

> <pathway_gtopdb>
{Enzyme,Transferase,Oxidoreductase}

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

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

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

> <broad_moa>
{"ribonucleotide reductase inhibitor"}

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

> <pdid>
PD003524

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{60750}

$$$$
Broad_2021
  SciTegic11012413022D

 26 30  0  0  0  0            999 V2000
   11.5035   -5.2462    0.0000 C   0  0
   10.1342   -4.6338    0.0000 N   0  0
    8.8339   -5.3815    0.0000 C   0  0
    7.7422   -4.3714    0.0000 C   0  0
    8.3333   -3.0066    0.0000 C   0  0
    9.8249   -3.1660    0.0000 N   0  0
    6.2733   -4.6785    0.0000 C   0  0
    5.8050   -6.1036    0.0000 C   0  0
    4.3368   -6.4106    0.0000 C   0  0
    3.3368   -5.2925    0.0000 C   0  0
    1.8376   -5.2878    0.0000 N   0  0
    1.3788   -3.8597    0.0000 N   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
   -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
    3.8050   -3.8675    0.0000 N   0  0
    5.2733   -3.5605    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 18  1  0
 23 24  2  0
 24 15  1  0
 13 25  1  0
 25 10  1  0
 25 26  1  0
 26  7  2  0
M  END
> <name>
Broad_2021

> <id>
33837

> <plate>
Plate_1

> <well>
A22

> <supplier_cmpd_name>
SGX 523

> <ctcr_id>
1515

> <supplier_cmpd_id>
SGX 523

> <smiles>
Cn1cc(cn1)c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2

> <pd_targets>
{MET,PIP4K2C,DYRK1A,MAP3K19,MAPK10,MAPK8,PDE3A,PDE3B,DYRK1B,ABL1}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,Phosphodiesterase,"Protein Kinase","Phosphodiesterase 3","TK protein kinase group","CMGC protein kinase group","STE protein kinase group","Phosphodiesterase 3A","Tyrosine pr
otein kinase Met family","CMGC protein kinase DYRK family","STE protein kinase STE11 family","CMGC protein kinase MAPK family","Tyrosine protein kinase Abl family","CMGC protein kinase Dyrk1 subfamily
","CMGC protein kinase JNK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","Lipid modifying kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile
 11","Sterile 20 kinases","TK: Tyrosine kinase","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family
","STE20 family","Mitogen-activated protein kinases (MAP kinases)","Receptor tyrosine kinases (RTKs)","Dyrk1 subfamily","STE20 subfamily","JNK subfamily","Non-receptor tyrosine kinases (nRTKs)","Type 
X RTKs: HGF (hepatocyte growth factor) receptor family","Abl family"}

> <pathway_reactome>
{"Developmental Biology","Gene expression (Transcription)","Cell Cycle","Immune System",Disease,"Nervous system development","RNA Polymerase II Transcription",Mitotic,"Innate Immune System","Infectiou
s disease","Axon guidance","Generic Transcription Pathway","Mitotic G1 phase and G1/S transition","Toll-like Receptor Cascades","Leishmania infection","Semaphorin interactions","Transcriptional Regula
tion by TP53","G0 and Early G1","Toll Like Receptor 5 (TLR5) Cascade","Parasite infection","Sema4D in semaphorin signaling","Regulation of TP53 Activity","MyD88 cascade initiated on plasma membrane","
Leishmania phagocytosis","Sema4D mediated inhibition of cell attachment and migration","Regulation of TP53 Activity through Acetylation","MAP kinase activation","FCGR3A-mediated phagocytosis","PI5P Re
gulates TP53 Acetylation","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{MET}

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

> <synonyms>
{GX52,SGX-523,SGX523,FT-0697187,FT0697187,SW219713-1,SW2197131,X7475,EC-000.2355,EC000.2355,W-5657,W5657,J-518184,J518184,BRD-K19477839-001-01-9,BRDK19477839001019,Q27088796,"Met Kinase Inhibitor VI, 
SGX523 - CAS 1022150-57-7","Met Kinase Inhibitor VI, SGX523  CAS 1022150577",1022150-57-7,1022150577,"SGX 523",UNII-WH8SQN09KJ,UNIIWH8SQN09KJ,WH8SQN09KJ,CHEMBL1236107,CHEBI:90624,C18H13N7S,BDBM,T2293,
S1112}

> <pdid>
PD003219

> <targets>
{c-Met}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{24779724}

$$$$
Broad_2021
  SciTegic11012413022D

 28 30  0  0  1  0            999 V2000
    5.1937   -3.0093    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0  1  0  0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1875    2.6385    0.0000 C   0  0
   -4.6545    2.9516    0.0000 F   0  0
   -2.1832    3.7527    0.0000 F   0  0
   -3.6501    4.0654    0.0000 F   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4886   -5.2610    0.0000 C   0  0
    7.7876   -6.0110    0.0000 C   0  0
    9.0866   -5.2610    0.0000 F   0  0
    7.7875   -7.5110    0.0000 C   0  0
    9.0866   -8.2610    0.0000 F   0  0
    6.4885   -8.2610    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    3.8904   -8.2609    0.0000 F   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
  2 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 20  1  0
 27 28  1  0
M  END
> <name>
Broad_2021

> <id>
33838

> <plate>
Plate_1

> <well>
B22

> <supplier_cmpd_name>
Sitagliptin

> <ctcr_id>
1051

> <supplier_cmpd_id>
Sitagliptin

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

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

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

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

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

> <broad_targets>
{DPP4}

> <broad_moa>
{"dipeptidyl peptidase inhibitor"}

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

> <pdid>
PD003506

> <targets>
{}

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

> <pubchem_cids>
{4369359}

$$$$
Broad_2021
  SciTegic11012413022D

 35 39  0  0  1  0            999 V2000
   12.5511   -3.4085    0.0000 C   0  0
   11.1261   -3.8768    0.0000 N   0  0
   10.3809   -3.2100    0.0000 C   0  0
   10.8181   -5.3457    0.0000 C   0  0
    9.3923   -5.8143    0.0000 C   0  0  1  0  0  0
    8.2760   -4.8112    0.0000 N   0  0
    8.5856   -3.3427    0.0000 C   0  0
    9.5362   -3.0324    0.0000 O   0  0
    7.4711   -2.3413    0.0000 N   0  0
    6.0049   -2.6577    0.0000 C   0  0
    5.2509   -1.3610    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 S   0  0
    0.0000   -1.5000    0.0000 C   0  0
    4.0324    0.7357    0.0000 N   0  0
    5.4987    1.0521    0.0000 N   0  0
    6.2511   -0.2432    0.0000 C   0  0
    7.6233   -0.8490    0.0000 C   0  0
    7.5962    0.6507    0.0000 C   0  0
    8.9134   -1.6142    0.0000 C   0  0
    9.0827   -7.2829    0.0000 C   0  0
   10.1970   -8.2871    0.0000 C   0  0
    9.8846   -9.7542    0.0000 C   0  0
    8.4578  -10.2172    0.0000 C   0  0
    7.3435   -9.2130    0.0000 C   0  0
    7.6559   -7.7459    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  5  4  1  6
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 14  1  0
 23 19  2  0
 12 24  2  0
 24 25  1  0
 25 26  1  0
 26 11  2  0
 26 27  1  0
 27  9  1  0
 27 28  1  0
 27 29  1  0
  5 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>
Broad_2021

> <id>
33839

> <plate>
Plate_1

> <well>
C22

> <supplier_cmpd_name>
PF 3758309 dihydrochloride

> <ctcr_id>
8285

> <supplier_cmpd_id>
PF 3758309 dihydrochloride

> <smiles>
CN(C)C[C@@H](NC(=O)N1Cc2c(Nc3nc(C)nc4ccsc34)n[nH]c2C1(C)C)c5ccccc5

> <pd_targets>
{PAK4,PAK5,PAK1,PAK2,PAK3,PAK6}

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

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","STE20 family","PAKB subfamily","PAKA subfamily"}

> <pathway_reactome>
{"Developmental Biology",Disease,"Nervous system development","Infectious disease","Axon guidance","HIV Infection","Signaling by ROBO receptors","EPH-Ephrin signaling","Host Interactions of HIV factor
s","Activation of RAC1","EPHB-mediated forward signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Ephrin signaling","Nef and signal transduction"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{PF3758309,"PF 3758309",898044-15-0,898044150,"898044 15 0",PF-03758309,PF03758309,"PF 03758309",UNII-PK459EA5I2,UNIIPK459EA5I2,"UNII PK459EA5I2",PK459EA5I2,CHEMBL3128043,"898044-15-0 (free base)","89
8044150 (free base)","898044 15 0 (free bas",S7094,PF-3758309,"PF 3758309 dihydrochloride"}

> <pdid>
PD003674

> <targets>
{PAK,Apoptosis}

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

> <pubchem_cids>
{25227462}

$$$$
Broad_2021
  SciTegic11012413022D

 39 43  0  0  0  0            999 V2000
    6.4451   -1.8434    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6017    2.9971    0.0000 O   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6061    6.0003    0.0000 C   0  0
   -2.6061    7.5003    0.0000 C   0  0
   -1.3071    8.2503    0.0000 C   0  0
   -1.3071    9.7503    0.0000 C   0  0
   -0.0080    7.5003    0.0000 C   0  0
    1.2933    8.2481    0.0000 N   0  0
    2.5920    7.4959    0.0000 C   0  0
    3.8936    8.2414    0.0000 N   0  0
    5.1901    7.4869    0.0000 C   0  0
    5.1849    5.9869    0.0000 C   0  0
    3.8833    5.2414    0.0000 C   0  0
    2.5869    5.9958    0.0000 N   0  0
    3.8782    3.7406    0.0000 C   0  0
    5.1735    2.9840    0.0000 C   0  0
    5.1659    1.4840    0.0000 C   0  0
    3.8632    0.7406    0.0000 C   0  0
    2.5679    1.4971    0.0000 N   0  0
    2.5754    2.9971    0.0000 C   0  0
   -0.0080    6.0003    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 C   0  0
   -3.8983   -0.7513    0.0000 F   0  0
   -2.5983   -3.0004    0.0000 F   0  0
   -3.8975   -2.2510    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 18 32  2  0
 32 13  1  0
  9 33  2  0
 33 34  1  0
 34 35  2  0
 35  7  1  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 36 39  1  0
M  END
> <name>
Broad_2021

> <id>
33840

> <plate>
Plate_1

> <well>
D22

> <supplier_cmpd_name>
Nilotinib

> <ctcr_id>
1905

> <supplier_cmpd_id>
Nilotinib

> <smiles>
Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)cc(c2)C(F)(F)F

> <pd_targets>
{ZAP70,DDR2,HCK,KCNH2,CA3,CA13,ABL1,BCR,STK10,NTRK2,MAPK10,RAF1,FGFR2,EPHB1,KIT,ABL2,EPHA3,TEK,CLK1,CSK,EPHA2,MAP3K20,SRC,PDGFRA,BLK,MAPK14,MAPK9,LYN,EPHB4,EPHA8,CLK4,BRAF,CA5A,CA4,JAK2,FLT3,DDR1,MAP2
K5,CA1,CA5B,CA2,CA9,CDC42BPB,FGR,PIP4K2C,MAP4K1,CSF1R,NTRK3,EPHA5,CDPK1,MAPK8,MAPK11,EPHB6,TIE1,RET,EPHA1,EPHA6,TAOK3,EPHB3,LCK,YES1,CA12,CA14,NQO2,TAOK1,CA6,MET,PDGFRB,EPHA4,FRK,CA7,CA15,EPHB2,TNNI3K
,MST1R,INSR,FYN,BMX,TYK2,FGFR1,CACNA1C,CACNA1D,CACNA1F,CACNA1S}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Unclassified protein",Kinase,"Voltage-gated ion channel",Lyase,Transferase,Oxidoreductase,"Protein Kinase","Potassium channels","Voltage-gated calcium channel","TK protein kinas
e group","Voltage-gated potassium channel","Atypical protein kinase group","STE protein kinase group","CMGC protein kinase group","TKL protein kinase group","AGC protein kinase group","Tyrosine protei
n kinase Syk family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Src family","Tyrosine protein kinase Abl family","Atypical protein kinase BCR family","STE protein kinase STE20 famil
y","Tyrosine protein kinase Trk family","CMGC protein kinase MAPK family","TKL protein kinase RAF family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase Eph family","Tyrosine protein k
inase PDGFR family","Tyrosine protein kinase Tie family","CMGC protein kinase CLK family","Tyrosine protein kinase Csk family","TKL protein kinase MLK family","Tyrosine protein kinase JakA family","ST
E protein kinase STE7 family","AGC protein kinase DMPK family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Met family","Tyrosine protein kinase InsR family","Tyrosine protein kinase 
Tec family","STE protein kinase SLK subfamily","CMGC protein kinase JNK subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase p38 subfamily","AGC protein kinase GEK subfamily","STE protei
n kinase KHS subfamily","STE protein kinase TAO subfamily","TKL protein kinase HH498 subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"Catalytic receptors","Voltage-gated ion channels","Carbonic anhydrases","Kinases (EC 2.7.x.x)","Receptor kinases","Potassium channels","STE: Homologs of yeast Steril
e 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","Lipid modifying kinases","TK: Tyrosine kinase","Voltage-gated potassium
 channels","STE20 family","Mitogen-activated protein kinases (MAP kinases)","TKL: Tyrosine kinase-like","CLK family","STE7 family","DMPK family","Type II PIP kinases (1-phosphatidylinositol-5-phosphat
e 4-kinase family)","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","SLK subfamily","JNK subfamily","RAF family","Mixed Lineage Kinase (MLK) family","p38 subfamily","GEK sub
family","KHS subfamily","TAO subfamily","Syk family","Type XVI RTKs: DDR (collagen receptor) family","Src family","Abl family","Type VII RTKs: Neurotrophin receptor/Trk family","Type V RTKs: FGF (fibr
oblast growth factor) receptor family","Type XIII RTKs: Ephrin receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Csk family
","MLK subfamily","Janus kinase (JakA) family","Type XIV RTKs: RET","Type X RTKs: HGF (hepatocyte growth factor) receptor family","HH498 subfamily","Type II RTKs: Insulin receptor family","Tec family"
}

> <pathway_reactome>
{"Immune System","Extracellular matrix organization",Disease,"Muscle contraction",Metabolism,"Signal Transduction","Developmental Biology","Gene expression (Transcription)","Transport of small molecul
es","Cell Cycle","Cellular responses to external stimuli","Adaptive Immune System","Non-integrin membrane-ECM interactions","Infectious disease","Cardiac conduction","Reversible hydration of carbon di
oxide","Innate Immune System","Signaling by Receptor Tyrosine Kinases","MAPK family signaling cascades","Diseases of signal transduction by growth factor receptors and second messengers","Nervous syst
em development","RNA Polymerase II Transcription","O2/CO2 exchange in erythrocytes",Mitotic,"Cytokine Signaling in Immune system","Cellular responses to stress","Biological oxidations","Intracellular 
signaling by second messengers","Metabolism of lipids","TCR signaling","HIV Infection","Phase 3 - rapid repolarisation","Leishmania infection","Neutrophil degranulation","Signaling by NTRKs","Toll-lik
e Receptor Cascades","MAPK1/MAPK3 signaling","Signaling by FGFR in disease","Axon guidance","Signaling by KIT in disease","Oncogenic MAPK signaling","Signaling by PDGFR in disease","Generic Transcript
ion Pathway","Erythrocytes take up carbon dioxide and release oxygen","Mitotic G1 phase and G1/S transition","Signaling by Insulin receptor","Signaling by Interleukins","Cellular response to hypoxia",
"Phase I - Functionalization of compounds","M Phase","PIP3 activates AKT signaling","Signaling by MST1","Phospholipid metabolism","Interferon Signaling","Generation of second messenger molecules","Hos
t Interactions of HIV factors","Parasite infection","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","RAF/MAP kinase cascade","Signaling by FGFR2 in disease","EPH-Ephrin signaling","D
rug resistance of KIT mutants","Signaling by ROBO receptors","Signaling by RAS mutants","Drug resistance of PDGFR mutants","Transcriptional regulation by RUNX1","Leishmania parasite growth and surviva
l","G1 Phase","Insulin receptor signalling cascade","Interleukin-12 family signaling","Regulation of gene expression by Hypoxia-inducible Factor","Transcriptional Regulation by TP53","Transcriptional 
Regulation by VENTX","Signaling by NTRK3 (TRKC)","RET signaling","Mitotic Metaphase and Anaphase","Semaphorin interactions","Negative regulation of the PI3K/AKT network","PTEN Regulation","PI Metaboli
sm","Interferon alpha/beta signaling","Signaling by FGFR1 in disease","The role of Nef in HIV-1 replication and disease pathogenesis","Leishmania phagocytosis","Activation of TRKA receptors","MyD88 ca
scade initiated on plasma membrane","Negative regulation of MAPK pathway","FGFR2 mutant receptor activation","EPHB-mediated forward signaling","Dasatinib-resistant KIT mutants","Role of ABL in ROBO-SL
IT signaling","EPHA-mediated growth cone collapse","Signaling downstream of RAS mutants","Signalling to ERKs","Imatinib-resistant PDGFR mutants","RUNX1 regulates transcription of genes involved in BCR
 signaling","Anti-inflammatory response favouring Leishmania parasite infection","Cyclin D associated events in G1","IRS-mediated signalling","Signalling to ERK5","Interleukin-12 signaling","Regulatio
n of TP53 Activity","Activated NTRK3 signals through PI3K","Mitotic Anaphase","Sema4D in semaphorin signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Regulation of PTEN stability and activi
ty","Synthesis of PIPs at the plasma membrane","Regulation of IFNA signaling","FGFR1 mutant receptor activation","Nef and signal transduction","FCGR3A-mediated phagocytosis","NGF-independant TRKA acti
vation","MAP kinase activation","Negative feedback regulation of MAPK pathway","Activated point mutants of FGFR2","Signalling to RAS","FCGR3A-mediated IL10 synthesis","Prolonged ERK activation events"
,"PI3K Cascade","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Regulation of TP53 Activity through Acetylation","Nef-mediates down modulation of cell surface rec
eptors by recruiting them to clathrin adapters","Separation of Sister Chromatids","Sema4D mediated inhibition of cell attachment and migration","Signaling by activated point mutants of FGFR1","MAPK ta
rgets/ Nuclear events mediated by MAP kinases","p38MAPK events","ARMS-mediated activation","PI5P Regulates TP53 Acetylation","Nef Mediated CD4 Down-regulation","Activation of the AP-1 family of transc
ription factors"}

> <broad_targets>
{ABL1,KIT}

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

> <synonyms>
{Nilotinib,641571-10-0,641571100,Tasigna,AMN107,"AMN 107",AMN-107,Nilotinib(AMN-107),Nilotinib(AMN107),"Nilotinib (AMN-107)","Nilotinib (AMN107)","Nilotinib free base",UNII-F41401512X,UNIIF41401512X,C
HEMBL255863,C28H22F3N7O,CHEBI:52172,Nilotinib-d6,Nilotinibd6,"641571-10-0 (free base)","641571100 (free base)",MFCD09833716,NSC747599,F41401512X,T1524,747599,S1033,"NSC 747599",nilotinib,NILOTINIB}

> <pdid>
PD003312

> <targets>
{Src-bcr-Abl,BCR-ABL,SRC}

> <classes>
{"BCR-ABL/c-kit/PDGF inhibitor"}

> <pubchem_cids>
{644241}

$$$$
Broad_2021
  SciTegic11012413022D

 30 33  0  0  1  0            999 V2000
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0  1  0  0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2121    3.8625    0.0000 C   0  0
    0.7463    5.2884    0.0000 N   0  0
   -0.7537    5.2860    0.0000 N   0  0
   -1.2149    3.8587    0.0000 C   0  0
   -1.6377    6.4987    0.0000 C   0  0
   -1.1355    7.9069    0.0000 C   0  0
   -2.1078    9.0491    0.0000 C   0  0
   -3.5831    8.7781    0.0000 N   0  0
   -4.0862    7.3650    0.0000 C   0  0
   -3.1139    6.2228    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2056   -2.9933    0.0000 C   0  0
    3.9091   -3.7478    0.0000 Cl  0  0
    6.5072   -3.7388    0.0000 C   0  0
    7.8036   -2.9844    0.0000 C   0  0
    7.7985   -1.4844    0.0000 C   0  0
    9.0949   -0.7299    0.0000 F   0  0
    6.4969   -0.7388    0.0000 C   0  0
    6.4918    0.7612    0.0000 Cl  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 11  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
  2 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 22  1  0
 29 30  1  0
M  END
> <name>
Broad_2021

> <id>
33841

> <plate>
Plate_1

> <well>
E22

> <supplier_cmpd_name>
Crizotinib

> <ctcr_id>
6370

> <supplier_cmpd_id>
Crizotinib

> <smiles>
C[C@@H](Oc1cc(cnc1N)c2cnn(c2)C3CCNCC3)c4c(Cl)ccc(F)c4Cl

> <pd_targets>
{STK4,MAP3K12,MAP2K3,ROS1,TYK2,AURKA,FLT3,EPHA7,EPHB1,EPHB6,MAP4K2,RPS6KB1,RET,INSR,EGFR,LIMK2,CAMKK2,MAP4K5,ULK2,MET,ALK,AXL,ABL1,STK35,NEK7,NIM1K,PTK2B,INPPL1,MLKL,NTRK1,CDK11B,HIPK4,ANKK1,GRK4,ZAP7
0,DDR1,MAPK7,TXK,CDKL2,FLT1,DYRK2,RIOK3,FGFR3,AURKB,SBK1,BMPR1B,BLK,ABL2,JAK3,KIT,TNK2,MINK1,MAP4K1,MAP3K13,DCLK1,EPHA1,INSRR,SIK2,IRAK4,TAOK1,CDK11A,MAP3K19,RIPK4,RIOK1,RIPK3,MAP4K3,RIPK1,EPHA2,FRK,M
AP3K3,SYK,ULK1,CASK,ACVR1B,DMPK,EPHA4,TGFBR1,CSF1R,EPHB4,AURKC,DCLK2,FER,ITK,PRKD3,IRAK3,SRPK3,TAOK3,STK26,MST1R,TEK,NTRK2,COQ8B,NUAK2,DSTYK,FGR,IGF1R,MAP3K15,ACVR1,PIP5K1A,IKBKB,JAK2,MUSK,STK10,TESK1
,MAP3K2,IKBKE,PLK4,SLK,BMP2K,JAK1,LYN,EIF2AK2,SRPK1,RIPK2,LCK,MAP3K7,LTK,SBK3,TYRO3,FYN,SRC,MERTK,ULK3,EPHA3,STK3,AAK1,EPHA8,PTK2,EPHA5,FES,LIMK1,TNK1,BMX,CDK7,PRKD1,IRAK1,ROCK2,TIE1,MAP3K1,TNNI3K,TAO
K2,BTK,NTRK3,PRKAA1,EPHA6,ROCK1,YES1,TBK1,NEK9,EML4,NPM1,NUDT1,CDK5,PRKD2,LRRK2,MARK3,PKN2,FLT4,KDR,CDK2,MAP3K20,FGFR1,TSSK2,PHKG2,CDK1,NEK4,MARK2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","STE protein kinase group","TK protein kinase group","Other protein kinase group","AGC protein kinase group","TKL protein kinase group","CAMK pro
tein kinase group","CMGC protein kinase group","Atypical protein kinase group","STE protein kinase STE20 family","STE protein kinase STE7 family","Tyrosine protein kinase Sev family","Tyrosine protein
 kinase JakA family","Other protein kinase AUR family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Eph family","AGC protein kinase RSK family","Tyrosine protein kinase Ret family",
"Tyrosine protein kinase InsR family","Tyrosine protein kinase EGFR family","TKL protein kinase LISK family","Other protein kinase CAMKK family","Other protein kinase ULK family","Tyrosine protein kin
ase Met family","TKL protein kinase STKR family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Abl family","Other protein kinase NKF4 family","Other protein kinase NEK family","CAMK pr
otein kinase CAMK1 family","Tyrosine protein kinase Fak family","Tyrosine protein kinase Trk family","CMGC protein kinase CDK family","CMGC protein kinase DYRK family","TKL protein kinase RIPK family"
,"AGC protein kinase GRK family","Tyrosine protein kinase Syk family","Tyrosine protein kinase DDR family","CMGC protein kinase MAPK family","Tyrosine protein kinase Tec family","CMGC protein kinase C
DKL family","Tyrosine protein kinase VEGFR family","Atypical protein kinase RIO family","Tyrosine protein kinase FGFR family","Other protein kinase NKF1 family","Tyrosine protein kinase Src family","T
yrosine protein kinase Ack family","TKL protein kinase MLK family","CAMK protein kinase DCAMK1 family","TKL protein kinase IRAK family","STE protein kinase STE11 family","AGC protein kinase DMPK famil
y","Tyrosine protein kinase Fer family","CAMK protein kinase PKD family","CMGC protein kinase SRPK family","Tyrosine protein kinase Tie family","Atypical protein kinase ABC1 family","Other protein kin
ase IKK family","Tyrosine protein kinase Musk family","Other protein kinase PLK family","Other protein kinase NAK family","Other protein kinase PEK family","Tyrosine protein kinase Alk family","STE pr
otein kinase MST subfamily","STE protein kinase KHS subfamily","AGC protein kinase p70 subfamily","TKL protein kinase LIMK subfamily","Other protein kinase Meta subfamily","TKL protein kinase STKR Typ
e 1 subfamily","CAMK protein kinase NIM1 subfamily","CMGC protein kinase PITSLRE subfamily","CMGC protein kinase HIPK subfamily","AGC protein kinase GRK subfamily","CMGC protein kinase ERK5","CMGC pro
tein kinase Dyrk2 subfamily","Atypical protein kinase RIO3 subfamily","STE protein kinase MSN subfamily","TKL protein kinase LZK subfamily","CAMK protein kinase QIK subfamily","STE protein kinase TAO 
subfamily","Atypical protein kinase RIO1 subfamily","STE protein kinase MEKK2","AGC protein kinase GEK subfamily","STE protein kinase YSK subfamily","Atypical protein kinase ABC1-A subfamily","CAMK pr
otein kinase NuaK subfamily","STE protein kinase ASK","TKL protein kinase STKR1","STE protein kinase SLK subfamily","TKL protein kinase TESK subfamily","Other protein kinase PKR","TKL protein kinase T
AK1 subfamily","Tyrosine protein kinase SrcA","CMGC protein kinase CDK7 subfamily","AGC protein kinase ROCK subfamily","TKL protein kinase HH498 subfamily","CAMK protein kinase AMPK subfamily",Hydrola
se,"TKL protein kinase LRRK family","AGC protein kinase PKN family","CAMK protein kinase TSSK family","CAMK protein kinase PHk family","CMGC protein kinase CDK5 subfamily","CAMK protein kinase MARK su
bfamily","CMGC protein kinase CDC2 subfamily","TKL protein kinase MLK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Inositol phosphate turnover","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Receptor kinases","AGC: Containing P
KA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","Inositol polyphosphate phosphatases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Atypical,"Lipid modifying kinases","ST
E20 family","TKL: Tyrosine kinase-like","STE7 family","TK: Tyrosine kinase","Other protein kinases","RSK family","CAMK-like (CAMKL) family","Cyclin-dependent kinase (CDK) family","Dual-specificity tyr
osine-(Y)-phosphorylation regulated kinase (DYRK) family","G protein-coupled receptor kinases (GRKs)","Mitogen-activated protein kinases (MAP kinases)","Cyclin-dependent kinase-like (CDKL) family","RI
O family","DCAMKL family","STE11 family","CASK family","DMPK family","Protein kinase D (PKD) family","SRPK family","ABC1 family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family
)","MST subfamily","Mixed Lineage Kinase (MLK) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Aurora kinase (Aur) family","KHS subfamily","p70 subfamily","LIM doma
in kinase (LISK) family","CAMKK family","Unc-51-like kinase (ULK) family","NKF4 family","NIMA (never in mitosis gene a)- related kinase (NEK) family","NIM1 subfamily","TKL-unique family","PITSLRE subf
amily","HIPK subfamily","Receptor interacting protein kinase (RIPK) family","GRK4 subfamily","ERK subfamily","Dyrk2 subfamily","RIO3 subfamily","NKF1 family","Receptor serine/threonine kinase (RSTK) f
amily","MSN subfamily","QIK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","TAO subfamily","STE20 subfamily","RIO1 subfamily","GEK subfamily","YSK subfamily","ABC1-B subfamily","N
uaK subfamily","Other-unique family","IKK family","SLK subfamily","Polo-like kinase (PLK) family","Numb-associated kinase (NAK) family","PEK family","NAK family","CDK7 subfamily","Rho kinase","AMPK su
bfamily","LZK subfamily","Type XVII RTKs: ROS receptors","Janus kinase (JakA) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIII RTKs: Ephrin receptor family","Type XIV RTKs: RE
T","Type II RTKs: Insulin receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","LIMK subfamily","Meta subfamily","Type X RTKs: HGF (hepatocyte growth factor) receptor family"
,"Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Abl family","Fak family","Type VII RTKs: Neurotrophin receptor/Trk fam
ily","Syk family","Type XVI RTKs: DDR (collagen receptor) family","Tec family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type V RTKs: FGF (fibroblast growth factor) re
ceptor family","Type I receptor serine/threonine kinases","Src family","Ack family","Fer family","Type XII RTKs: TIE family of angiopoietin receptors","Type IX RTKs: MuSK","TESK subfamily","Other PEK 
family kinases","TAK1 subfamily","HH498 subfamily","Protein kinase N (PKN) family","Testis specific kinase (TSSK) family","Phosphorylase kinase (PHK) family","CDK5 subfamily","Leucine-rich repeat kina
se (LRRK) family","MARK subfamily","CDK1 subfamily","MLK subfamily"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Gene expression (Transcription)","Developmental Biology","Neuronal System",Disease,"Cell Cycle","Programmed Cell Death","Extracellular matrix organization","Met
abolism of RNA","Cellular responses to external stimuli",Autophagy,"Muscle contraction",Metabolism,"Cell-Cell communication",Hemostasis,"Vesicle-mediated transport","Signaling by Hippo","Innate Immune
 System","Cytokine Signaling in Immune system","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Nervous system development","MTOR signalling","Intracellular signaling by sec
ond messengers","Signaling by GPCR","Transmission across Chemical Synapses","Infectious disease",Mitotic,"Regulated Necrosis","Adaptive Immune System","Non-integrin membrane-ECM interactions","rRNA pr
ocessing","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by TGFB family members","Cellular responses to stress",Macroautophagy,"Signaling by NODAL","Card
iac conduction","Metabolism of lipids",Apoptosis,"MAPK family signaling cascades","ECM proteoglycans","Cell junction organization","Cell surface interactions at the vascular wall","Signaling by Hedgeh
og","Membrane Trafficking","Toll-like Receptor Cascades","Interferon Signaling","Generic Transcription Pathway","Signaling by Insulin receptor","Axon guidance","mTORC1-mediated signalling","PIP3 activ
ates AKT signaling","GPCR downstream signalling","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by VEGF","Leishmania infection","M Phase","Signaling by Interleukins","RIP
K1-mediated regulated necrosis","Signaling by NTRKs","Mitotic G2-G2/M phases","TCR signaling","Fc epsilon receptor (FCERI) signaling","rRNA processing in the nucleus and cytosol","Signaling by FGFR in
 disease","Signaling by BMP","Signaling by KIT in disease","Cellular Senescence","Selective autophagy","Regulation of signaling by NODAL","Ion homeostasis","Signaling by TGF-beta Receptor Complex in C
ancer","Signaling by SCF-KIT","Sphingolipid metabolism","Apoptotic execution phase","Signaling by MST1","MAPK1/MAPK3 signaling","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Pho
spholipid metabolism","Mitotic G1 phase and G1/S transition","Neutrophil degranulation","Cell-extracellular matrix interactions","Influenza Infection","HIV Infection","Hedgehog 'on' state","Clathrin-m
ediated endocytosis","Toll Like Receptor 5 (TLR5) Cascade","Interferon alpha/beta signaling","Transcriptional Regulation by TP53","Insulin receptor signalling cascade","EPH-Ephrin signaling","RET sign
aling","Negative regulation of the PI3K/AKT network","G alpha (q) signalling events","Semaphorin interactions","Activation of NMDA receptors and postsynaptic events","VEGFA-VEGFR2 Pathway","Parasite i
nfection","Mitotic Prophase","Interleukin-2 family signaling",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Microbial modulation of RIPK1-mediated regulated necrosis","Signaling by NTRK1 (TRKA)"
,"G2/M Transition","G alpha (i) signalling events","Generation of second messenger molecules","FCERI mediated Ca+2 mobilization","VEGF ligand-receptor interactions","Major pathway of rRNA processing i
n the nucleolus and cytosol","Signaling by FGFR3 in disease","Mitotic Metaphase and Anaphase","Transcriptional regulation by RUNX1","Signaling by ROBO receptors","Drug resistance of KIT mutants","Oxid
ative Stress Induced Senescence","Toll Like Receptor 2 (TLR2) Cascade","Toll Like Receptor 4 (TLR4) Cascade","PTEN Regulation","Interleukin-1 family signaling","Leishmania parasite growth and survival
",Mitophagy,"Loss of Function of SMAD2/3 in Cancer","Transcriptional Regulation by VENTX","Sphingolipid de novo biosynthesis","Apoptotic cleavage of cellular proteins","RAF/MAP kinase cascade","IGF1R 
signaling cascade","PI Metabolism","G1 Phase","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","Antiviral mechanism by IFN-stimulated genes","NS1 Mediated Effects o
n Host Pathways","Host Interactions of HIV factors","Cargo recognition for clathrin-mediated endocytosis","HIV Life Cycle","Signaling by NTRK3 (TRKC)","MyD88 cascade initiated on plasma membrane","Reg
ulation of IFNA signaling","Regulation of TP53 Activity","IRS-mediated signalling","EPHA-mediated growth cone collapse","EPHB-mediated forward signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signalin
g","Gastrin-CREB signalling pathway via PKC and MAPK","Sema4D in semaphorin signaling","Post NMDA receptor activation events","Leishmania phagocytosis","Nuclear Envelope Breakdown","Interleukin-2 sign
aling","Interleukin receptor SHC signaling","Signalling to ERKs","Centrosome maturation","Visual phototransduction","VEGF binds to VEGFR leading to receptor dimerization","Signaling by FGFR3 point mut
ants in cancer","Mitotic Anaphase","RUNX1 regulates transcription of genes involved in BCR signaling","Role of ABL in ROBO-SLIT signaling","Interleukin-15 signaling","Dasatinib-resistant KIT mutants",
"Toll Like Receptor TLR6:TLR2 Cascade","MyD88-independent TLR4 cascade","Regulation of PTEN stability and activity","Interleukin-1 signaling","Anti-inflammatory response favouring Leishmania parasite 
infection","Receptor Mediated Mitophagy","Assembly and cell surface presentation of NMDA receptors","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Activation of TRKA receptors","IRS-related events
 triggered by IGF1R","Synthesis of PIPs at the plasma membrane","Cyclin D associated events in G1","ISG15 antiviral mechanism","Inhibition of PKR","The role of Nef in HIV-1 replication and disease pat
hogenesis","CRMPs in Sema3A signaling","Late Phase of HIV Life Cycle","Activated NTRK3 signals through PI3K","MAP kinase activation","Regulation of TP53 Activity through Phosphorylation","PI3K Cascade
","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","Activation of AMPK downstream of NMDARs","Sema4D mediated inhibition of cell attachment and migration","FC
GR3A-mediated phagocytosis","Activation of NIMA Kinases NEK9",NEK6,NEK7,"Prolonged ERK activation events","Recruitment of mitotic centrosome proteins and complexes","The phototransduction cascade","FG
FR3 mutant receptor activation","Separation of Sister Chromatids","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","TRIF(TICAM1)-mediated TLR4 signaling","FCGR3A-mediated IL10 synthesis","NGF-i
ndependant TRKA activation","Loss of proteins required for interphase microtubule organization from the centrosome","Nef-mediates down modulation of cell surface receptors by recruiting them to clathr
in adapters","Nef and signal transduction","Signalling to RAS","Transcription of the HIV genome","activated TAK1 mediates p38 MAPK activation","ARMS-mediated activation",Inactivation,"recovery and reg
ulation of the phototransduction cascade","MAPK targets/ Nuclear events mediated by MAP kinases","Signaling by activated point mutants of FGFR3","IKK complex recruitment mediated by RIP1","Activation 
of IRF3/IRF7 mediated by TBK1/IKK epsilon","Loss of Nlp from mitotic centrosomes","Nef Mediated CD4 Down-regulation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","p38MAPK events","HI
V Transcription Elongation","ERK/MAPK targets","Tat-mediated elongation of the HIV-1 transcript","ERKs are inactivated","Formation of HIV-1 elongation complex containing HIV-1 Tat","Metabolism of nucl
eotides","Signaling by Non-Receptor Tyrosine Kinases","Signaling by Rho GTPases","Metabolism of carbohydrates","Nucleobase catabolism","Signaling by PTK6","Oncogenic MAPK signaling","RHO GTPase Effect
ors","Glycogen metabolism","Regulation of mitotic cell cycle","Purine catabolism","PTK6 promotes HIF1A stabilization","Signaling by RAS mutants","RHO GTPases activate PKNs","Signaling by FGFR1 in dise
ase","Glycogen breakdown (glycogenolysis)","APC/C-mediated degradation of cell cycle proteins","Phosphate bond hydrolysis by NUDT proteins","Signaling downstream of RAS mutants","VEGFR2 mediated cell 
proliferation","FGFR1 mutant receptor activation","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Expression and Degradation","Signaling by activated
 point mutants of FGFR1","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Degradation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell
 cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{NUDT1}

> <broad_moa>
{"MTH1 inhibitor"}

> <synonyms>
{F234106,Crizotinib,877399-52-5,877399525,Xalkori,PF-02341066,PF02341066,(R)-crizotinib,(R)crizotinib,PF-2341066,PF2341066,"PF 2341066","Crizotinib (PF-02341066)","Crizotinib (PF02341066)","PF 0234106
6",UNII-53AH36668S,UNII53AH36668S,CHEMBL601719,"Crizotinib (PF-2341066)","Crizotinib (PF2341066)",CHEBI:64310,"877399-52-5 (free base)","877399525 (free base)",53AH36668S,Xalkor,T1661,T6357,S1068,(S)-
crizotinib,crizotinib}

> <pdid>
PD003326

> <targets>
{c-Met,c-MET}

> <classes>
{}

> <pubchem_cids>
{11626560}

$$$$
Broad_2021
  SciTegic11012413022D

 29 31  0  0  0  0            999 V2000
   -2.6767   -8.3976    0.0000 C   0  0
   -1.2399   -8.8283    0.0000 C   0  0
   -0.7438  -10.2439    0.0000 C   0  0
    0.7558  -10.2095    0.0000 C   0  0
    1.1659   -8.7799    0.0000 C   0  0
   -0.0469   -7.9190    0.0000 N   0  0
    2.5812   -8.2806    0.0000 C   0  0
    2.8570   -6.8080    0.0000 C   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
    5.5290   -6.8737    0.0000 O   0  0
    6.8067   -6.0878    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
   11.9067   -5.6984    0.0000 O   0  0
   10.6074   -6.4488    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  2  1  0
  5  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 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 14  1  0
 19 20  2  3
 20 12  1  0
 11 21  1  0
 21  8  1  0
  9 22  1  0
 22 23  1  0
  4 24  1  0
 25 26  1  0
 26 27  2  0
 26 28  2  0
 26 29  1  0
M  END
> <name>
Broad_2021

> <id>
33842

> <plate>
Plate_1

> <well>
F22

> <supplier_cmpd_name>
Obatoclax (Mesylate)

> <ctcr_id>
7083

> <supplier_cmpd_id>
Obatoclax (Mesylate)

> <smiles>
CC1=CC(=C(N1)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C.CS(=O)(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"BATOCLAX MESYLATE (GX15070",EX-A333,EXA333,"Obatoclax mesylate",803712-79-0,803712790,"Obatoclax (Mesylate)","Obatoclax mesilate","Obatoclax mesylate (GX15-070)","Obatoclax mesylate (GX15070)",UNII-
39200FJ43J,UNII39200FJ43J,GX15-070MS,GX15070MS,39200FJ43J,"Obatoclax Mesylate/GX15-070","Obatoclax Mesylate/GX15070",CHEMBL2107358,AOB6156,GX-15-070MS,ABP0,T6275,S1057,"Obatoclax Mesylate","Obatoclax 
Mesylate (GX15-070)"}

> <pdid>
PD030207

> <targets>
{Bcl-2}

> <classes>
{}

> <pubchem_cids>
{16681698}

$$$$
Broad_2021
  SciTegic11012413022D

 17 16  0  0  0  0            999 V2000
    6.3933   -1.1297    0.0000 Cl  0  0
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    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
   -5.2029    2.9932    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
M  END
> <name>
Broad_2021

> <id>
33843

> <plate>
Plate_1

> <well>
G22

> <supplier_cmpd_name>
Procarbazine (Hydrochloride)

> <ctcr_id>
6590

> <supplier_cmpd_id>
Procarbazine (Hydrochloride)

> <smiles>
Cl.CNNCc1ccc(cc1)C(=O)NC(C)C

> <pd_targets>
{ALDH1A1,ALOX15,CYP1A2,CYP2C19,LMNA,MAOA,MAOB}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Oxidoreductase,"Cytochrome P450","Cytochrome P450 family 1","Cytochrome P450 family 2","Cytochrome P450 family 1A","Cytochrome P450 family 2C","Cytochrome P450 1A1","Cy
tochrome P450 2C19"}

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

> <pathway_reactome>
{Metabolism,"Cell Cycle","Biological oxidations","Metabolism of lipids",Mitotic,"Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Ethano
l oxidation","Biosynthesis of DPA-derived SPMs","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Mitotic Anaphase","Biosynthes
is of DPAn-3-derived protectins and resolvins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope 
(NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"monoamine oxidase inhibitor"}

> <synonyms>
{RESTW111,"Procarbazine hydrochloride",366-70-1,366701,"PROCARBAZINE HCl",Matulane,Nathulane,Natunalar,"MIH hydrochloride","PCB hydrochloride","Procarbazine (Hydrochloride)","Ibenzmethyzine hydrochlor
ide",Natulan,NSC-77213,NSC77213,UNII-XH0NPH5ZX8,UNIIXH0NPH5ZX8,NCI-C01810,NCIC01810,N-isoprop,Nisoprop,T1488,77213,S1995,SAM001246564,Prestw-1112,"NSC 77213","Procarbazine HCl",CPD000469151}

> <pdid>
PD001685

> <targets>
{}

> <classes>
{"Alkylating agent"}

> <pubchem_cids>
{9703,441273,74764326}

$$$$
Broad_2021
  SciTegic11012413022D

 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
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5536   -4.4230    0.0000 C   0  0
   -4.0444   -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
   -3.8489   -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
   -0.2065   -5.5489    0.0000 N   0  0
    0.6394   -6.7886    0.0000 C   0  0
    2.1361   -6.6769    0.0000 C   0  0  1  0  0  0
    2.7869   -5.3254    0.0000 O   0  0
    2.9820   -7.9166    0.0000 C   0  0
    4.4780   -7.8071    0.0000 C   0  0
    5.3209   -9.0479    0.0000 C   0  0
    4.6678  -10.3982    0.0000 C   0  0
    3.1718  -10.5078    0.0000 C   0  0
    2.5188  -11.8582    0.0000 Cl  0  0
    2.3289   -9.2671    0.0000 C   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  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
  8 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 11  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  1
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 26 28  2  0
 28 22  1  0
  4 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 29  1  0
M  END
> <name>
Broad_2021

> <id>
33844

> <plate>
Plate_1

> <well>
H22

> <supplier_cmpd_name>
BMS-536924

> <ctcr_id>
7612

> <supplier_cmpd_id>
BMS-536924

> <smiles>
Cc1cc(cc2[nH]c(nc12)c3c(O)nccc3NC[C@@H](O)c4cccc(Cl)c4)N5CCOCC5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MS53692,BMS-536924,BMS536924,468740-43-4,468740434,"BMS 536924",UNII-40E3AZG1MX,UNII40E3AZG1MX,CHEMBL401930,40E3AZG1MX,CS-0117,CS0117,HY-10262,HY10262,cc-534,cc534,MLS006011171,SCHEMBL4132577,SCHEMBL
15974144,BDBM27879,CHEBI:91454,BCP02116,EX-A4566,EXA4566,ZINC6718468,2278AH,ABP000159,NSC761760,s1012,AKOS0,S1012}

> <pdid>

> <targets>
{IGF-1R}

> <classes>
{}

> <pubchem_cids>
{135440466}

$$$$
Broad_2021
  SciTegic11012413022D

 22 24  0  0  0  0            999 V2000
    1.6120   -3.9767    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2566    0.5871    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4437   -1.8466    0.0000 C   0  0
    7.0583   -0.4784    0.0000 O   0  0
    7.3222   -3.0635    0.0000 C   0  0
    8.8153   -2.9121    0.0000 N   0  0
    9.7955   -4.0306    0.0000 C   0  0
   11.1668   -3.4227    0.0000 C   0  0
   11.0124   -1.9307    0.0000 C   0  0
    9.5457   -1.6165    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
  4 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 18  1  0
M  END
> <name>
Broad_2021

> <id>
33845

> <plate>
Plate_1

> <well>
I22

> <supplier_cmpd_name>
IU1

> <ctcr_id>
4564

> <supplier_cmpd_id>
IU1

> <smiles>
Cc1cc(c(C)n1c2ccc(F)cc2)C(=O)CN3CCCC3

> <pd_targets>
{KDM4E,USP14,TGR}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Protease,"Lysine demethylase","Cysteine protease","Jumonji domain-containing","Cysteine protease CA clan","Cysteine protease C19 family"}

> <pathway_chembl>
{Enzymes,"Chromatin modifying enzymes","Peptidases and proteinases","1.14.11.- Histone demethylases","CA: Cysteine (C) Peptidases","C19: Ubiquitin-specific protease"}

> <pathway_reactome>
{"Metabolism of proteins","Post-translational protein modification",Deubiquitination,"Ub-specific processing proteases"}

> <broad_targets>
{USP14}

> <broad_moa>
{"ubiquitin C-terminal hydrolase inhibitor"}

> <synonyms>
{314245-33-5,314245335,IU1,IU-1,"1-(1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl)-2-pyrrolidin-1-ylethanone","1(1(4fluorophenyl)2,5dimethylpyrrol3yl)2pyrrolidin1ylethanone",CHEMBL1410015,MFCD01917473,"U
sp14 inhibitor",MLS001032847,GTPL8880,SCHEMBL6923146,ZINC38235,DTXSID80350196,HMS1726C11,HMS2742M13,HMS3653I09,HMS3743A07,AM,T6107,4088,S7134}

> <pdid>
PD003652

> <targets>
{Proteasome,DUB}

> <classes>
{Proteases}

> <pubchem_cids>
{675434}

$$$$
Broad_2021
  SciTegic11012413022D

 26 29  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    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
    1.2934    3.7495    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
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6061    6.0003    0.0000 C   0  0
   -2.6061    7.5003    0.0000 C   0  0
   -1.3071    8.2503    0.0000 C   0  0
   -0.0080    7.5003    0.0000 N   0  0
   -0.0080    6.0003    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  3 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  2  1  0
 18 13  1  0
 11 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
M  END
> <name>
Broad_2021

> <id>
33846

> <plate>
Plate_1

> <well>
J22

> <supplier_cmpd_name>
RAD51 Inhibitor B02

> <ctcr_id>
8241

> <supplier_cmpd_id>
RAD51 Inhibitor B02

> <smiles>
O=C1N(Cc2ccccc2)C(=Nc3ccccc13)/C=C/c4cccnc4

> <pd_targets>
{HKDC1,DNAB,RAD1,MAPT,L3MBTL1,RAD51,APEX1,RECA,ALDH1A1,CFTR,GOPC,CASP6,KDM4E,TDP1,EIF4G1,KMT2A,FFP}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other cytosolic protein","Epigenetic regulator","Ion channel",Transferase,Reader,Oxidoreductase,"Other ion channel",Protease,Eraser,Hydrolase,"Methyl-lysine/arginine bi
nding protein","Chloride channel","Cysteine protease","Lysine demethylase",Bromodomain,"MBT domain","Cystic fibrosis transmembrane conductance regulator","Cysteine protease CD clan","Jumonji domain-co
ntaining","Cysteine protease C14 family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","Chromatin modifying enzymes","CD: Cysteine (C) Peptidases","1.14.11.- Histone demethylases","2.1.1.43 Histone methyltransferases (HMTs)","C14: Caspase"}

> <pathway_reactome>
{"DNA Repair","Neuronal System","Gene expression (Transcription)",Metabolism,"Metabolism of proteins","DNA Double-Strand Break Repair","Transmission across Chemical Synapses","RNA Polymerase II Transc
ription","Base Excision Repair","Biological oxidations",Translation,"Homology Directed Repair","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Resolu
tion of Abasic Sites (AP sites)","Phase I - Functionalization of compounds","Nonhomologous End-Joining (NHEJ)","Eukaryotic Translation Initiation","HDR through Homologous Recombination (HRR) or Single
 Strand Annealing (SSA)","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation by TP53","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Eth
anol oxidation","Cap-dependent Translation Initiation","Transcriptional regulation by RUNX1","HDR through Homologous Recombination (HRR)","Post NMDA receptor activation events","Regulation of TP53 Act
ivity","PCNA-Dependent Long Patch Base Excision Repair","TP53 Regulates Transcription of Cell Death Genes","Activation of the mRNA upon binding of the cap-binding complex and eIFs","and subsequent bin
ding to 43S","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Homologous DNA Pairing and Strand Exchange","Activation of AMPK downstream of NMDARs","Regulation 
of TP53 Activity through Methylation","TP53 Regulates Transcription of Caspase Activators and Caspases","Translation initiation complex formation","Presynaptic phase of homologous DNA pairing and stra
nd exchange"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"RAD51 inhibitor B02",1290541-46-6,1290541466,(E)-3-Benzyl-2-(2-(pyridin-3-yl)vinyl)quinazolin-4(3H)-one,(E)3Benzyl2(2(pyridin3yl)vinyl)quinazolin4(3H)one,B02,MLS000709026,3-benzyl-2-((E)-2-pyridin-3
-ylethenyl)quinazolin-4-one,3benzyl2((E)2pyridin3ylethenyl)quinazolin4one,SMR000289793,3-Benzyl-2-((E)-2-(3-pyridinyl)ethenyl)-4(3H)-quinazol,3Benzyl2((E)2(3pyridinyl)ethenyl)4(3H)quinazol,T4656,1911}

> <pdid>
PD003539

> <targets>
{Apoptosis,RAD51}

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

> <pubchem_cids>
{5738263}

$$$$
Broad_2021
  SciTegic11012413022D

 17 17  0  0  0  0            999 V2000
    7.5993   -1.6061    0.0000 C   0  0
    8.4849   -2.8168    0.0000 N   0  0
    7.8797   -4.1902    0.0000 C   0  0
    8.7644   -5.4025    0.0000 N   0  0
   10.2567   -5.2435    0.0000 C   0  0
   11.7483   -5.0845    0.0000 N   0  0
    6.3873   -4.3492    0.0000 N   0  0
    5.5026   -3.1368    0.0000 C   0  0
    4.0102   -3.2959    0.0000 C   0  0
    3.1255   -2.0835    0.0000 S   0  0
    1.6332   -2.2426    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6317   -2.2458    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  3  0
  3  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 12  2  0
 16 17  1  0
M  END
> <name>
Broad_2021

> <id>
33847

> <plate>
Plate_1

> <well>
K22

> <supplier_cmpd_name>
Cimetidine

> <ctcr_id>
3832

> <supplier_cmpd_id>
Cimetidine

> <smiles>
CNC(NC#N)=NCCSCc1nc[nH]c1C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{cimetidine,51481-61-9,51481619,Tagamet,Eureceptor,Tametin,Dyspamet,Ulcedine,Acinil,Cimetag,Tratul,Ulcedin,Acibilin,Gastromet,Cimetum,Edalene,Ulcimet,Ulcomet,Cimal,Ulhys,"Tagamet Hb","Cimetidine Hcl",
"Tagamet Hb 200",SKF-92334,SKF92334,Cimetidina,Ulcomedina,Val,902,S1845,SAM002554892,1500684,Prestw-26,Cimetidine,Cimetidine,CPD001370748,CIMETIDINE}

> <pdid>

> <targets>
{""}

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

> <pubchem_cids>
{2756}

$$$$
Broad_2021
  SciTegic11012413022D

 30 31  0  0  0  0            999 V2000
    7.4673   -1.5143    0.0000 C   0  0
    8.3486   -2.7281    0.0000 C   0  0
    9.8404   -2.5713    0.0000 O   0  0
    7.7374   -4.0988    0.0000 N   0  0
    6.2473   -4.2555    0.0000 C   0  0
    5.4946   -5.5530    0.0000 N   0  0
    4.0281   -5.2381    0.0000 C   0  0
    2.9053   -6.2328    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.2459   -3.1387    0.0000 S   0  0
    2.5951   -3.0039    0.0000 S   0  0
    1.2948   -3.7516    0.0000 O   0  0
    1.2973   -2.2519    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.2638    1.8997    0.0000 C   0  0
   -3.7409    1.6387    0.0000 O   0  0
   -1.7513    3.3103    0.0000 C   0  0
   -2.7155    4.4594    0.0000 F   0  0
   -1.2385    4.7200    0.0000 F   0  0
   -0.2742    3.5713    0.0000 F   0  0
   -2.7886    0.4626    0.0000 C   0  0
   -4.2659    0.2028    0.0000 F   0  0
   -3.3025   -0.9466    0.0000 F   0  0
   -1.8253   -0.6873    0.0000 F   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  1  0
  7  9  2  0
  9 10  1  0
 10  5  1  0
  9 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 21 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
M  END
> <name>
Broad_2021

> <id>
33848

> <plate>
Plate_1

> <well>
L22

> <supplier_cmpd_name>
SR1001

> <ctcr_id>
8351

> <supplier_cmpd_id>
SR1001

> <smiles>
CC(=O)Nc1nc(C)c(s1)S(=O)(=O)Nc2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F

> <pd_targets>
{RORC,RORA}

> <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","Nuclear hormon
e receptor subfamily 1 group F member 1"}

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

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins","RNA Polymerase II Transcription","Post-translational protein modification","Generic Transcription Pathway",SUMOylation,"Transcriptional reg
ulation by RUNX3","SUMO E3 ligases SUMOylate target proteins","RUNX3 Regulates Immune Response and Cell Migration","SUMOylation of intracellular receptors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SR1001,1335106-03-0,1335106030,"SR 1001",SR-1001,CHEMBL3094388,SCHEMBL2489597,GTPL10143,AOB4020,C15H13F6N3O4S2,BCP09202,EX-A4866,EXA4866,4062AH,BDBM50444338,s6724,ZINC68268147,AKOS024458386,CS-3963,C
S3963,BS-14916,BS14916,HY-13421,HY13421,"SR1001, >=98 (HPLC)",A13193,SR-03000001001,SR03000001001,SR-0300,SR0300,T5163,4868}

> <pdid>
PD003646

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{44241473}

$$$$
Broad_2021
  SciTegic11012413022D

 30 33  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 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
   -9.0897    3.7657    0.0000 N   0  0
  -10.3910    3.0180    0.0000 C   0  0
  -10.3936    1.5180    0.0000 O   0  0
  -11.6897    3.7702    0.0000 N   0  0
  -12.9910    3.0224    0.0000 C   0  0
  -14.4118    3.0680    0.0000 C   0  0
  -13.6617    1.7690    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Cl  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 N   0  0
   -1.3032   -3.7490    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  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  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 19  1  0
 14 22  1  0
 22 23  1  0
 22 24  2  0
 24 11  1  0
  9 25  2  0
 25  5  1  0
 25 26  1  0
 26 27  2  0
 27  3  1  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
M  END
> <name>
Broad_2021

> <id>
33849

> <plate>
Plate_1

> <well>
M22

> <supplier_cmpd_name>
Lenvatinib

> <ctcr_id>
5913

> <supplier_cmpd_id>
Lenvatinib

> <smiles>
COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O

> <pd_targets>
{KDR,FLT1,FLT4,NCOA4,RET,CA5A,KIF5B,CCDC6,FGFR1,FGFR2,FGFR3,FGFR4,PDGFRA,KIT}

> <pathway_gtopdb>
{Enzyme,Kinase,Lyase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase FGFR family","Tyrosine protein kina
se PDGFR family"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Carbonic anhydrases","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type IV RTKs: VEGF (vascular endothelial growth factor) rece
ptor family","Type XIV RTKs: RET","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Developmental Biology",Disease,"Signaling by Receptor Tyrosine Kinases","Reversible hydration of carbon dioxide","Nervous system development","Diseases of signal tra
nsduction by growth factor receptors and second messengers","Signaling by VEGF","Axon guidance","Signaling by FGFR in disease","Signaling by FGFR","Signaling by PDGFR in disease","Signaling by KIT in 
disease","VEGFA-VEGFR2 Pathway","VEGF ligand-receptor interactions","RET signaling","Signaling by FGFR1 in disease","Signaling by FGFR2 in disease","Signaling by FGFR3 in disease","Signaling by FGFR4"
,"Drug resistance of PDGFR mutants","Drug resistance of KIT mutants","VEGFR2 mediated cell proliferation","VEGF binds to VEGFR leading to receptor dimerization","FGFR1 mutant receptor activation","FGF
R2 mutant receptor activation","Signaling by FGFR3 point mutants in cancer","Downstream signaling of activated FGFR4","Imatinib-resistant PDGFR mutants","Dasatinib-resistant KIT mutants","Signaling by
 activated point mutants of FGFR1","Activated point mutants of FGFR2","FGFR3 mutant receptor activation","FRS-mediated FGFR4 signaling","Signaling by activated point mutants of FGFR3"}

> <broad_targets>
{FLT4,KDR}

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

> <synonyms>
{Lenvatinib,417716-92-8,417716928,E7080,"Lenvatinib (E7080)",Lenvima,"E7080 (Lenvatinib)","E 7080",E-7080,ER-203492-00,ER20349200,UNII-EE083865G2,UNIIEE083865G2,"Lenvatinib free base",CHEMBL1289601,CH
EBI:85994,"417716-92-8 (free base)","417716928 (free base)",EE083865G2,"Lenvatinib (USAN:INN)",Kisplyx,LEV,Len,T0520,755980,S1164,lenvatinib}

> <pdid>
PD003669

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

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

> <pubchem_cids>
{9823820}

$$$$
Broad_2021
  SciTegic11012413022D

 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>
Broad_2021

> <id>
33850

> <plate>
Plate_1

> <well>
N22

> <supplier_cmpd_name>
Menin-MLL inhibitor MI-2

> <ctcr_id>
8281

> <supplier_cmpd_id>
Menin-MLL inhibitor MI-2

> <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}

$$$$
Broad_2021
  SciTegic11012413022D

 34 35  0  0  1  0            999 V2000
   18.0927   -3.3779    0.0000 O   0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    7.7928   -6.0048    0.0000 C   0  0
    7.7953   -7.5048    0.0000 O   0  0
    9.0914   -5.2526    0.0000 N   0  0
   10.3927   -6.0004    0.0000 C   0  0  1  0  0  0
   11.6914   -5.2481    0.0000 C   0  0
   12.9927   -5.9959    0.0000 C   0  0
   14.2914   -5.2437    0.0000 C   0  0
   14.2888   -3.7437    0.0000 O   0  0
   15.5920   -5.9910    0.0000 O   0  0
   10.3984   -7.5012    0.0000 C   0  0
    9.1020   -8.2557    0.0000 O   0  0
   11.6998   -8.2471    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15  8  1  0
 15 16  2  0
 16  5  1  0
  3 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 20 23  1  0
 23 24  2  0
 23 25  1  0
 26 25  1  1
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  2  0
 26 32  1  0
 32 33  1  0
 32 34  2  0
M  END
> <name>
Broad_2021

> <id>
33851

> <plate>
Plate_1

> <well>
O22

> <supplier_cmpd_name>
Methotrexate

> <ctcr_id>
2727

> <supplier_cmpd_id>
Methotrexate

> <smiles>
O.CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O

> <pd_targets>
{SKA,DFRA17,CASP1,DFRA,DHFR,FOLA,THYA,APE1,PTR1,KDM4E,CASP7,MAPT,HMGB1,KMT2A,MEN1,HSD17B10,TDP1,ALDH1A1,TP53,TYMS,LMNA,FFP,APEX1,SLC19A1,BLM,GLA,ALOX15,POLB,HPGD,LMP1,NCOA3,FOLR2,FPGS,SLC46A1,ABCC3,FO
LR1,ATIC,GART}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein","Unclassified protein","Transcription factor","Other nuclear protein",Transporter,"Membrane receptor",Kinase,Oxidoreductase,Protease,Transferas
e,Eraser,Reader,Hydrolase,"Electrochemical transporter",Writer,Ligase,"Primary active transporter","Cysteine protease","Metallo protease","Lysine demethylase",Bromodomain,"SLC superfamily of solute ca
rriers","Histone acetyltransferase","ATP-binding cassette","Cysteine protease CD clan","Metallo protease MH clan","Jumonji domain-containing","SLC19 family of vitamin transporters","SRC family","SLC46
 family of folate transporters","ABCC subfamily","Cysteine protease C14 family","Metallo protease M18 family"}

> <pathway_chembl>
{Enzymes,Transporters,"Peptidases and proteinases","1.-.-.- Oxidoreductases","Chromatin modifying enzymes","2.1.1.- Methyltransferases","SLC superfamily of solute carriers","Eicosanoid turnover","ATP-
binding cassette transporter family","CD: Cysteine (C) Peptidases","1.14.11.- Histone demethylases","SLC19 family of vitamin transporters",Lipoxygenases,"Prostaglandin synthases","2.3.1.48 Histone ace
tyltransferases (HATs)","SLC46 family of folate transporters","ABCC subfamily","C14: Caspase"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","Programmed Cell Death","Neuronal System","Immune System",Metabolism,"DNA Repair","Metabolism of proteins","RNA Polymerase II Transcription",Mitotic,Apo
ptosis,"Transmission across Chemical Synapses","Innate Immune System","Metabolism of amino acids and derivatives","DNA Double-Strand Break Repair","Biological oxidations","Cell Cycle Checkpoints","Bas
e Excision Repair","Metabolism of vitamins and cofactors","Metabolism of lipids","Post-translational protein modification","Metabolism of nucleotides","Generic Transcription Pathway","Mitotic G1 phase
 and G1/S transition","Intrinsic Pathway for Apoptosis","Neurotransmitter receptors and postsynaptic signal transmission","Toll-like Receptor Cascades","Branched-chain amino acid catabolism","Nonhomol
ogous End-Joining (NHEJ)","Phase I - Functionalization of compounds","G1/S DNA Damage Checkpoints","M Phase","Resolution of Abasic Sites (AP sites)","Metabolism of water-soluble vitamins and cofactors
","Homology Directed Repair","Sphingolipid metabolism","Biosynthesis of specialized proresolving mediators (SPMs)","Regulation of lipid metabolism by PPARalpha","Metabolism of steroids","Asparagine N-
linked glycosylation","Nucleobase biosynthesis","Transcriptional Regulation by TP53","G1/S Transition","Apoptotic factor-mediated response","Activation of NMDA receptors and postsynaptic events","Toll
 Like Receptor 5 (TLR5) Cascade","Ethanol oxidation","p53-Dependent G1/S DNA damage checkpoint","Mitotic Metaphase and Anaphase","Resolution of AP sites via the multiple-nucleotide patch replacement p
athway","Metabolism of folate and pterines","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Glycosphingolipid metabolism","Biosynthesis of DPA-derived SPMs","Biosynthesi
s of DHA-derived SPMs","PPARA activates gene expression","Bile acid and bile salt metabolism","Transport to the Golgi and subsequent modification","Purine ribonucleoside monophosphate biosynthesis","T
P53 Regulates Transcription of Cell Death Genes","G1/S-Specific Transcription","Cytochrome c-mediated apoptotic response","Post NMDA receptor activation events","MyD88 cascade initiated on plasma memb
rane","p53-Dependent G1 DNA Damage Response","Mitotic Anaphase","PCNA-Dependent Long Patch Base Excision Repair","HDR through Homologous Recombination (HRR)","Biosynthesis of DPAn-3 SPMs","Biosynthesi
s of D-series resolvins","Recycling of bile acids and salts","ER to Golgi Anterograde Transport","TP53 Regulates Transcription of Caspase Activators and Caspases","Activation of caspases through apopt
osome-mediated cleavage","Activation of AMPK downstream of NMDARs","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Stabilization of p53","Nuclear Envelope (NE) Reassembly","Ho
mologous DNA Pairing and Strand Exchange","Biosynthesis of DPAn-3-derived protectins and resolvins","Cargo concentration in the ER","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuc
lear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{DHFR}

> <broad_moa>
{"dihydrofolate reductase inhibitor"}

> <synonyms>
{"Methotrexate hydrate","Methotrexate monohydrate",133073-73-1,133073731,"Methotrexate hydrate(1:x)","Methotrexate xhydrate",6745-93-3,6745933,UNII-84DMZ3IHO0,UNII84DMZ3IHO0,84DMZ3IHO0,MLS001401431,MF
CD00150847,"L-Amethopterin hydrate","LAmethopterin hydrate",SMR000449324,Abitrexate(Methotrexate)/,M,T1485,SAM001246985,Methotrexate,CPD000449324}

> <pdid>
PD002823

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{165528}

$$$$
Broad_2021
  SciTegic11012413022D

 24 27  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5989    1.5003    0.0000 C   0  0
   -3.8987    2.2073    0.0000 C   0  0
   -3.9004    3.7073    0.0000 C   0  0
   -2.6022    4.4587    0.0000 N   0  0
   -1.3023    3.7102    0.0000 C   0  0
   -1.3006    2.2102    0.0000 C   0  0
   -3.8974    0.7469    0.0000 C   0  0
   -3.8943   -0.7531    0.0000 C   0  0
   -5.1918   -1.5058    0.0000 C   0  0
   -6.4924   -0.7585    0.0000 C   0  0
   -6.4955    0.7415    0.0000 C   0  0
   -5.1980    1.4942    0.0000 C   0  0
   -7.7905   -1.5116    0.0000 C   0  0
   -7.9276   -2.9925    0.0000 C   0  0
   -9.3947   -3.3051    0.0000 N   0  0
  -10.1453   -2.0065    0.0000 N   0  0
   -9.1422   -0.8913    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
  8 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 20  1  0
M  END
> <name>
Broad_2021

> <id>
33852

> <plate>
Plate_1

> <well>
P22

> <supplier_cmpd_name>
AT7867

> <ctcr_id>
3797

> <supplier_cmpd_id>
AT7867

> <smiles>
Clc1ccc(cc1)C2(CCNCC2)c3ccc(cc3)c4c[nH]nc4

> <pd_targets>
{AKT2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","AGC protein kinase AKT family"}

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

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by Insulin receptor","Insulin receptor signalling cascade","IRS-mediated signalling","PI3K Cascade","PKB-mediated events","PD
E3B signalling"}

> <broad_targets>
{AKT2,GSK3B,PKIA,PRKACA}

> <broad_moa>
{"AKT inhibitor"}

> <synonyms>
{AC-30293,AC30293,AT7867,857531-00-1,857531001,4-(4-chlorophenyl)-4-(4-(1H-pyrazol-4-yl)phenyl)piperidine,4(4chlorophenyl)4(4(1Hpyrazol4yl)phenyl)piperidine,AT-7867,4-(4-(1H-pyrazol-4-yl)phenyl)-4-(4-
chlorophenyl)piperidine,4(4(1Hpyrazol4yl)phenyl)4(4chlorophenyl)piperidine,UNII-ERF7YL2CE2,UNIIERF7YL2CE2,ERF7YL2CE2,"Piperidine, 4-(4-chlorophenyl)-4-(4-(1H-pyrazol-4-yl)phenyl)-","Piperidine, 4(4chl
orophenyl)4(4(1Hpyrazol4yl)phenyl)",AT,S1558}

> <pdid>
PD003534

> <targets>
{Akt,"S6 Kinase","S6 kinase",PKA,"Ribosomal S6 Kinase (RSK)"}

> <classes>
{PI3K/Akt/mTOR,MAPK/ERK Pathway,Protein Tyrosine Kinase/RTK,Stem Cell/Wnt}

> <pubchem_cids>
{11175137}

$$$$
Broad_2021
  SciTegic11012413022D

 31 34  0  0  0  0            999 V2000
    8.6552    9.4120    0.0000 F   0  0
    8.3576    7.9418    0.0000 C   0  0
    6.9355    7.4648    0.0000 F   0  0
    7.2333    8.9348    0.0000 F   0  0
    9.4820    6.9477    0.0000 O   0  0
    9.1843    5.4767    0.0000 C   0  0
   10.3067    4.4816    0.0000 C   0  0
   10.0061    3.0121    0.0000 C   0  0
    8.5831    2.5375    0.0000 C   0  0
    8.2794    1.0677    0.0000 N   0  0
    6.8550    0.5950    0.0000 C   0  0
    5.7343    1.5920    0.0000 O   0  0
    6.5517   -0.8722    0.0000 C   0  0
    7.5554   -1.9869    0.0000 S   0  0
    6.8054   -3.2859    0.0000 C   0  0
    5.3382   -2.9741    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    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
    7.4607    3.5327    0.0000 C   0  0
    7.7613    5.0023    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  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 13  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 20  1  0
 29 24  1  0
  9 30  1  0
 30 31  2  0
 31  6  1  0
M  END
> <name>
Broad_2021

> <id>
33853

> <plate>
Plate_2

> <well>
A03

> <supplier_cmpd_name>
OSI-930

> <ctcr_id>
6873

> <supplier_cmpd_id>
OSI-930

> <smiles>
FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc3ccnc4ccccc34)cc1

> <pd_targets>
{KIT,CYP3A4,RAF1,KDR,LCK,CSF1R,FLT1,FLT4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 3","TK protein kinase group","Cytochrome P450 family 3A","TKL protein kinase group","Tyrosine protein kinase PDGFR family","Cy
tochrome P450 3A4","TKL protein kinase RAF family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Src family"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Cytochrome P450","Receptor kinases","CYP3 family","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","Receptor tyrosine kinases (RTKs)","RAF family","Non-recep
tor tyrosine kinases (nRTKs)","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Src family"}

> <pathway_reactome>
{Disease,Metabolism,"Signal Transduction","Gene expression (Transcription)","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","MAPK family signa
ling cascades","Signaling by Receptor Tyrosine Kinases","Infectious disease","RNA Polymerase II Transcription","Signaling by KIT in disease","Biosynthesis of specialized proresolving mediators (SPMs)"
,"MAPK1/MAPK3 signaling","Signaling by VEGF","HIV Infection","Generic Transcription Pathway","Drug resistance of KIT mutants","Biosynthesis of DHA-derived SPMs","RAF/MAP kinase cascade","VEGFA-VEGFR2 
Pathway","Host Interactions of HIV factors","Transcriptional Regulation by VENTX","VEGF ligand-receptor interactions","Dasatinib-resistant KIT mutants","Biosynthesis of maresins","Negative regulation 
of MAPK pathway","VEGFR2 mediated cell proliferation","The role of Nef in HIV-1 replication and disease pathogenesis","VEGF binds to VEGFR leading to receptor dimerization","Biosynthesis of maresin-li
ke SPMs","Negative feedback regulation of MAPK pathway","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Nef Mediated CD4 Down-regulation"}

> <broad_targets>
{FLT1,KDR,KIT}

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

> <synonyms>
{SI93,G1PEG5Q9Y2,CHEMBL1614710,C22H16F3N3O2S,cc-339,cc339,MLS006010277,SCHEMBL633719,GTPL9383,CHEBI:91433,DTXSID60993606,HMS3295O11,HMS3654H03,AOB87749,BCP02118,EX-A2118,EXA2118,ZINC3962535,BDBM503568
77,NSC766887,NSC800811,s1220,AKOS026750567,BCP9001037,CCG-264867,CCG264867,CS,T2624,S1220,"OSI 930",OSI-930}

> <pdid>
PD003487

> <targets>
{"c-Kit | VEGFR-PDGFR",CSF-1R,VEGFR,c-Kit,Apoptosis,c-Fms}

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

> <pubchem_cids>
{9868037}

$$$$
Broad_2021
  SciTegic11012413022D

 32 36  0  0  0  0            999 V2000
    3.7464   -3.9055    0.0000 O   0  0
    4.4987   -2.6078    0.0000 C   0  0
    3.7501   -1.3070    0.0000 N   0  0
    2.2493   -1.3039    0.0000 C   0  0
    1.5008   -0.0031    0.0000 C   0  0
    0.0000    0.0000    0.0000 N   0  0
   -0.7540    1.2970    0.0000 C   0  0
   -2.2621    1.2970    0.0000 C   0  0
   -3.0162    0.0000    0.0000 C   0  0
   -2.2621   -1.2970    0.0000 C   0  0
   -0.7540   -1.2970    0.0000 C   0  0
   -3.8909    1.2065    0.0000 N   0  0
   -5.3236    0.7390    0.0000 C   0  0
   -5.3236   -0.7540    0.0000 N   0  0
   -3.8909   -1.2065    0.0000 C   0  0
   -3.4207   -2.6309    0.0000 O   0  0
   -3.4273    2.6338    0.0000 C   0  0
   -4.3416    3.8166    0.0000 C   0  0
   -3.7717    5.2042    0.0000 C   0  0
   -2.2852    5.4044    0.0000 C   0  0
   -1.3685    4.2170    0.0000 C   0  0
   -1.9384    2.8295    0.0000 C   0  0
    5.9995   -2.6109    0.0000 C   0  0
    6.7496   -3.9099    0.0000 C   0  0
    8.2496   -3.9100    0.0000 C   0  0
    8.9996   -2.6110    0.0000 C   0  0
   10.4996   -2.6110    0.0000 C   0  0
   11.2496   -1.3120    0.0000 C   0  0
   10.4997   -0.0129    0.0000 C   0  0
    8.9997   -0.0129    0.0000 C   0  0
    8.2496   -1.3119    0.0000 C   0  0
    6.7496   -1.3119    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15  9  1  0
 15 16  2  0
 12 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
  2 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 26  1  0
 31 32  2  0
 32 23  1  0
M  END
> <name>
Broad_2021

> <id>
33854

> <plate>
Plate_2

> <well>
C03

> <supplier_cmpd_name>
CAY10594

> <ctcr_id>
8247

> <supplier_cmpd_id>
CAY10594

> <smiles>
O=C(NCCN1CCC2(CC1)N(CNC2=O)c3ccccc3)c4ccc5ccccc5c4

> <pd_targets>
{PLD1,PLD2}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{Enzymes,"Glycerophospholipid turnover","Phosphatidylcholine-specific phospholipase D"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Phospholipid metabolism","Glycerophospholipid biosynthesis","Synthesis of PA"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CAY10594,1130067-34-3,1130067343,CHEMBL511475,"N-(2-(4-Oxo-1-phenyl-1,3,8-triazaspiro(4.5)decan-8-yl)ethyl)-2-naphthamide","N(2(4Oxo1phenyl1,3,8triazaspiro(4.5)decan8yl)ethyl)2naphthamide",SCHEMBL103
11310,CHEBI:95023,DTXSID50648719,HMS3648I04,BCP30751,EX-A3212,EXA3212,BDBM50278167,CAY-10594,ZINC40896792,AS-55973,AS55973,"CAY 10594;CAY-10","CAY 10594;CAY10",13207}

> <pdid>
PD003396

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{25105715}

$$$$
Broad_2021
  SciTegic11012413022D

 40 42  0  0  1  0            999 V2000
   15.5995   -1.4747    0.0000 C   0  0
   14.2989   -0.7273    0.0000 C   0  0
   13.0002   -1.4796    0.0000 C   0  0
   11.6990   -0.7319    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0  1  0  0  0
   10.4029   -2.9841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    7.8029   -2.9887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 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  0  0  0
   -1.3170    2.2179    0.0000 O   0  0
    1.2999    2.2084    0.0000 C   0  0
    2.6000    1.4586    0.0000 C   0  0
    3.8999    2.2087    0.0000 C   0  0
    5.2000    1.4589    0.0000 C   0  0
    6.4999    2.2090    0.0000 C   0  0
    7.8000    1.4592    0.0000 C   0  0
    9.0999    2.2093    0.0000 C   0  0
    9.0997    3.7093    0.0000 O   0  0
   10.3999    1.4595    0.0000 N   0  0
   11.6998    2.2096    0.0000 C   0  0
   13.0524    1.5911    0.0000 C   0  0
   13.3582    0.1226    0.0000 O   0  0
   14.0540    2.7077    0.0000 C   0  0
   13.3016    4.0053    0.0000 C   0  0
   11.8350    3.6907    0.0000 C   0  0
   10.7125    4.6857    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5926    0.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  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  1
  5  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  1  1
 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
 26 28  1  0
 28 29  1  0
 29 30  2  3
 30 31  1  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 29  1  0
 34 35  2  0
 18 36  1  0
 36 37  1  1
 38 37  1  1
 38 36  1  0
 38 39  1  0
 39 16  1  0
 39 40  2  0
M  END
> <name>
Broad_2021

> <id>
33855

> <plate>
Plate_2

> <well>
E03

> <supplier_cmpd_name>
manumycin A

> <ctcr_id>
8269

> <supplier_cmpd_id>
manumycin A

> <smiles>
CCCC[C@@H](C)\C=C(C)\C=C(/C)C(=O)NC1=C[C@@](O)(\C=C\C=C\C=C\C(=O)NC2=C(O)CCC2=O)[C@@H]3O[C@@H]3C1=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Manumycin A",manumycin,Ucfi-C,UcfiC,AC1O5PHE,UNII-OIQ298X4XD,UNIIOIQ298X4XD,52665-74-4,52665744,OIQ298X4XD,CHEBI:29623,C31H38N2O7,"(?)-Manumycin A","(?)Manumycin A",BSPBio_001231,BSPBio001231,BSPBio
-001231,"BSPBio 001231",SCHEMBL12519093,HMS1792M13,HMS1990M13,HMS3403M13,HY-N6796,HYN6796,1846AH,LMFA08020185,ZINC100031259,QTL1_000054,QTL1000054,QTL1-000054,"QTL1 000054",SMP2_00,SMP200,SMP2-00,"SMP
2 00",10010497,"manumycin A"}

> <pdid>
PD015778

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6438330}

$$$$
Broad_2021
  SciTegic11012413022D

 24 26  0  0  0  0            999 V2000
   -0.2237   -5.5078    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8933    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    6.4914    5.2571    0.0000 C   0  0
    6.4915    3.7571    0.0000 C   0  0
    5.1925    3.0071    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4983    0.7413    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
  8 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 18 23  1  0
 23 24  2  0
 24  4  1  0
 24  7  1  0
M  END
> <name>
Broad_2021

> <id>
33856

> <plate>
Plate_2

> <well>
G03

> <supplier_cmpd_name>
N9-isopropylolomoucine

> <ctcr_id>
5865

> <supplier_cmpd_id>
N9-isopropylolomoucine

> <smiles>
CC(C)n1cnc2c(NCc3ccccc3)nc(NCCO)nc12

> <pd_targets>
{HIPK4,DYRK1A,SRPK1,CDK5,CLK2,CLK4,CSNK1D,CDK1,CDK2,RORC}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Kinase,"Nuclear receptor","Protein Kinase","Nuclear hormone receptor subfamily 1","CMGC protein kinase group","CK1 protein kinase group","Nuclear hormone receptor subfam
ily 1 group F","CMGC protein kinase DYRK family","CMGC protein kinase SRPK family","CMGC protein kinase CDK family","CMGC protein kinase CLK family","CK1 protein kinase CK1 family","Nuclear hormone re
ceptor subfamily 1 group F member 3","CMGC protein kinase HIPK subfamily","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase CDK5 subfamily","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","1F. Retinoic acid-related orphans","Dual-specificity tyros
ine-(Y)-phosphorylation regulated kinase (DYRK) family","SRPK family","Cyclin-dependent kinase (CDK) family","CLK family","Casein kinase 1 (CK1) family","HIPK subfamily","Dyrk1 subfamily","CDK5 subfam
ily","CDK1 subfamily"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Mitotic,"RNA Polymerase II Transcription","Mitotic G1 phase and G1/S transition","Generic Transcription Pathway","Mitotic G2-G2/M phases","Regulation of
 mitotic cell cycle","G0 and Early G1","Transcriptional Regulation by TP53","G2/M Transition","APC/C-mediated degradation of cell cycle proteins","Transcriptional regulation by RUNX3","Regulation of T
P53 Activity","Centrosome maturation","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","RUNX3 Regulates Immune Response and Cell Migration","Regulation of TP53 Activity t
hrough Phosphorylation","Loss of proteins required for interphase microtubule organization from the centrosome","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Expression an
d Degradation","Loss of Nlp from mitotic centrosomes","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Regulation of TP53 Degradation","Cdc20:
Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{9ISOPROPYLOLOMOUCIN,"9 ISOPROPYL OLOMOUCIN",N9-ISOPROPYL-OLOMOUCINE,N9ISOPROPYLOLOMOUCINE,"N9 ISOPROPYL OLOMOUCINE",158982-15-1,158982151,"158982 15 1",9-Isopropylolomoucine,9Isopropylolomoucine,"9 I
sopropylolomoucine",N9-Isopropyl,N9Isopropyl,ALX-270-397-M005,CC-202,N9-isopropylolomoucine,N9-isopropyl-olomoucine}

> <pdid>
PD003350

> <targets>
{CDK}

> <classes>
{}

> <pubchem_cids>
{6610355}

$$$$
Broad_2021
  SciTegic11012413022D

 38 41  0  0  0  0            999 V2000
   15.3927   -4.8995    0.0000 Cl  0  0
   12.8927   -4.8995    0.0000 Cl  0  0
    6.4971   -0.7566    0.0000 F   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8919   -5.2525    0.0000 F   0  0
    5.1945   -3.0045    0.0000 C   0  0
    6.4946   -3.7543    0.0000 C   0  0
    7.7945   -3.0041    0.0000 N   0  0
    9.0950   -3.7516    0.0000 C   0  0
   10.3927   -2.9992    0.0000 C   0  0
   10.3899   -1.4992    0.0000 O   0  0
    9.0894   -0.7517    0.0000 C   0  0
    7.7918   -1.5041    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -2.5112   -6.1125    0.0000 C   0  0
   -2.0454   -7.5384    0.0000 N   0  0
   -0.5454   -7.5360    0.0000 N   0  0
   -0.0841   -6.1087    0.0000 C   0  0
    0.3387   -8.7487    0.0000 C   0  0
   -0.1635  -10.1569    0.0000 C   0  0
    0.8088  -11.2991    0.0000 C   0  0
    2.2841  -11.0281    0.0000 N   0  0
    2.7871   -9.6150    0.0000 C   0  0
    1.8148   -8.4728    0.0000 C   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10  4  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 12  1  0
  6 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 18  1  0
 27 22  1  0
 25 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 28  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 33  1  0
M  END
> <name>
Broad_2021

> <id>
33857

> <plate>
Plate_2

> <well>
A05

> <supplier_cmpd_name>
NVP-BSK805 (dihydrochloride)

> <ctcr_id>
5280

> <supplier_cmpd_id>
NVP-BSK805 (dihydrochloride)

> <smiles>
Cl.Cl.Fc1cc(cc(F)c1CN2CCOCC2)c3cccc4ncc(nc34)c5cnn(c5)C6CCNCC6

> <pd_targets>
{JAK3,JAK1,JAK2,TYK2,ABL1}

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

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

> <pathway_reactome>
{"Immune System","Cell Cycle",Disease,"Cytokine Signaling in Immune system",Mitotic,"Infectious disease","Signaling by Interleukins","Interferon Signaling","Mitotic G1 phase and G1/S transition","Leis
hmania infection","Interleukin-2 family signaling","Antiviral mechanism by IFN-stimulated genes","G1 Phase","Interferon alpha/beta signaling","Parasite infection","Interleukin-15 signaling","ISG15 ant
iviral mechanism","Cyclin D associated events in G1","Regulation of IFNA signaling","Leishmania phagocytosis","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{"VPBSK805 2HC","NVP-BSK805 2HCl","NVPBSK805 2HCl","NVP-BSK805 dihydrochloride","NVPBSK805 dihydrochloride","NVP-BSK805 (dihydrochloride)","NVPBSK805 (dihydrochloride)",1942919-79-0,1942919790,"109249
9-93-8 (free base)","1092499938 (free base)",cc-625,cc625,"NVP-GSK 805","NVPGSK 805",C27H28F2N6O.2ClH,C27H28F2N6O.2HCl,BSK805,DTXSID20720930,NVP-BSK805/NVPBSK805,NVPBSK805/NVPBSK805,SYN1136,BCP23423,E
X-A,EXA,S2686,NVP-BSK805}

> <pdid>
PD003577

> <targets>
{JAK}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{57339395}

$$$$
Broad_2021
  SciTegic11012413022D

 50 49  0  0  1  0            999 V2000
    6.4890    6.7488    0.0000 C   0  0
    6.4921    5.2488    0.0000 C   0  0
    7.7929    4.5002    0.0000 C   0  0
    7.7960    2.9994    0.0000 C   0  0
    9.0968    2.2508    0.0000 C   0  0  1  0  0  0
   10.3946    3.0031    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0  1  0  0  0
    7.7999    0.0000    0.0000 O   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0  2  0  0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 O   0  0
    0.0007    0.0004    0.0000 O   0  0
    3.8969    2.2508    0.0000 C   0  0
    5.1946    3.0031    0.0000 O   0  0
    2.5968    2.9990    0.0000 O   0  0
   10.3999    0.0000    0.0000 C   0  0  2  0  0  0
   11.6999    0.7500    0.0000 C   0  0
   12.9999    0.0000    0.0000 C   0  0  1  0  0  0
   12.9999   -1.5000    0.0000 C   0  0
   14.2999    0.7500    0.0000 C   0  0
   15.5999    0.0000    0.0000 C   0  0  2  0  0  0
   15.5999   -1.5000    0.0000 O   0  0
   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  1  0  0  0
   22.0998    2.2500    0.0000 O   0  0
   23.3998    0.0000    0.0000 C   0  0
   24.6998    0.7500    0.0000 C   0  0  2  0  0  0
   24.6998    2.2500    0.0000 O   0  0
   25.9998    0.0000    0.0000 C   0  0  2  0  0  0
   25.9998   -1.5000    0.0000 C   0  0
   27.2991    0.7496    0.0000 N   0  0
   10.3968   -1.5008    0.0000 O   0  0
    9.0960   -2.2494    0.0000 C   0  0
    7.7983   -1.4971    0.0000 O   0  0
    9.0929   -3.7502    0.0000 C   0  0
    7.7921   -4.4988    0.0000 C   0  0  2  0  0  0
    7.7890   -5.9996    0.0000 C   0  0
    6.4882   -6.7482    0.0000 C   0  0
    5.1905   -5.9959    0.0000 O   0  0
    6.4851   -8.2482    0.0000 O   0  0
    6.4921   -3.7488    0.0000 C   0  0
    6.4921   -2.2488    0.0000 O   0  0
    5.1928   -4.4984    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
  5  7  1  0
  7  8  1  6
  8  9  1  0
  9 10  2  0
  9 11  1  0
 12 11  1  6
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 12 17  1  0
 17 18  1  0
 17 19  2  0
  7 20  1  0
 20 21  1  6
 21 22  1  0
 22 23  1  6
 22 24  1  0
 24 25  1  0
 25 26  1  1
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  1
 31 33  1  0
 33 34  1  0
 34 35  1  6
 34 36  1  0
 36 37  1  1
 36 38  1  0
 20 39  1  0
 39 40  1  0
 40 41  2  0
 40 42  1  0
 43 42  1  6
 43 44  1  0
 44 45  1  0
 45 46  1  0
 45 47  2  0
 43 48  1  0
 48 49  1  0
 48 50  2  0
M  END
> <name>
Broad_2021

> <id>
33858

> <plate>
Plate_2

> <well>
C05

> <supplier_cmpd_name>
Fumonisin_B1

> <ctcr_id>
8242

> <supplier_cmpd_id>
Fumonisin_B1

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

> <pd_targets>
{ALDH1A1,POLB}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase,Protease,"Cysteine protease","Cysteine protease CA clan","Cysteine protease C1A family"}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Ethanol oxidation","DNA Repair","Base Excision Repair","Resolution of Abasic Sites (AP sites)","Resolution of AP sites v
ia the multiple-nucleotide patch replacement pathway","PCNA-Dependent Long Patch Base Excision Repair"}

> <broad_targets>
{CERS1}

> <broad_moa>
{}

> <synonyms>
{"fumonisin b1",116355-83-0,116355830,FUMONISINB1,ZINC95585893,A4537,C19241,62580,Fumonisin_B1}

> <pdid>
PD003601

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{14077784}

$$$$
Broad_2021
  SciTegic11012413022D

 23 22  0  0  1  0            999 V2000
    6.4928    5.2484    0.0000 C   0  0
    7.7929    4.5002    0.0000 As  0  0
    9.0907    5.2525    0.0000 C   0  0
    7.7960    2.9994    0.0000 S   0  0
    9.0968    2.2508    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0  2  0  0  0
    7.7999    0.0000    0.0000 N   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 O   0  0
    5.2000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0  2  0  0  0
    2.6000   -1.5000    0.0000 N   0  0
    1.3000    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 O   0  0
    0.0007    0.0004    0.0000 O   0  0
   10.3999    0.0000    0.0000 C   0  0
   10.3999   -1.5000    0.0000 O   0  0
   11.6999    0.7500    0.0000 N   0  0
   12.9999    0.0000    0.0000 C   0  0
   14.2999    0.7500    0.0000 C   0  0
   14.2999    2.2500    0.0000 O   0  0
   15.5992    0.0004    0.0000 O   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  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  6
 12 14  1  0
 14 15  1  0
 14 16  2  0
  6 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
M  END
> <name>
Broad_2021

> <id>
33859

> <plate>
Plate_2

> <well>
E05

> <supplier_cmpd_name>
Darinaparsin

> <ctcr_id>
8225

> <supplier_cmpd_id>
Darinaparsin

> <smiles>
C[As](C)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Darinaparsin,69819-86-9,69819869,Zinapar,ZIO-101,ZIO101,DMAs(III)G,UNII-9XX54M675G,UNII9XX54M675G,SP-02L,SP02L,"ZIO 101",9XX54M675G,clarinaparsin,DMAs(III)SG,"Darinaparsin (USAN:INN)","dimethylarsino
us glutathione",S-dimethylarsino-glutathione,Sdimethylarsinoglutathione,S-(dimethylarsino)glutathione,S(dimethylarsino)glutathione,S-(di,S(di}

> <pdid>
PD003681

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{11683005}

$$$$
Broad_2021
  SciTegic11012413022D

 27 28  0  0  1  0            999 V2000
   16.4628    3.3039    0.0000 C   0  0
   14.9630    3.2830    0.0000 C   0  0
   14.2298    1.9734    0.0000 C   0  0
   12.7292    1.9526    0.0000 C   0  0
   11.9960    0.6430    0.0000 C   0  0
   10.4954    0.6222    0.0000 C   0  0
    9.7623   -0.6874    0.0000 C   0  0
    8.2616   -0.7083    0.0000 C   0  0
    7.5285   -2.0179    0.0000 C   0  0
    6.0278   -2.0387    0.0000 C   0  0
    5.2975   -3.3429    0.0000 C   0  0  1  0  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 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0031    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0031    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    4.2368   -5.1800    0.0000 O   0  0
    5.6857   -4.7918    0.0000 C   0  0
    6.9848   -5.5417    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
 11 10  1  6
 11 12  1  0
 12 13  1  1
 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
 18 21  1  0
 21 22  1  0
 22 23  1  0
 21 24  2  0
 24 15  1  0
 12 25  1  0
 25 26  1  0
 26 11  1  0
 26 27  2  0
M  END
> <name>
Broad_2021

> <id>
33860

> <plate>
Plate_2

> <well>
G05

> <supplier_cmpd_name>
palmostatin B

> <ctcr_id>
8231

> <supplier_cmpd_id>
palmostatin B

> <smiles>
CCCCCCCCCC[C@H]1[C@H](CCc2ccc(OC)c(OC)c2)OC1=O

> <pd_targets>
{LYPLA1,LYPLA2,ABHD16A}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology","MAPK family signaling cascades","Nervous system development","MAPK1/MAPK3 signaling","Axon guidance","RAF/MAP kinase cascade","L1CAM interactions","RAS 
processing"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Palmostatin B",1233365-12-2,1233365122,CHEMBL1673415,"(3S,4S)-3-decyl-4-(2-(3,4-dimethoxyphenyl)ethyl)oxetan-2-one","(3S,4S)3decyl4(2(3,4dimethoxyphenyl)ethyl)oxetan2one",PalmostatinB,BDBM50336546,1
78501,"palmostatin B"}

> <pdid>
PD003665

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{45100481}

$$$$
Broad_2021
  SciTegic11012413022D

 34 38  0  0  1  0            999 V2000
   -0.1222   -1.1625    0.0000 C   0  0
    0.6654   -2.4391    0.0000 N   0  0
    0.1040   -3.8300    0.0000 C   0  0
    1.2534   -4.7938    0.0000 N   0  0
    2.5252   -3.9985    0.0000 C   0  0
    2.1477   -2.5600    0.0000 C   0  0
    3.1121   -1.4100    0.0000 C   0  0  2  0  0  0
    4.5893   -1.6705    0.0000 N   0  0
    2.5992    0.0005    0.0000 C   0  0
    3.8985    0.7500    0.0000 C   0  0
    3.8989    2.2500    0.0000 C   0  0
    2.6001    3.0005    0.0000 C   0  0
    2.6006    4.5005    0.0000 Cl  0  0
    1.3009    2.2509    0.0000 C   0  0
    1.3004    0.7509    0.0000 C   0  0
    1.6341   -1.1494    0.0000 C   0  0
    1.1211    0.2601    0.0000 C   0  0
   -0.3561    0.5206    0.0000 C   0  0
   -1.3203   -0.6285    0.0000 C   0  0
   -2.7975   -0.3680    0.0000 N   0  0
   -3.3106    1.0415    0.0000 C   0  0
   -3.7617   -1.5171    0.0000 C   0  0
   -5.2389   -1.2566    0.0000 O   0  0
   -3.2487   -2.9266    0.0000 C   0  0
   -1.7714   -3.1871    0.0000 C   0  0
   -1.2582   -4.5973    0.0000 C   0  0
   -2.2205   -5.7480    0.0000 C   0  0
   -1.7052   -7.1568    0.0000 C   0  0
   -0.2276   -7.4149    0.0000 C   0  0
    0.7348   -6.2643    0.0000 C   0  0
    2.2124   -6.5224    0.0000 Cl  0  0
    0.2195   -4.8556    0.0000 C   0  0
   -0.8073   -2.0380    0.0000 C   0  0
    0.6699   -2.2985    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  2  1  0
  6  7  1  0
  7  8  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
  7 16  1  6
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  2  3
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  2  0
 32 26  1  0
 25 33  1  0
 33 19  1  0
 33 34  2  0
 34 16  1  0
M  END
> <name>
Broad_2021

> <id>
33861

> <plate>
Plate_2

> <well>
A07

> <supplier_cmpd_name>
Tipifarnib (S enantiomer)

> <ctcr_id>
8276

> <supplier_cmpd_id>
Tipifarnib (S enantiomer)

> <smiles>
Cn1cncc1[C@](N)(c2ccc(Cl)cc2)c3ccc4N(C)C(=O)C=C(c5cccc(Cl)c5)c4c3

> <pd_targets>
{FNTB,FNTA,PGGT1B,CYP3A4}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Transferase,"Family A G protein-coupled receptor","Cytochrome P450","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Monoamine-derivative receptor (fam
ily A GPCR)","Cytochrome P450 family 3A","Melatonin receptor","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"2.5.1.58 Protein farnesyltransferase","Catalytic receptors","Cytochrome P450","Receptor guanylyl cyclase (RGC) family","CYP3 family","Nitric oxide (NO)-sensitive (soluble) guanylyl
 cyclase"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Signaling by GPCR","Metabolism of lipids","GPCR downstream signalling","Biosynthesis of specialized proresolving mediators (SPMs)","G alpha (i) signalling events","B
iosynthesis of DHA-derived SPMs","Visual phototransduction","Biosynthesis of maresins","The phototransduction cascade","Biosynthesis of maresin-like SPMs",Inactivation,"recovery and regulation of the 
phototransduction cascade"}

> <broad_targets>
{FNTA,FNTB}

> <broad_moa>
{"farnesyltransferase inhibitor"}

> <synonyms>
{"Tipifarnib S enantiomer",192185-71-0,192185710,"Tipifarnib (S enantiomer)",(S)-TIPIFARNIB,(S)TIPIFARNIB,CHEMBL243659,SCHEMBL4429738,CHEBI:95025,BCP29288,EX-A2001,EXA2001,HY-10502A,HY10502A,ZINC28473
960,AKOS030526687,CS-3788,CS3788,(S)-(-)-R-115777,(S)()R115777,(S)-(-)-R-115777;IND-58359,(S)()R115777;IND58359,T6271,"HY- 10502A",Tipifarnib,"Tipifarnib (S enantiomer)"}

> <pdid>
PD003387

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{9935249}

$$$$
Broad_2021
  SciTegic11012413022D

 28 27  0  0  1  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 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  1  0  0  0
   19.4998    2.2500    0.0000 O   0  0
   20.7998    0.0000    0.0000 C   0  0  2  0  0  0
   20.8029   -1.5008    0.0000 C   0  0
   22.1030   -2.2490    0.0000 O   0  0
   22.0998    0.7500    0.0000 N   0  0
   23.3998    0.0000    0.0000 C   0  0
   23.3998   -1.5000    0.0000 O   0  0
   24.6998    0.7500    0.0000 C   0  0
   25.9998    0.0000    0.0000 C   0  0
   27.2998    0.7500    0.0000 C   0  0
   28.5998    0.0000    0.0000 C   0  0
   29.8991    0.7496    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  1
 16 18  1  0
 18 19  1  1
 19 20  1  0
 18 21  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  1  0
M  END
> <name>
Broad_2021

> <id>
33862

> <plate>
Plate_2

> <well>
C07

> <supplier_cmpd_name>
C6-ceramide (N-Hexanoyl-D-erythro-sphingosine)

> <ctcr_id>
8299

> <supplier_cmpd_id>
C6-ceramide (N-Hexanoyl-D-erythro-sphingosine)

> <smiles>
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCC

> <pd_targets>
{CETP,FFP,KMT2A,MEN1}

> <pathway_gtopdb>
{"Ion channel","Other ion channel","Pore-forming toxins (proteins and peptides)",Enzyme,"Epigenetic regulator",Transferase,Reader,Bromodomain}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Signal Transduction","Signaling by Nuclear Receptors","NR1H2 and NR1H3-mediated signaling","NR1H3 & NR1H2 regulate gene expression linked to cholesterol transport and efflux"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HEXANOYLSPHINGOSIN,N-hexanoylsphingosine,Nhexanoylsphingosine,"C6 ceramide",C6-ceramide,C6ceramide,C(6)-ceramide,C(6)ceramide,124753-97-5,124753975,N-(hexanoyl)sphing-4-enine,N(hexanoyl)sphing4enine,
C6-Cer,C6Cer,C6-l-Erythro-ceramide,C6lErythroceramide,UNII-038753E78J,UNII038753E78J,D-erythro-N-hexanoylsphingosine,DerythroNhexanoylsphingosine,CHEBI:63867,Cer(d18:1/6:0),N-hexanoyl-D-erythro-sphing
o,NhexanoylDerythrosphingo,H6524,"C6-ceramide (N-Hexanoyl-D-erythro-sphingosine)"}

> <pdid>
PD143288

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5702613}

$$$$
Broad_2021
  SciTegic11012413022D

 29 29  0  0  0  0            999 V2000
    7.6944   -3.3789    0.0000 Cl  0  0
  -11.7065   -3.7046    0.0000 C   0  0
  -10.4047   -2.9595    0.0000 C   0  0
   -9.1073   -3.7139    0.0000 C   0  0
   -7.8047   -2.9683    0.0000 C   0  0
   -6.5073   -3.7228    0.0000 C   0  0
   -5.2048   -2.9772    0.0000 C   0  0
   -3.9073   -3.7317    0.0000 C   0  0
   -2.6048   -2.9861    0.0000 C   0  0
   -1.3074   -3.7406    0.0000 C   0  0
   -0.0048   -2.9950    0.0000 C   0  0
    0.0003   -1.4950    0.0000 O   0  0
    1.2926   -3.7495    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5030    0.0000 C   0  0
    3.8977   -0.7537    0.0000 N   0  0
    3.9020    0.7463    0.0000 C   0  0
    5.2032    1.4925    0.0000 C   0  0
    6.5001    0.7388    0.0000 O   0  0
    6.4957   -0.7612    0.0000 C   0  0
    5.1946   -1.5074    0.0000 C   0  0
    3.8934   -3.7569    0.0000 C   0  0
    5.1937   -3.0091    0.0000 O   0  0
    3.8913   -5.2577    0.0000 C   0  0
    5.1878   -6.0122    0.0000 C   0  0
    5.1828   -7.5122    0.0000 C   0  0
    3.8812   -8.2578    0.0000 C   0  0
    2.5847   -7.5034    0.0000 C   0  0
    2.5898   -6.0034    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
 14 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
M  END
> <name>
Broad_2021

> <id>
33863

> <plate>
Plate_2

> <well>
E07

> <supplier_cmpd_name>
DL-threo-PDMP (hydrochloride)

> <ctcr_id>
8267

> <supplier_cmpd_id>
DL-threo-PDMP (hydrochloride)

> <smiles>
Cl.CCCCCCCCCC(=O)NC(CN1CCOCC1)C(O)c2ccccc2

> <pd_targets>
{MAPT,UGCG,RORC,KMT2A,MEN1,PMP22,BLM,NPSR1,GMNN,FTL,LMNA,MTOR,CYP2C19,NFKB1,TP53,CYP3A4,CYP2D6,HIF1A,CYP2C9}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Transcription factor","Epigenetic regulator",Transferase,"Nuclear receptor",Reader,"Nuclear hormone receptor subfamily 1",Bromodomain,"Nuclear hormone receptor subfa
mily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3","Unclassified protein","Membrane receptor","Other nuclear protein",Protease,"Family A G protein-coupled receptor",Kinase,"Cystei
ne protease","Peptide receptor (family A GPCR)","Protein Kinase","Cysteine protease CA clan","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Cysteine protease C1A family","Ne
uropeptide receptor","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily","Cytochrome P450","Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 2C",
"Cytochrome P450 family 3A","Cytochrome P450 family 2D","Cytochrome P450 2C19","Cytochrome P450 3A4","Cytochrome P450 2D6","Cytochrome P450 2C9"}

> <pathway_chembl>
{Enzymes,Receptors,"Ceramide turnover","Nuclear hormone receptors","Ceramide glucosyltransferase","1F. Retinoic acid-related orphans","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Neuropeptide
 S receptor",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily","Cytochrome P450","CYP2 family: drug metabolising subset","CYP3 family"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Gene expression (Transcription)","Transmission across Chemical Synapses","Metabolism of lipids","RNA Polymerase II Transcription","Neurotransmitter receptors and postsyn
aptic signal transmission","Sphingolipid metabolism","Generic Transcription Pathway","Activation of NMDA receptors and postsynaptic events","Glycosphingolipid metabolism","Transcriptional regulation b
y RUNX3","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","Activation of AMPK downstream of NMDARs","Developmental Biology","DNA Repair",Disease,"Cell Cycle"
,"Vesicle-mediated transport","Nervous system development","DNA Double-Strand Break Repair","Infectious disease",Mitotic,"Membrane Trafficking","EGR2 and SOX10-mediated initiation of Schwann cell myel
ination","Homology Directed Repair","Leishmania infection","Mitotic G1 phase and G1/S transition","trans-Golgi Network Vesicle Budding","M Phase","HDR through Homologous Recombination (HRR) or Single 
Strand Annealing (SSA)","Leishmania parasite growth and survival","G1/S Transition","Golgi Associated Vesicle Biogenesis","Mitotic Metaphase and Anaphase","Transcriptional Regulation by TP53","HDR thr
ough Homologous Recombination (HRR)","Anti-inflammatory response favouring Leishmania parasite infection","Activation of the pre-replicative complex","Mitotic Anaphase","Regulation of TP53 Activity","
Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Regulation of TP53 Expression and Degradation","Presynaptic ph
ase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","Immune System","Cellular responses to external stimuli","Biologic
al oxidations","Cytokine Signaling in Immune system","Cell Cycle Checkpoints","Cellular responses to stress","Phase I - Functionalization of compounds","Signaling by Interleukins","G1/S DNA Damage Che
ckpoints","Biosynthesis of specialized proresolving mediators (SPMs)","Cellular response to hypoxia","Cytochrome P450 - arranged by substrate type","Interleukin-1 family signaling","p53-Dependent G1/S
 DNA damage checkpoint","Biosynthesis of DHA-derived SPMs","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha",Xenobiotics,"Interleukin-1 signaling","p53-Dependent G1 DNA Damage
 Response","Biosynthesis of maresins","CYP2E1 reactions","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Stabilization of p53","Biosynthesis of maresin-like SPMs","Autodegradation of the E3 ubiquitin li
gase COP1"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"PDMP hydrochloride","D-threo-PDMP HCL","DthreoPDMP HCL",73257-80-4,73257804,"DL-threo-PDMP (hydrochloride)","DLthreoPDMP (hydrochloride)","RV 538",D-threo-1-phenyl-2-decanoylamino-3-morpholino-1-pro
panol,Dthreo1phenyl2decanoylamino3morpholino1propanol,L-threo-1-Phenyl-2-decanoylamino-3-morpholino-1-propanol,Lthreo1Phenyl2decanoylamino3morpholino1propanol,DL-threo-PDMP,DLthreoPDMP,Hydrochlorid,62
595,PDMP}

> <pdid>
PD003558

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{16760605}

$$$$
Broad_2021
  SciTegic11012413022D

 22 23  0  0  0  0            999 V2000
    1.7932   -8.3203    0.0000 C   0  0
    2.5451   -7.0223    0.0000 C   0  0
    1.7974   -5.7210    0.0000 O   0  0
    2.5497   -4.4224    0.0000 C   0  0
    4.0497   -4.4250    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.3484   -0.0185    0.0000 C   0  0
    3.3494    1.1005    0.0000 N   0  0
    4.8823   -2.5608    0.0000 C   0  0
    5.8846   -3.6767    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6923   -4.0811    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  8 11  1  0
 11 12  3  0
  7 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
 20 21  1  0
 21  6  1  0
 21 22  1  0
M  END
> <name>
Broad_2021

> <id>
33864

> <plate>
Plate_2

> <well>
G07

> <supplier_cmpd_name>
KH-CB19

> <ctcr_id>
8232

> <supplier_cmpd_id>
KH-CB19

> <smiles>
CCOC(=O)c1c(\C(=C/N)\C#N)c2ccc(Cl)c(Cl)c2n1C

> <pd_targets>
{DYRK1A,CLK3,CLK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase DYRK family","CMGC protein kinase CLK family","CMGC protein kinase Dyrk1 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CLK family","Dyrk1 subfamily"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Mitotic G1 phase and G1/S transition","G0 and Early G1"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HCB1,KH-CB19,KHCB19,"KH CB19",1354037-26-5,1354037265,V25,2wu7,GTPL8055,KH-CB-19,SCHEMBL21067714,3761AH,ZINC33295985,AKOS024458063,CS-4208,CS4208,DB08691,HY-12828,HY12828,J-006691,J006691,BRD-K016738
54-001-01-3,BRDK01673854001013,Q27466985,219511}

> <pdid>
PD003260

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{44237094}

$$$$
Broad_2021
  SciTegic11012413022D

 12 11  0  0  0  0            999 V2000
    7.7999   -1.5000    0.0000 N   0  0
    7.7999    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 S   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 B   0  0
    0.0007    0.0004    0.0000 O   0  0
    1.3000    2.2500    0.0000 O   0  0
    9.0999    0.7500    0.0000 C   0  0
    9.0999    2.2500    0.0000 O   0  0
   10.3992    0.0004    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  2 10  1  0
 10 11  1  0
 10 12  2  0
M  END
> <name>
Broad_2021

> <id>
33865

> <plate>
Plate_2

> <well>
A09

> <supplier_cmpd_name>
BEC (hydrochloride)

> <ctcr_id>
8268

> <supplier_cmpd_id>
BEC (hydrochloride)

> <smiles>
NC(CSCCB(O)O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{864286,88642-86-8,88642868,bec,"(2R)-2-amino-3-(2-boronoethylsulfanyl)propanoic acid","(2R)2amino3(2boronoethylsulfanyl)propanoic acid",NSC77838,HMS3743E15,NSC-77838,"Alanine,3-((2-boronoethyl)thio)-
(7ci)","Alanine,3((2boronoethyl)thio)(7ci)",DS-006407,DS006407,"(S)-2-Amino-3-(2-boronoethylthio)propanoic acid","(S)2Amino3(2boronoethylthio)propanoic acid",T6779,10170,"BEC HCl",BEC,"BEC (hydrochlor
ide)"}

> <pdid>
PD003427

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2306}

$$$$
Broad_2021
  SciTegic11012413022D

 35 38  0  0  1  0            999 V2000
    4.8349    4.1827    0.0000 C   0  0
    5.1200    2.7100    0.0000 C   0  0  2  0  0  0
    6.7500    2.3800    0.0000 C   0  0
    7.3600    0.8300    0.0000 C   0  0
    6.3600   -0.3500    0.0000 C   0  0
    5.0100    0.1100    0.0000 C   0  0  1  0  0  0
    4.7455    1.5865    0.0000 O   0  0
    3.8300   -0.8500    0.0000 C   0  0
    2.6000   -0.1400    0.0000 C   0  0
    1.4500   -0.6600    0.0000 C   0  0
    1.1049   -2.1198    0.0000 O   0  0
    0.7600    0.1900    0.0000 O   0  0
   -1.1700    0.4100    0.0000 C   0  0  2  0  0  0
   -0.4400    1.7500    0.0000 C   0  0  1  0  0  0
    1.2100    1.4700    0.0000 C   0  0
    2.4600    2.4200    0.0000 C   0  0
    3.9200    1.9200    0.0000 C   0  0
   -1.1800    3.0800    0.0000 C   0  0  2  0  0  0
   -0.4024    4.3627    0.0000 O   0  0
   -2.6700    3.1200    0.0000 C   0  0
   -3.3697    4.4468    0.0000 C   0  0
   -3.4900    1.8500    0.0000 C   0  0  1  0  0  0
   -4.9871    1.9429    0.0000 C   0  0
   -2.8100    0.4400    0.0000 C   0  0  1  0  0  0
   -3.1800   -1.0300    0.0000 C   0  0  2  0  0  0
   -4.6030   -1.5040    0.0000 C   0  0
   -5.7265   -0.5089    0.0000 C   0  0
   -7.1503   -0.9809    0.0000 C   0  0
   -8.2710    0.0161    0.0000 C   0  0
   -7.9680    1.4852    0.0000 C   0  0
   -6.5442    1.9573    0.0000 C   0  0
   -5.4235    0.9603    0.0000 C   0  0
   -2.0400   -1.9700    0.0000 N   0  0
   -0.7800   -1.1200    0.0000 C   0  0
    0.6218   -1.6538    0.0000 O   0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  6
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 13 12  1  1
 13 14  1  0
 14 15  1  6
 15 16  2  0
 16 17  1  0
 17  2  1  0
 14 18  1  0
 18 19  1  1
 18 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  6
 24 22  1  6
 24 13  1  0
 24 25  1  0
 25 26  1  1
 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
 25 33  1  0
 33 34  1  0
 34 13  1  0
 34 35  2  0
M  END
> <name>
Broad_2021

> <id>
33866

> <plate>
Plate_2

> <well>
C09

> <supplier_cmpd_name>
cytochalasin B

> <ctcr_id>
8298

> <supplier_cmpd_id>
cytochalasin B

> <smiles>
C[C@@H]1CCC[C@@H](O)/C=C/C(=O)O[C@]23[C@@H](\C=C\C1)[C@H](O)C(=C)[C@@H](C)[C@H]2[C@H](Cc4ccccc4)NC3=O

> <pd_targets>
{TGR,ITGAL,LMNA,MAPK1}

> <pathway_gtopdb>
{Enzyme,Adhesion,"Other nuclear protein",Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

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

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","Immune System","RNA Polymerase II Transcription",Mitotic,"Innate Immune System","Generic Transcription Pathway","M Phase","Toll-like Receptor Cascades"
,"Transcriptional regulation by RUNX3","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","RUNX3 Regulates Immune Response and Cell Migration","Mitotic Anaphase","MyD88 cascade ini
tiated on plasma membrane","Nuclear Envelope (NE) Reassembly","MAP kinase activation","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK
 targets","ERKs are inactivated"}

> <broad_targets>
{ACTB}

> <broad_moa>
{"microtubule inhibitor"}

> <synonyms>
{"CYTOCHALASIN B",Phomin,14930-96-2,14930962,cytochalasin-B,cytochalasinB,UNII-3CHI920QS7,UNII3CHI920QS7,CHEBI:23527,C29H37NO5,MLS000028816,3CHI920QS7,MFCD00077704,SMR000058787,"Cytochalasin B from Dr
echslera dematioidea","Cytochalasin beta,helminthosporium dematioideum",MLS00270,C6762,"cytochalasin B"}

> <pdid>
PD003482

> <targets>
{Arp2/3 Complex}

> <classes>
{Cytoskeleton}

> <pubchem_cids>
{5311281}

$$$$
Broad_2021
  SciTegic11012413022D

 24 26  0  0  0  0            999 V2000
   -0.0436   -3.3826    0.0000 C   0  0
    1.3786   -3.8595    0.0000 C   0  0
    1.8372   -5.2877    0.0000 C   0  0
    3.3372   -5.2929    0.0000 C   0  0
    4.2111   -6.5099    0.0000 C   0  0
    5.7037   -6.3609    0.0000 O   0  0
    3.5939   -7.8779    0.0000 C   0  0
    4.4693   -9.0970    0.0000 N   0  0
    3.9880  -10.5042    0.0000 C   0  0
    2.5572  -10.9543    0.0000 O   0  0
    5.1985  -11.3901    0.0000 C   0  0
    6.4151  -10.5127    0.0000 C   0  0
    5.9565   -9.0845    0.0000 C   0  0
    6.8352   -7.8688    0.0000 O   0  0
    3.8056   -3.8679    0.0000 C   0  0
    5.2311   -3.4009    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  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  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 13 14  2  0
  4 15  2  0
 15 16  1  0
 15 17  1  0
 17  2  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  END
> <name>
Broad_2021

> <id>
33867

> <plate>
Plate_2

> <well>
E09

> <supplier_cmpd_name>
ML031

> <ctcr_id>
8259

> <supplier_cmpd_id>
ML031

> <smiles>
Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc3ccccc3

> <pd_targets>
{RORC,TSHR,S1PR2,ALDH1A1,FTL}

> <pathway_gtopdb>
{"Transcription factor","Membrane receptor",Enzyme,"Unclassified protein","Nuclear receptor","Family A G protein-coupled receptor",Oxidoreductase,"Nuclear hormone receptor subfamily 1","Peptide recept
or (family A GPCR)","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Glycohormone receptor","Lipid-like ligand receptor (family A GPCR)","Nuclear hormone recep
tor subfamily 1 group F member 3","EDG receptor"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","G protein-coupled receptors","1F. Retinoic acid-related orphans","Glycoprotein hormone receptors","Lysophospholipid (S1P) receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Signal Transduction",Metabolism,"Vesicle-mediated transport","RNA Polymerase II Transcription","Infectious disease","Signaling by GPCR","Biological oxidatio
ns","Membrane Trafficking","Generic Transcription Pathway","Leishmania infection","GPCR ligand binding","Phase I - Functionalization of compounds","trans-Golgi Network Vesicle Budding","Transcriptiona
l regulation by RUNX3","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","Ethanol oxidation","Golgi Associated Vesicle Biogenesis","RUNX3 Regulates Immune Response and C
ell Migration","Anti-inflammatory response favouring Leishmania parasite infection","Lysosphingolipid and LPA receptors","ADORA2B mediated anti-inflammatory cytokines production"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{5223033,852230-33-2,852230332,ML031,ML-031,"1-(2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl)pyrrolidine-2,5-dione","1(2(1benzyl2,5dimethylpyrrol3yl)2oxoethyl)pyrrolidine2,5dione",SMR000068650,MLS0
00057725,CHEMBL1404553,SCHEMBL17385567,BDBM41648,CHEBI:92682,cid_2113511,cid2113511,cid-2113511,"cid 2113511",AOB1443,HMS1753L14,HMS2375P22,CYM-5482,CYM5482,ZINC2650319,AK,15171}

> <pdid>
PD003671

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{2113511}

$$$$
Broad_2021
  SciTegic11012413022D

 25 28  0  0  0  0            999 V2000
    2.5532   -4.4223    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 N   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -0.7624   -8.0525    0.0000 C   0  0
   -1.7662   -9.1671    0.0000 C   0  0
   -3.2334   -8.8550    0.0000 C   0  0
   -3.6967   -7.4283    0.0000 C   0  0
   -2.6928   -6.3138    0.0000 N   0  0
   -2.1574   -3.7721    0.0000 C   0  0
   -3.1610   -4.8870    0.0000 C   0  0
   -4.6283   -4.5754    0.0000 C   0  0
   -5.0921   -3.1489    0.0000 C   0  0
   -6.5594   -2.8373    0.0000 Cl  0  0
   -4.0886   -2.0340    0.0000 C   0  0
   -2.6214   -2.3456    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10  2  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 11 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
M  END
> <name>
Broad_2021

> <id>
33868

> <plate>
Plate_2

> <well>
G09

> <supplier_cmpd_name>
CCT036477

> <ctcr_id>
8301

> <supplier_cmpd_id>
CCT036477

> <smiles>
Cc1[nH]c2ccccc2c1C(Nc3ccccn3)c4ccc(Cl)cc4

> <pd_targets>
{VDR}

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

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1I. Vitamin D receptor-like receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Post-translational protein modification",SUMOylation,"SUMO E3 ligases SUMOylate target proteins","SUMOylation of intracellular receptors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{N-((4-chlorophenyl)-(2-methyl-1H-indol-3-yl)methyl)-2-pyridinamine,N((4chlorophenyl)(2methyl1Hindol3yl)methyl)2pyridinamine,CCT036477,305372-78-5,305372785,N-((4-chlorophenyl)-(2-methyl-1H-indol-3-yl
)methyl)pyridin-2-amine,N((4chlorophenyl)(2methyl1Hindol3yl)methyl)pyridin2amine,F0388-0065,F03880065,N-((4-chlorophenyl)(2-methyl-1H-indol-3-yl)methyl)pyridin-2-amine,Oprea1_32829,Oprea132829,Oprea1-
32829,"Oprea1 32829",SML0151}

> <pdid>
PD003698

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{3634881}

$$$$
Broad_2021
  SciTegic11012413022D

 44 47  0  0  0  0            999 V2000
   -3.9323   -9.7235    0.0000 C   0  0
   -2.6374  -10.4807    0.0000 O   0  0
   -1.3331   -9.7383    0.0000 C   0  0
   -1.3269   -8.2383    0.0000 C   0  0
   -0.0248   -7.4935    0.0000 C   0  0
   -0.0156   -5.9927    0.0000 N   0  0
    1.2883   -5.2495    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
    5.1932   -3.0130    0.0000 F   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1781   -0.0305    0.0000 C   0  0
   -3.8619    2.2496    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.2935   -3.7495    0.0000 N   0  0
    1.2712   -8.2490    0.0000 C   0  0
    1.2650   -9.7490    0.0000 C   0  0
    2.5632  -10.5020    0.0000 O   0  0
    3.8643   -9.7555    0.0000 C   0  0
   -0.0371  -10.4936    0.0000 C   0  0
   -0.0464  -11.9944    0.0000 O   0  0
   -1.3495  -12.7372    0.0000 C   0  0
   11.5912   -4.8662    0.0000 O   0  0
   11.5917   -3.3662    0.0000 S   0  0
   12.8912   -2.6170    0.0000 O   0  0
   12.8904   -4.1168    0.0000 O   0  0
   10.2919   -2.6158    0.0000 C   0  0
   10.2919   -1.1157    0.0000 C   0  0
    8.9929   -0.3658    0.0000 C   0  0
    7.6938   -1.1158    0.0000 C   0  0
    7.6938   -2.6158    0.0000 C   0  0
    8.9929   -3.3658    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 17  1  0
 25 26  2  0
 26 14  1  0
 12 27  2  0
 27  7  1  0
  5 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 29 32  2  0
 32  3  1  0
 32 33  1  0
 33 34  1  0
 35 36  1  0
 36 37  2  0
 36 38  2  0
 36 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
M  END
> <name>
Broad_2021

> <id>
33869

> <plate>
Plate_2

> <well>
A11

> <supplier_cmpd_name>
R406

> <ctcr_id>
866

> <supplier_cmpd_id>
R406

> <smiles>
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC.O[S](=O)(=O)c5ccccc5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{R406,841290-81-1,841290811,"R406 besylate","R406 Benzenesulfonate","Tamatinib besylate","841290-81-1 (besylate)","841290811 (besylate)","R-406 besylate","R 406 cpd",C25H23FN6O5S,SCHEMBL1222514,DTXSID
80475212,HMS3651M14,BCP14809,EX-A103-1,EXA1031,MFCD18385012,s2194,AM81252,CCG-270282,CCG270282,CS-0229,CS0229,T6174,S2194,S1533,"tamatinib (R406)","R406(free base)"}

> <pdid>

> <targets>
{Syk,Flt,FLT3}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{11984591}

$$$$
Broad_2021
  SciTegic11012413022D

 16 16  0  0  1  0            999 V2000
   -7.2216  -10.1965    0.0000 C   0  0
   -5.9242   -9.4437    0.0000 C   0  0
   -5.9265   -7.9429    0.0000 C   0  0
   -4.6283   -7.1897    0.0000 C   0  0
   -4.6306   -5.6889    0.0000 C   0  0
   -3.3324   -4.9357    0.0000 C   0  0
   -3.3347   -3.4349    0.0000 C   0  0
   -2.0366   -2.6817    0.0000 C   0  0
   -2.0388   -1.1808    0.0000 C   0  0
   -3.3392   -0.4332    0.0000 O   0  0
   -0.7500   -0.4330    0.0000 C   0  0  1  0  0  0
    0.7500   -0.4330    0.0000 O   0  0
    0.0000    0.8660    0.0000 C   0  0  1  0  0  0
   -0.0032    2.3561    0.0000 C   0  0
    1.2944    3.1085    0.0000 N   0  0
   -1.3034    3.1041    0.0000 O   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  1  0
  8  9  1  0
  9 10  2  0
 11  9  1  6
 11 12  1  0
 12 13  1  0
 13 11  1  0
 13 14  1  6
 14 15  1  0
 14 16  2  0
M  END
> <name>
Broad_2021

> <id>
33870

> <plate>
Plate_2

> <well>
C11

> <supplier_cmpd_name>
Cerulenin

> <ctcr_id>
8250

> <supplier_cmpd_id>
Cerulenin

> <smiles>
C\C=C\C\C=C\CCC(=O)[C@H]1O[C@H]1C(N)=O

> <pd_targets>
{ALDH1A1,MAPT,F13A1,FASN,THRB,POL,FABB,FABF,FABH}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Transcription factor",Oxidoreductase,Aminoacyltransferase,Transferase,"Nuclear receptor",Protease,"Protein-glutamine glutamyl-transferase","Nuclear hormone receptor 
subfamily 1","Aspartic protease","Nuclear hormone receptor subfamily 1 group A","Aspartic protease AA clan","Nuclear hormone receptor subfamily 1 group A member 2","Aspartic protease A2A subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"2.3.1.-  Acyltransferases","Nuclear hormone receptors","1A. Thyroid hormone receptors"}

> <pathway_reactome>
{Metabolism,"Neuronal System",Hemostasis,"Metabolism of proteins","Biological oxidations","Transmission across Chemical Synapses","Platelet activation","signaling and aggregation","Metabolism of lipid
s","Post-translational protein modification","Phase I - Functionalization of compounds","Neurotransmitter receptors and postsynaptic signal transmission","Response to elevated platelet cytosolic Ca2+"
,"Metabolism of steroids",SUMOylation,"Ethanol oxidation","Activation of NMDA receptors and postsynaptic events","Platelet degranulation","Regulation of cholesterol biosynthesis by SREBP (SREBF)","SUM
O E3 ligases SUMOylate target proteins","Post NMDA receptor activation events","Activation of gene expression by SREBF (SREBP)","SUMOylation of intracellular receptors","Activation of AMPK downstream 
of NMDARs"}

> <broad_targets>
{FASN}

> <broad_moa>
{"fatty acid synthase inhibitor"}

> <synonyms>
{cerulenin,17397-89-6,17397896,Helicocerin,UNII-MF286Y830Q,UNIIMF286Y830Q,"(2R,3S)-3-((4E,7E)-nona-4,7-dienoyl)oxirane-2-carboxamide","(2R,3S)3((4E,7E)nona4,7dienoyl)oxirane2carboxamide","2,3-Epoxy-4-
oxo-7,10-dodecadienamide","2,3Epoxy4oxo7,10dodecadienamide",CHEMBL45627,CHEBI:171741,MF286Y830Q,MFCD00077686,(2R,3S)-3-((4E,3S)3((4E,7E)-Nona-4,7E)Nona4,7-dienoyl)-oxirane-2-,7dienoyl)oxirane2,1000564
7,Cerulenin}

> <pdid>
PD003433

> <targets>
{Antibiotic,Fatty Acid Synthase (FASN),Fungal}

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

> <pubchem_cids>
{5282054}

$$$$
Broad_2021
  SciTegic11012413022D

 32 35  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -3.8813    1.4408    0.0000 C   0  0
   -5.0460    2.3579    0.0000 S   0  0
   -6.2823    1.5084    0.0000 C   0  0
   -7.6946    2.0087    0.0000 C   0  0
   -9.1085    2.5096    0.0000 N   0  0
   -5.8565    0.0701    0.0000 C   0  0
   -6.7662   -1.1203    0.0000 O   0  0
   -6.1900   -2.5061    0.0000 C   0  0
   -7.1014   -3.6986    0.0000 C   0  0
   -8.5886   -3.5028    0.0000 C   0  0
   -9.5018   -4.6927    0.0000 C   0  0
   -8.9279   -6.0786    0.0000 C   0  0
   -7.4407   -6.2745    0.0000 C   0  0
   -6.5275   -5.0845    0.0000 C   0  0
   -5.0395   -5.2806    0.0000 S   0  0
   -4.1266   -4.0904    0.0000 C   0  0
   -4.4648   -6.6661    0.0000 O   0  0
   -3.5523   -5.4758    0.0000 O   0  0
   -4.3570    0.0307    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  3  0
 11 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 23 26  2  0
 14 27  1  0
 27  9  2  0
  8 28  1  0
 28  5  2  0
 28 29  1  0
 29 30  2  0
 30  3  1  0
 30 31  1  0
 31 32  1  0
M  END
> <name>
Broad_2021

> <id>
33871

> <plate>
Plate_2

> <well>
E11

> <supplier_cmpd_name>
CAY10576

> <ctcr_id>
1660

> <supplier_cmpd_id>
CAY10576

> <smiles>
COc1cc2ncn(c3sc(C#N)c(OCc4ccccc4[S](C)(=O)=O)c3)c2cc1OC

> <pd_targets>
{PLK1,IKBKE,TBK1}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","Other protein kinases","Polo-like kinase (PLK) family","IKK family"}

> <pathway_reactome>
{"Cell Cycle","Immune System",Mitotic,"Innate Immune System","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","G2/M Transition","Toll Like Receptor 4 (TLR4) Cascade","Centrosome maturation","MyD
88-independent TLR4 cascade","Loss of proteins required for interphase microtubule organization from the centrosome","TRIF(TICAM1)-mediated TLR4 signaling","Loss of Nlp from mitotic centrosomes","Acti
vation of IRF3/IRF7 mediated by TBK1/IKK epsilon"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"IKK-3 Inhibitor","IKK3 Inhibitor",862812-98-4,862812984,GSK319347A,CAY10576,GSK-319347A,"IKK-3 Inhibitor IX","IKK3 Inhibitor IX",MLS006010828,CHEMBL373751,SCHEMBL3413628,BDBM27452,CHEBI:91459,DTXSID
30469666,HMS3229F19,HMS3303L12,HMS3305M09,BCP24906,"GSK 319347A",1798AH,NSC756172,ZINC19795634,A,10011249,"EMD 401488",401488}

> <pdid>
PD003436

> <targets>
{"IKK-3 Inhibitor IX"}

> <classes>
{}

> <pubchem_cids>
{11626927}

$$$$
Broad_2021
  SciTegic11012413022D

 18 19  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1969    1.5004    0.0000 C   0  0
   -6.4959    2.2504    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1969   -1.5004    0.0000 C   0  0
   -6.4959   -2.2504    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15  8  1  0
 15 16  2  0
 16  5  1  0
 13 17  1  0
 17 18  3  0
M  END
> <name>
Broad_2021

> <id>
33872

> <plate>
Plate_2

> <well>
G11

> <supplier_cmpd_name>
BRD9876

> <ctcr_id>
8311

> <supplier_cmpd_id>
BRD9876

> <smiles>
CC(C)(C)c1ccc2cc(C#N)c(cc2c1)C#N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{KIF11}

> <broad_moa>
{"kinesin inhibitor"}

> <synonyms>
{270382,32703-82-5,32703825,"6-(tert-butyl)naphthalene-2,3-dicarbonitrile","6(tertbutyl)naphthalene2,3dicarbonitrile","6-tert-Butyl-2,3-naphthalenedicarbonitrile","6tertButyl2,3naphthalenedicarbonitri
le","6-tert-butylnaphthalene-2,3-dicarbonitrile","6tertbutylnaphthalene2,3dicarbonitrile",BRD9876,"BRD 9876",MFCD00209558,ACMC-20alxn,ACMC20alxn,Maybridge4_000492,Maybridge4000492,Maybridge4-000492,"M
aybridge4 000492",SCHEMBL1893774,CHEMBL4303295,CHEBI,5454,425265}

> <pdid>
PD003629

> <targets>
{Kinesin,Microtubule/Tubulin}

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

> <pubchem_cids>
{613000}

$$$$
Broad_2021
  SciTegic11012413022D

 36 40  0  0  1  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    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  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   -0.7500    0.0000 C   0  0  1  0  0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0  2  0  0  0
   -3.8971    0.7500    0.0000 C   0  0  1  0  0  0
   -5.3229    1.2135    0.0000 C   0  0  1  0  0  0
   -5.7863    2.6401    0.0000 C   0  0
   -6.2045    0.0000    0.0000 O   0  0
   -5.3229   -1.2135    0.0000 C   0  0
   -5.7862   -2.6402    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0  1  0  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
   -5.2041    6.0003    0.0000 C   0  0
   -5.2042    7.5003    0.0000 C   0  0
   -3.9052    8.2503    0.0000 C   0  0
   -2.6061    7.5003    0.0000 C   0  0
   -2.6061    6.0003    0.0000 N   0  0
   -3.9052    9.7510    0.0000 C   0  0
   -5.2031   10.5032    0.0000 C   0  0
   -5.2007   12.0032    0.0000 C   0  0
   -3.9005   12.7512    0.0000 C   0  0
   -2.6027   11.9991    0.0000 C   0  0
   -1.3025   12.7471    0.0000 F   0  0
   -2.6050   10.4991    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  1
  7  8  1  0
  8  9  1  0
 10  9  1  6
 10 11  1  0
 11 12  1  1
 12  7  1  0
 11 13  1  0
 14 13  1  1
 15 14  1  1
 15 16  1  0
 16 17  1  6
 16 18  1  0
 18 19  1  0
 19 14  1  0
 19 20  2  0
 15 21  1  0
 21 10  1  0
 21 22  1  1
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 27 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 34 36  2  0
 36 30  1  0
M  END
> <name>
Broad_2021

> <id>
33873

> <plate>
Plate_2

> <well>
A13

> <supplier_cmpd_name>
Vorapaxar

> <ctcr_id>
8192

> <supplier_cmpd_id>
Vorapaxar

> <smiles>
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]3[C@@H]([C@@H](C)OC3=O)[C@H]2\C=C\c4ccc(cn4)c5cccc(F)c5

> <pd_targets>
{F2R}

> <pathway_gtopdb>
{"Membrane receptor","Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Protease-activated receptor"}

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

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR ligand binding","Class A/1 (Rhodopsin-like receptors)","Peptide ligand-binding receptors"}

> <broad_targets>
{F2R}

> <broad_moa>
{"thrombin inhibitor"}

> <synonyms>
{Vorapaxar,618385-01-6,618385016,Zontivity,"Sch 530348",SCH-530348,SCH530348,"Vorapaxar free base",UNII-ZCE93644N2,UNIIZCE93644N2,MK-5348,MK5348,CHEMBL493982,CHEBI:82702,ZCE93644N2,"705260-08-8 (sulfa
te)","705260088 (sulfate)","618385-01-6 (free base)","618385016 (free base)","Vorapaxar (USAN:INN)",an-6-yl)carbamate,an6yl)carbamate,Vorap,T7013,T3098,1755,S8067,"Vorapaxar sulfate",vorapaxar,"SCH 53
0348"}

> <pdid>
PD003611

> <targets>
{Protease-activated Receptor,Protease-Activated Receptor (PAR)}

> <classes>
{GPCR & G Protein,GPCR/G Protein}

> <pubchem_cids>
{10077130}

$$$$
Broad_2021
  SciTegic11012413022D

 30 33  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.1253   -4.3743    0.0000 N   0  0
   -6.5925   -4.6865    0.0000 C   0  0
   -7.0558   -6.1132    0.0000 C   0  0
   -6.0519   -7.2277    0.0000 O   0  0
   -4.5847   -6.9156    0.0000 C   0  0
   -4.1214   -5.4890    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -2.1885    3.7539    0.0000 O   0  0
   -4.6589    2.9478    0.0000 C   0  0
   -5.6590    1.8298    0.0000 C   0  0
   -7.1272    2.1368    0.0000 C   0  0
   -7.5955    3.5619    0.0000 C   0  0
   -6.5954    4.6799    0.0000 C   0  0
   -7.0636    6.1049    0.0000 Cl  0  0
   -5.1272    4.3728    0.0000 C   0  0
   -4.1272    5.4909    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 10 19  1  0
 19  6  1  0
 19 20  2  0
 20  3  1  0
  7 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 23  1  0
 29 30  1  0
M  END
> <name>
Broad_2021

> <id>
33874

> <plate>
Plate_2

> <well>
C13

> <supplier_cmpd_name>
GW 405833

> <ctcr_id>
8314

> <supplier_cmpd_id>
GW 405833

> <smiles>
COc1ccc2n(c(C)c(CCN3CCOCC3)c2c1)C(=O)c4cccc(Cl)c4Cl

> <pd_targets>
{LEF,HPGD,TP53,FFP,ALOX15,CYP3A4,TSHR,CNR2,CNR1,MTOR}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Membrane receptor",Protease,Transferase,Oxidoreductase,"Cytochrome P450","Family A G protein-coupled receptor",Kinase,"Metallo protease","Cysteine protease","Cytochrome
 P450 family 3","Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Protein Kinase","Metallo protease MAE clan","Cysteine protease CA clan","Cytochrome P450 family 3A","Glyco
hormone receptor","Lipid-like ligand receptor (family A GPCR)","Atypical protein kinase group","Metallo protease M34 family","Cysteine protease C1A family","Cytochrome P450 3A4","Cannabinoid receptor"
,"Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","Cytochrome P450","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Prostaglandin synthases",Lipoxygenases,"CYP3 family","Glycoprotein hormone receptors","
Cannabinoid receptors",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{Disease,Metabolism,"Cell Cycle","Signal Transduction","Gene expression (Transcription)","Infectious disease","Metabolism of lipids","Cell Cycle Checkpoints","Signaling by GPCR","RNA Polymerase II Tra
nscription","Uptake and actions of bacterial toxins","Biosynthesis of specialized proresolving mediators (SPMs)","G1/S DNA Damage Checkpoints","Leishmania infection","GPCR downstream signalling","Gene
ric Transcription Pathway","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Biosynthesis of DPA-derived SPMs","Leishmania parasite
 growth and survival","G alpha (i) signalling events","Transcriptional Regulation by TP53","Biosynthesis of D-series resolvins","p53-Dependent G1 DNA Damage Response","Biosynthesis of DPAn-3 SPMs","Bi
osynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of TP53 Activity","Stabilization of p53","Biosynthesis of DPAn-3-derived protectins and resolvi
ns","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Autodegradation of the E3 ubiquitin ligase COP1","Reg
ulation of TP53 Degradation"}

> <broad_targets>
{CNR2}

> <broad_moa>
{"cannabinoid receptor agonist"}

> <synonyms>
{8000283,180002-83-9,180002839,GW-405833,GW405833,L-768242,L768242,"gw 405833",UNII-85K154W99L,UNII85K154W99L,CHEMBL73711,"GW-405,833","GW405,833","1-(2,3-Dichlorobenzoyl)-5-methoxy-2-methyl-3-(2-morp
holinoethyl)-1H-indole","1(2,3Dichlorobenzoyl)5methoxy2methyl3(2morpholinoethyl)1Hindole",85K154W99L,"L-768,242","L768,242","GW405833 hydrochloride",J2.981.899A,SCHEMBL430254,2374,"GW 405833"}

> <pdid>
PD003540

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{9911463}

$$$$
Broad_2021
  SciTegic11012413022D

 44 45  0  0  1  0            999 V2000
    0.3616   -2.3708    0.0000 C   0  0
   -0.7754   -1.3924    0.0000 O   0  0
   -0.4984    0.0754    0.0000 C   0  0  1  0  0  0
   -1.2162    1.3168    0.0000 C   0  0
   -2.6280    1.5907    0.0000 C   0  0
   -2.7631    3.0393    0.0000 C   0  0
   -3.9483    3.8428    0.0000 C   0  0
   -5.3505    3.3100    0.0000 C   0  0
   -3.5850    5.2732    0.0000 C   0  0
   -4.2960    6.5241    0.0000 C   0  0  2  0  0  0
   -5.7887    6.6721    0.0000 C   0  0
   -3.3095    7.6610    0.0000 C   0  0  2  0  0  0
   -3.8449    9.0622    0.0000 O   0  0
   -1.7645    7.4650    0.0000 C   0  0  2  0  0  0
   -0.9754    8.7407    0.0000 C   0  0
   -0.8960    6.1654    0.0000 C   0  0
    0.6437    6.3230    0.0000 C   0  0
    1.0081    7.2542    0.0000 C   0  0
    1.6802    5.1479    0.0000 C   0  0
    1.3155    3.6613    0.0000 C   0  0
   -0.1809    3.7692    0.0000 O   0  0
   -0.8362    5.1185    0.0000 C   0  0
    2.4548    2.5818    0.0000 C   0  0
    3.4132    2.8672    0.0000 O   0  0
    2.1003    1.0908    0.0000 O   0  0
    0.6545    1.0143    0.0000 C   0  0  2  0  0  0
    0.1264    2.4253    0.0000 C   0  0  1  0  0  0
   -1.3532    2.6721    0.0000 C   0  0
    1.0800    3.5841    0.0000 C   0  0  1  0  0  0
    0.5531    4.9885    0.0000 O   0  0
    2.5553    3.8598    0.0000 C   0  0  2  0  0  0
    3.5308    2.7203    0.0000 C   0  0
    3.0551    5.2750    0.0000 C   0  0  1  0  0  0
    2.4053    6.0350    0.0000 O   0  0
    3.9891    4.1274    0.0000 C   0  0
    5.4638    4.4018    0.0000 C   0  0  1  0  0  0
    6.1137    3.6418    0.0000 O   0  0
    5.9635    5.8161    0.0000 C   0  0  2  0  0  0
    7.4382    6.0904    0.0000 C   0  0
    4.9886    6.9560    0.0000 C   0  0  2  0  0  0
    3.5139    6.6817    0.0000 O   0  0
    5.4915    8.3701    0.0000 C   0  0
    6.9666    8.6423    0.0000 C   0  0
    4.5185    9.5117    0.0000 C   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  1  6
 12 14  1  0
 14 15  1  6
 14 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  2  0
 23 25  1  0
 26 25  1  1
 26  3  1  0
 26 27  1  0
 27 28  1  1
 27 29  1  0
 29 30  1  1
 29 31  1  0
 31 32  1  1
 31 33  1  0
 33 34  1  1
 33 35  1  0
 35 36  1  0
 36 37  1  6
 36 38  1  0
 38 39  1  1
 38 40  1  0
 40 41  1  0
 41 33  1  0
 40 42  1  6
 42 43  1  0
 42 44  1  0
M  END
> <name>
Broad_2021

> <id>
33875

> <plate>
Plate_2

> <well>
E13

> <supplier_cmpd_name>
bafilomycin A1

> <ctcr_id>
8253

> <supplier_cmpd_id>
bafilomycin A1

> <smiles>
CO[C@H]1\C=C\C=C(/C)C[C@H](C)[C@H](O)[C@H](C)\C=C(C)\C=C(/OC)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]2(O)C[C@@H](O)[C@H](C)[C@H](O2)C(C)C

> <pd_targets>
{ATP6AP1,VATB,ADORA3,P2RX3,ATP6V1A}

> <pathway_gtopdb>
{Transporter,Enzyme,"Membrane receptor","Ion channel","Unclassified protein","Primary active transporter","Family A G protein-coupled receptor","Ligand-gated ion channel","F-type and V-type ATPases","
Small molecule receptor (family A GPCR)","P2X receptor","V-type ATPase","Nucleotide-like receptor (family A GPCR)","Adenosine receptor"}

> <pathway_chembl>
{Receptors,"Ion channels",Transporters,"G protein-coupled receptors","Ligand-gated ion channels","F-type and V-type ATPases","Adenosine receptors","P2X receptors","V-type ATPase"}

> <pathway_reactome>
{"Signal Transduction",Hemostasis,"Signaling by Receptor Tyrosine Kinases","Signaling by GPCR","Platelet homeostasis","Signaling by Insulin receptor","GPCR ligand binding","Platelet calcium homeostasi
s","Insulin receptor recycling","Class A/1 (Rhodopsin-like receptors)","Elevation of cytosolic Ca2+ levels","Nucleotide-like (purinergic) receptors","Adenosine P1 receptors"}

> <broad_targets>
{}

> <broad_moa>
{"ATPase inhibitor"}

> <synonyms>
{88899-55-2,88899552,"88899 55 2",MFCD06795130,CHEMBL290814,CHEBI:22689,Bafilomycin,NSC381866,"Bafilomycin A1/","Bafilomycin A1 from Streptomyces griseus",BSPBio_001470,BSPBio001470,BSPBio-001470,"BSP
Bio 001470",MEGxm0_000385,MEGxm0000385,MEGxm0-000385,"MEGxm0 000385",MEGxm000038,11038,"bafilomycin A1"}

> <pdid>
PD007277

> <targets>
{Antibiotic,Apoptosis,Autophagy,Bacterial,Proton Pump}

> <classes>
{Anti-infection,Apoptosis,Autophagy,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{6436223}

$$$$
Broad_2021
  SciTegic11012413022D

 28 31  0  0  0  0            999 V2000
    2.5859  -11.7614    0.0000 Br  0  0
    3.4693  -10.5491    0.0000 C   0  0
    4.9609  -10.7080    0.0000 C   0  0
    5.8443   -9.4958    0.0000 C   0  0
    5.2362   -8.1245    0.0000 C   0  0
    6.1176   -6.9098    0.0000 C   0  0
    5.5083   -5.5410    0.0000 C   0  0
    4.0404   -5.2322    0.0000 S   0  0
    3.8995   -3.7516    0.0000 C   0  0
    5.2496   -3.1278    0.0000 N   0  0
    6.2556   -4.2405    0.0000 C   0  0
    7.7471   -4.0806    0.0000 O   0  0
    2.5997   -3.0012    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8976   -0.7500    0.0000 O   0  0
    3.8982   -2.2498    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.7446   -7.9657    0.0000 C   0  0
    2.8612   -9.1779    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11  7  1  0
 11 12  2  0
  9 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  2  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 17  1  0
 26 21  1  0
  5 27  1  0
 27 28  2  0
 28  2  1  0
M  END
> <name>
Broad_2021

> <id>
33876

> <plate>
Plate_2

> <well>
G13

> <supplier_cmpd_name>
pitstop2

> <ctcr_id>
8310

> <supplier_cmpd_id>
pitstop2

> <smiles>
Brc1ccc(C=C2SC(=NC2=O)NS(=O)(=O)c3cccc4ccccc34)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CULE397765605,MCULE-3977656058,MCULE3977656058,SML1169-5MG,pitstop2}

> <pdid>
PD003623

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{136251526}

$$$$
Broad_2021
  SciTegic11012413022D

 18 19  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1969    1.5004    0.0000 C   0  0
   -6.4959    2.2504    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1969   -1.5004    0.0000 C   0  0
   -6.4959   -2.2504    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15  8  1  0
 15 16  2  0
 16  5  1  0
 13 17  1  0
 17 18  3  0
M  END
> <name>
Broad_2021

> <id>
33877

> <plate>
Plate_2

> <well>
A15

> <supplier_cmpd_name>
BRD9876

> <ctcr_id>
8311

> <supplier_cmpd_id>
BRD9876

> <smiles>
CC(C)(C)c1ccc2cc(C#N)c(cc2c1)C#N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{KIF11}

> <broad_moa>
{"kinesin inhibitor"}

> <synonyms>
{270382,32703-82-5,32703825,"6-(tert-butyl)naphthalene-2,3-dicarbonitrile","6(tertbutyl)naphthalene2,3dicarbonitrile","6-tert-Butyl-2,3-naphthalenedicarbonitrile","6tertButyl2,3naphthalenedicarbonitri
le","6-tert-butylnaphthalene-2,3-dicarbonitrile","6tertbutylnaphthalene2,3dicarbonitrile",BRD9876,"BRD 9876",MFCD00209558,ACMC-20alxn,ACMC20alxn,Maybridge4_000492,Maybridge4000492,Maybridge4-000492,"M
aybridge4 000492",SCHEMBL1893774,CHEMBL4303295,CHEBI,5454,425265}

> <pdid>
PD003629

> <targets>
{Kinesin,Microtubule/Tubulin}

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

> <pubchem_cids>
{613000}

$$$$
Broad_2021
  SciTegic11012413022D

 45 48  0  0  1  0            999 V2000
   -1.7375    3.7060    0.0000 C   0  0
   -0.4369    2.9586    0.0000 C   0  0
   -0.4329    1.4578    0.0000 C   0  0  1  0  0  0
   -1.9095    1.1939    0.0000 C   0  0
    0.5342    0.3101    0.0000 C   0  0  2  0  0  0
    0.5342   -1.1899    0.0000 N   0  0
    1.8342   -1.9399    0.0000 C   0  0
    1.8342   -3.4399    0.0000 O   0  0
    3.1342   -1.1899    0.0000 C   0  0  2  0  0  0
    4.1013   -2.3376    0.0000 C   0  0
    3.5917   -3.7493    0.0000 C   0  0
    2.1576   -4.1434    0.0000 C   0  0
    2.1065   -5.6425    0.0000 N   0  0
    0.6523   -6.0034    0.0000 O   0  0
    0.2364   -7.4446    0.0000 C   0  0
    3.5158   -6.1539    0.0000 C   0  0
    4.0788   -7.5442    0.0000 C   0  0
    5.5644   -7.7518    0.0000 C   0  0
    6.4869   -6.5691    0.0000 C   0  0
    5.9239   -5.1787    0.0000 C   0  0
    4.4383   -4.9712    0.0000 C   0  0
    4.4342   -1.9399    0.0000 N   0  0
    5.7342   -1.1899    0.0000 C   0  0
    7.0331   -1.9401    0.0000 O   0  0
    5.7342    0.3101    0.0000 C   0  0  2  0  0  0
    7.2127    0.5677    0.0000 C   0  0
    7.7240   -0.8433    0.0000 C   0  0
    9.2015   -1.1070    0.0000 C   0  0
    9.7128   -2.5180    0.0000 C   0  0
   11.1903   -2.7817    0.0000 C   0  0
   11.7016   -4.1927    0.0000 C   0  0
   10.7355   -5.3401    0.0000 O   0  0
   13.1791   -4.4564    0.0000 C   0  0
   13.6902   -5.8666    0.0000 C   0  0
    4.4342    1.0601    0.0000 N   0  0
    4.4342    2.5601    0.0000 C   0  0
    5.7331    3.3103    0.0000 O   0  0
    3.1342    3.3101    0.0000 C   0  0  1  0  0  0
    3.1343    4.8099    0.0000 C   0  0
    1.8355    5.5603    0.0000 C   0  0
    0.5362    4.8107    0.0000 C   0  0
    0.5358    3.3107    0.0000 C   0  0
    1.8342    2.5601    0.0000 N   0  0
    1.8342    1.0601    0.0000 C   0  0
    3.1331    0.3099    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  6
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 11  1  0
 21 16  1  0
  9 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  1
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 25 35  1  0
 35 36  1  0
 36 37  2  0
 36 38  1  0
 38 39  1  6
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 38  1  0
 43 44  1  0
 44  5  1  0
 44 45  2  0
M  END
> <name>
Broad_2021

> <id>
33878

> <plate>
Plate_2

> <well>
C15

> <supplier_cmpd_name>
Apicidin

> <ctcr_id>
8333

> <supplier_cmpd_id>
Apicidin

> <smiles>
CC[C@@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]4CCCCN4C1=O

> <pd_targets>
{HDAC2,HDAC8,HDAC3,NCOR2,HD1,HDAC1,HDAC4,HDAC10,HDAC11,HDAC5,HDAC6,HDAC7,HDAC9,HD2,F3}

> <pathway_gtopdb>
{"Epigenetic regulator","Membrane receptor",Eraser,"Histone deacetylase","HDAC class I","HDAC class IIa","HDAC class IIb"}

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

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle",Disease,"Signal Transduction","RNA Polymerase II Transcription",Mitotic,"Disorders of Developmental Biology","Signaling by Receptor Tyrosine Kinases","G
eneric Transcription Pathway","M Phase","Disorders of Nervous System Development","Signaling by NTRKs","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase","Pervasive developmental di
sorders","Transcriptional regulation by RUNX2","Signaling by NTRK1 (TRKA)","Regulation of TP53 Activity","Mitotic Anaphase","Loss of function of MECP2 in Rett syndrome","RUNX2 regulates bone developme
nt","Nuclear Events (kinase and transcription factor activation)","Regulation of TP53 Activity through Acetylation","Separation of Sister Chromatids","Loss of MECP2 binding ability to 5mC-DNA","RUNX2 
regulates chondrocyte maturation","Loss of MECP2 binding ability to the NCoR/SMRT complex","RUNX2 regulates osteoblast differentiation","NGF-stimulated transcription"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SCHEMBL8225621,CHEBI:94190,C34H49N5O6,ZINC36338664,AKOS024458374,Q27165951,4846,Apicidin}

> <pdid>
PD003382

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{44593387}

$$$$
Broad_2021
  SciTegic11012413022D

 24 26  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8934   -5.2570    0.0000 C   0  0
   -5.1924   -6.0071    0.0000 C   0  0
   -6.4914   -5.2571    0.0000 C   0  0
   -6.4915   -3.7571    0.0000 C   0  0
   -5.1925   -3.0071    0.0000 C   0  0
   -7.7905   -6.0071    0.0000 Br  0  0
   -2.5952   -6.0101    0.0000 C   0  0
   -2.5973   -7.5110    0.0000 C   0  0
   -1.3868   -8.3750    0.0000 C   0  0
    0.0386   -7.9080    0.0000 O   0  0
   -1.8553   -9.8000    0.0000 N   0  0
   -3.3553   -9.7948    0.0000 C   0  0
   -4.2412  -11.0052    0.0000 S   0  0
   -3.8138   -8.3666    0.0000 S   0  0
   -2.5981    1.5000    0.0000 Br  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
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14  9  1  0
 12 15  1  0
 10 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 17  1  0
  4 24  1  0
M  END
> <name>
Broad_2021

> <id>
33879

> <plate>
Plate_2

> <well>
E15

> <supplier_cmpd_name>
PRL-3 Inhibitor

> <ctcr_id>
4070

> <supplier_cmpd_id>
PRL-3 Inhibitor

> <smiles>
C1=CC=C(C(=C1)COC2=C(C=C(C=C2)Br)C=C3C(=O)NC(=S)S3)Br

> <pd_targets>
{PTP4A3}

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

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"RL3 (PRL3 INHIBITOR","PRL-3 Inhibitor","PRL3 Inhibitor",893449-38-2,893449382,Q27166754,SY-PRL-3,"PRL-3 (PRL-3 inhibitor)"}

> <pdid>
PD003543

> <targets>
{"PRL-3 liver tyrosine phosphatases",PRL-3}

> <classes>
{}

> <pubchem_cids>
{71434048}

$$$$
Broad_2021
  SciTegic11012413022D

 32 34  0  0  1  0            999 V2000
   -2.4341  -11.6798    0.0000 C   0  0
   -1.4185  -10.5759    0.0000 C   0  0
   -1.8661   -9.1434    0.0000 C   0  0
   -3.3298   -8.8154    0.0000 O   0  0
   -2.9039  -10.2676    0.0000 C   0  0
   -4.3674   -9.9384    0.0000 C   0  0
   -0.8500   -8.0388    0.0000 C   0  0
   -1.2977   -6.6063    0.0000 C   0  0
   -0.2816   -5.5018    0.0000 C   0  0
   -0.7292   -4.0692    0.0000 C   0  0  2  0  0  0
   -2.1929   -3.7413    0.0000 C   0  0
    0.2851   -2.9666    0.0000 C   0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8872    5.2571    0.0000 C   0  0
    5.1832    6.0124    0.0000 C   0  0  1  0  0  0
    5.1770    7.5124    0.0000 O   0  0
    6.4853    5.2677    0.0000 C   0  0
    6.4914    3.7677    0.0000 C   0  0  2  0  0  0
    7.7935    3.0231    0.0000 F   0  0
    5.1955    3.0124    0.0000 C   0  0
    5.2017    1.5124    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  3  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  6
 10 12  1  0
 12 13  2  3
 13 14  1  0
 15 14  1  6
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 12  1  0
 20 15  1  0
 20 21  1  6
 16 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  1
 26 28  1  0
 28 29  1  0
 29 30  1  6
 29 31  1  0
 31 24  1  0
 31 32  2  0
M  END
> <name>
Broad_2021

> <id>
33880

> <plate>
Plate_2

> <well>
G15

> <supplier_cmpd_name>
elocalcitol

> <ctcr_id>
8240

> <supplier_cmpd_id>
elocalcitol

> <smiles>
CCC(O)(CC)/C=C/C[C@H](C)C1=CC[C@H]2\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@H](F)C3=C

> <pd_targets>
{VDR}

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

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1I. Vitamin D receptor-like receptors"}

> <pathway_reactome>
{"Metabolism of proteins","Post-translational protein modification",SUMOylation,"SUMO E3 ligases SUMOylate target proteins","SUMOylation of intracellular receptors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Elocalcitol,"BXL 628",BXL-628,BXL628,UNII-2WDS5F2V6Q,UNII2WDS5F2V6Q,"UNII 2WDS5F2V6Q",199798-84-0,199798840,"199798 84 0",2WDS5F2V6Q,"Ro 26-9228","Ro 269228","Ro 26 9228",Ro-26-9228,Ro269228,"Elocalc
itol (INN)",GTPL2785,SCHEMBL12932254,C29H43F,1676,elocalcitol}

> <pdid>
PD003707

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{11396600}

$$$$
Broad_2021
  SciTegic11012413022D

 23 23  0  0  0  0            999 V2000
   12.9995   -1.4792    0.0000 C   0  0
   11.6990   -0.7319    0.0000 C   0  0
   11.6963    0.7681    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    6.4964    0.7591    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
    9.0933    0.7644    0.0000 B   0  0
    7.7919    1.5103    0.0000 O   0  0
   10.3897    1.5189    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  2  0
 19 13  1  0
 19 20  1  0
  5 21  1  0
 21 22  1  0
 21 23  1  0
M  END
> <name>
Broad_2021

> <id>
33881

> <plate>
Plate_2

> <well>
A17

> <supplier_cmpd_name>
Ixazomib

> <ctcr_id>
6120

> <supplier_cmpd_id>
Ixazomib

> <smiles>
CC(C)CC(NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O

> <pd_targets>
{PSMB5,PSMB1,PSMB2,PSMA1,PSMA2,PSMA3,PSMA4,PSMA5,PSMA6,PSMA7,PSMA8,PSMB10,PSMB11,PSMB3,PSMB4,PSMB6,PSMB7,PSMB8,PSMB9,NFKB1,NFKB2,RELA}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Protease,"Threonine protease","Threonine protease PBT clan","Threonine protease T1A subfamily"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","PB: Threonine (T) Peptidases","T1: Proteasome"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"Regulation of mitotic cell cycle","APC/C-mediated degradation of cell cycle proteins","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","APC/C:Cdc20
 mediated degradation of mitotic proteins","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cyclin
 A"}

> <broad_targets>
{}

> <broad_moa>
{"proteasome inhibitor"}

> <synonyms>
{HMS3655N06,AKOS026750363,AK321152,FT-0660371,FT0660371,T2122,S2180,Ixazomib,MLN2238}

> <pdid>
PD003323

> <targets>
{Proteasome,Autophagy}

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

> <pubchem_cids>
{74401387}

$$$$
Broad_2021
  SciTegic11012413022D

 40 43  0  0  1  0            999 V2000
    7.9464    8.9883    0.0000 C   0  0
    8.9535    7.8767    0.0000 C   0  0
   10.4197    8.1936    0.0000 O   0  0
    8.4937    6.4481    0.0000 O   0  0
    7.0267    6.1311    0.0000 C   0  0
    7.4856    7.5591    0.0000 C   0  0
    6.0196    7.2427    0.0000 C   0  0
    6.5669    4.7024    0.0000 C   0  0
    5.0999    4.3854    0.0000 C   0  0
    4.6401    2.9568    0.0000 C   0  0
    5.6472    1.8451    0.0000 O   0  0
    3.1731    2.6397    0.0000 C   0  0  1  0  0  0
    2.1660    3.7514    0.0000 C   0  0
    2.7140    1.2135    0.0000 C   0  0  1  0  0  0
    3.5957    0.0000    0.0000 C   0  0  1  0  0  0
    2.7140   -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  0  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  0  0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1962   -1.5000    0.0000 C   0  0  1  0  0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -6.4952   -3.7500    0.0000 O   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -2.5807   -4.4691    0.0000 C   0  0
   -5.2134   -4.4693    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 O   0  0
   -2.5981    0.0000    0.0000 C   0  0
    1.4540    2.2420    0.0000 C   0  0
    1.4540   -2.2420    0.0000 C   0  0
    5.0957    0.0000    0.0000 O   0  0
    4.1803    1.5281    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 14 12  1  1
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 17  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  3
 26 27  1  0
 27 22  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 30 32  1  0
 32 26  1  0
 32 33  1  0
 32 34  1  0
 29 35  1  1
 22 36  1  1
 18 37  1  1
 17 38  1  0
 15 39  1  6
 12 40  1  1
M  END
> <name>
Broad_2021

> <id>
33882

> <plate>
Plate_2

> <well>
C17

> <supplier_cmpd_name>
Cucurbitacin I

> <ctcr_id>
8258

> <supplier_cmpd_id>
Cucurbitacin I

> <smiles>
CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)([C@H]1[C@@H](CC2([C@@]1(CC(=O)[C@@]3(C2CC=C4C3C[C@@H](C(=O)C4(C)C)O)C)C)C)O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{T3404,14747,"Cucurbitacin B","cucurbitacin I"}

> <pdid>
PD011564

> <targets>
{JAK,STAT}

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

> <pubchem_cids>
{122130491}

$$$$
Broad_2021
  SciTegic11012413022D

 33 36  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 Cl  0  0
   -9.0870    0.7310    0.0000 C   0  0
   -9.0763   -0.7698    0.0000 S   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
   -3.8819   -0.7256    0.0000 N   0  0
   -3.8968    0.7752    0.0000 C   0  0
   -5.2035    1.5118    0.0000 O   0  0
   -2.6051    1.5393    0.0000 C   0  0
   -2.6200    3.0392    0.0000 C   0  0
   -6.4790   -0.7508    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  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  0
 24 30  2  0
 30 20  1  0
 18 31  2  0
 31 13  1  0
 11 32  1  0
 32 33  2  0
 33  8  1  0
M  END
> <name>
Broad_2021

> <id>
33883

> <plate>
Plate_2

> <well>
E17

> <supplier_cmpd_name>
WZ8040

> <ctcr_id>
418

> <supplier_cmpd_id>
WZ8040

> <smiles>
CN1CCN(CC1)c2ccc(Nc3ncc(Cl)c(Sc4cccc(NC(=O)C=C)c4)n3)cc2

> <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>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{WZ8040,1214265-57-2,1214265572,WZ-8040,"WZ 8040",C24H25ClN6OS,SCHEMBL93523,cc-536,cc536,MLS006011280,CHEMBL1643989,DTXSID40659652,HMS3654M16,BCP02320,EX-A4023,EXA4023,ABP000885,s1179,ZINC52509388,CCG
-269557,CCG269557,CS-0171,CS0171,SB19363,WZ8040/WZ-8040,WZ8040/WZ8040,NCGC00346497-01,NCGC0034649701,NCGC00346497-02,NCGC0034649702,AC-3,AC3,T6733,S1179,WZ3146}

> <pdid>
PD003311

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

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{44607531}

$$$$
Broad_2021
  SciTegic11012413022D

 29 31  0  0  1  0            999 V2000
    1.2636   -2.2496    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    2.5801    0.0303    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5800   -0.0305    0.0000 C   0  0
   -1.2638    2.2496    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8968   -3.7522    0.0000 C   0  0  1  0  0  0
   -3.8943   -5.2522    0.0000 O   0  0
   -5.1981   -3.0044    0.0000 C   0  0
   -5.2006   -1.5044    0.0000 O   0  0
   -6.4968   -3.7565    0.0000 N   0  0
   -7.7980   -3.0087    0.0000 C   0  0
   -7.7980   -1.5086    0.0000 C   0  0
   -9.0970   -0.7586    0.0000 C   0  0
  -10.3961   -1.5085    0.0000 C   0  0
  -10.3962   -3.0085    0.0000 C   0  0
   -9.0972   -3.7586    0.0000 C   0  0
   -9.0973   -5.2586    0.0000 F   0  0
  -11.6974   -0.7607    0.0000 C   0  0
  -11.6999    0.7393    0.0000 O   0  0
  -12.9954   -1.5125    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  2  1  0
 14  9  1  0
 11 15  1  0
 15 16  1  1
 15 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 25 26  1  0
 23 27  1  0
 27 28  1  0
 27 29  2  0
M  END
> <name>
Broad_2021

> <id>
33884

> <plate>
Plate_2

> <well>
G17

> <supplier_cmpd_name>
BMS 270394

> <ctcr_id>
8237

> <supplier_cmpd_id>
BMS 270394

> <smiles>
CC1(C)CCC(C)(C)c2cc(ccc12)[C@@H](O)C(=O)Nc3ccc(cc3F)C(O)=O

> <pd_targets>
{RARG,CYP3A4,CYP26A1,RARB}

> <pathway_gtopdb>
{"Transcription factor","Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear hormone receptor subfamily 1 group B","Nuclear hormone receptor subfamily 1 group B member 3",Enzyme,"Cytochr
ome P450","Cytochrome P450 family 3","Cytochrome P450 family 26","Cytochrome P450 family 3A","Cytochrome P450 family 26A","Cytochrome P450 3A4","Cytochrome P450 26A1","Nuclear hormone receptor subfami
ly 1 group B member 2"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","1B. Retinoic acid receptors",Enzymes,"Cytochrome P450","CYP3 family",CYP24,"CYP26 and CYP27 families"}

> <pathway_reactome>
{"Gene expression (Transcription)","RNA Polymerase II Transcription","Generic Transcription Pathway","Nuclear Receptor transcription pathway",Metabolism,"Metabolism of lipids","Biological oxidations",
"Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Biosynthesis o
f maresins",Vitamins,"Biosynthesis of maresin-like SPMs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{bms270394,262433-54-5,262433545,"262433 54 5",BMS-270394,BMS270394,"BMS 270394",BMS961,SCHEMBL165750,GTPL2653,BDBM31889,ZINC3871759,"CID 445455",DB07031,NCGC00386510-01,NCGC0038651001,"NCGC00386510 0
1","BMS 270394, (R)-(+)-","BMS 270394, (R)(+)",1173}

> <pdid>
PD003563

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{445455}

$$$$
Broad_2021
  SciTegic11012413022D

 31 33  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    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
   -2.6003    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
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6994    0.7341    0.0000 C   0  0
  -12.9984    1.4841    0.0000 C   0  0
  -12.9985    2.9841    0.0000 C   0  0
  -11.6994    3.7341    0.0000 C   0  0
  -10.4004    2.9842    0.0000 C   0  0
   -3.8964   -0.7553    0.0000 C   0  0
   -5.1073   -1.6189    0.0000 S   0  0
   -4.6393   -3.0440    0.0000 C   0  0
   -3.1393   -3.0394    0.0000 C   0  0
   -2.6802   -1.6114    0.0000 C   0  0
   -2.6061    2.9986    0.0000 C   0  0
   -1.3096    3.7531    0.0000 O   0  0
   -3.9082    3.7448    0.0000 C   0  0
   -3.9139    5.2448    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  6 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  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 11 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 23  2  0
 10 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
M  END
> <name>
Broad_2021

> <id>
33885

> <plate>
Plate_2

> <well>
A19

> <supplier_cmpd_name>
ML162

> <ctcr_id>
8264

> <supplier_cmpd_id>
ML162

> <smiles>
COc1ccc(cc1Cl)N(C(C(=O)NCCc2ccccc2)c3sccc3)C(=O)CCl

> <pd_targets>
{RORC,MAPT,TGR,DNAB,RECA,NPSR1,LMNA,BCL2L11,PAX8}

> <pathway_gtopdb>
{"Transcription factor","Other cytosolic protein",Enzyme,"Membrane receptor","Other nuclear protein","Unclassified protein","Nuclear receptor","Family A G protein-coupled receptor","Nuclear hormone re
ceptor subfamily 1","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1 group F member 3","
Neuropeptide receptor"}

> <pathway_chembl>
{Receptors,"Nuclear hormone receptors","G protein-coupled receptors","1F. Retinoic acid-related orphans","Neuropeptide S receptor"}

> <pathway_reactome>
{"Gene expression (Transcription)","Neuronal System",Disease,"Cell Cycle","RNA Polymerase II Transcription","Transmission across Chemical Synapses","Infectious disease",Mitotic,"Generic Transcription 
Pathway","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania infection","M Phase","Transcriptional regulation by RUNX3","Activation of NMDA receptors and postsynaptic events"
,"Leishmania parasite growth and survival","Mitotic Metaphase and Anaphase","FOXO-mediated transcription","RUNX3 Regulates Immune Response and Cell Migration","Post NMDA receptor activation events","A
nti-inflammatory response favouring Leishmania parasite infection","Mitotic Anaphase","FOXO-mediated transcription of cell death genes","Activation of AMPK downstream of NMDARs","ADORA2B mediated anti
-inflammatory cytokines production","Nuclear Envelope (NE) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{03507216,1035072-16-2,1035072162,ML162,SMR000206941,MLS000583955,ML-162,BRD5421,BRD-5421,MLS002588779,MLS002703080,CHEMBL1499544,SCHEMBL15428380,BDBM66431,CHEBI:91657,cid_3689413,cid3689413,cid-36894
13,"cid 3689413",AOB1514,HMS2544O20,HMS3874J03,EX-A4946,EXA4946,AKOS024440074,AS-16657,AS16657,SR-01000705401,SR01000705401,SR-010,SR010,20455}

> <pdid>
PD003692

> <targets>
{Ferroptosis,Glutathione Peroxidase}

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

> <pubchem_cids>
{3689413}

$$$$
Broad_2021
  SciTegic11012413022D

 25 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.9492    0.8772    0.0000 N   0  0
   -4.9546    1.9903    0.0000 N   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -1.6216    3.9790    0.0000 C   0  0
   -1.9268    5.4485    0.0000 C   0  0
   -3.2910    6.0408    0.0000 S   0  0
   -3.1304    7.5321    0.0000 C   0  0
   -4.2425    8.5387    0.0000 N   0  0
   -1.6624    7.8402    0.0000 N   0  0
   -0.9157    6.5392    0.0000 C   0  0
    0.5747    6.3697    0.0000 O   0  0
   -1.0484    9.2096    0.0000 C   0  0
   -1.7000   10.5412    0.0000 S   0  0
   -0.6095   11.5712    0.0000 C   0  0
    0.7070   10.8524    0.0000 C   0  0
    0.4302    9.3781    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  2  0
 12  8  1  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 14  1  0
 19 20  2  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 21  2  0
M  END
> <name>
Broad_2021

> <id>
33886

> <plate>
Plate_2

> <well>
C19

> <supplier_cmpd_name>
Necrostatin-7

> <ctcr_id>
8243

> <supplier_cmpd_id>
Necrostatin-7

> <smiles>
Fc1ccc(cc1)c2n[nH]cc2\C=C\3SC(=N)N(C3=O)c4sccn4

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ECROSTATIN,Necrostatin-7,Necrostatin7,351062-08-3,351062083,STK763743,necrotatin-7,necrotatin7,"Necrostatin-7 (Nec-7)","Necrostatin7 (Nec7)",CHEMBL514242,SCHEMBL12682782,HMS621M06,AOB5000,DTXSID40361
283,ZINC20587175,SR-01000531116,SR01000531116,J-019941,J019941,SR-01000531116-1,SR010005311161,10528,necrostatin-7}

> <pdid>
PD003441

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{1239801}

$$$$
Broad_2021
  SciTegic11012413022D

 21 24  0  0  0  0            999 V2000
    3.9015    0.7475    0.0000 F   0  0
    3.8991   -0.7525    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    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
   -5.3229    1.2135    0.0000 O   0  0
   -6.2045    0.0000    0.0000 C   0  0
   -5.3228   -1.2136    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  2  0
 18 19  1  0
 19 20  2  0
 20 12  1  0
 20 21  1  0
 21  8  1  0
M  END
> <name>
Broad_2021

> <id>
33887

> <plate>
Plate_2

> <well>
E19

> <supplier_cmpd_name>
CHM 1

> <ctcr_id>
8317

> <supplier_cmpd_id>
CHM 1

> <smiles>
Fc1ccccc1C2=CC(=O)c3cc4OCOc4cc3N2

> <pd_targets>
{TUBB2B,TUBA1A,NPC1,MTOR}

> <pathway_gtopdb>
{"Structural protein",Transporter,Enzyme,Kinase,"Protein Kinase","Atypical protein kinase group","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{"Other protein targets",Transporters,Enzymes,Tubulins,"SLC superfamily of solute carriers","Kinases (EC 2.7.x.x)","SLC65 NPC-type cholesterol transporters",Atypical,"Phosphatidyl inositol 3' kinase-r
elated kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle","Transport of small molecules","Gene expression (Transcription)",Mitotic,"Plasma lipoprotein assembly",remodeling,"and clearance","RNA Polymerase II Transcription","M Phase","Mitotic G2-
G2/M phases","Plasma lipoprotein clearance","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","G2/M Transition","LDL clearance","Transcriptional Regulation by TP53","Mitotic Anaphase","
Centrosome maturation","Regulation of TP53 Activity","Nuclear Envelope (NE) Reassembly","Loss of proteins required for interphase microtubule organization from the centrosome","Regulation of TP53 Expr
ession and Degradation","Sealing of the nuclear envelope (NE) by ESCRT-III","Loss of Nlp from mitotic centrosomes","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HM,CHM-1,CHM1,154554-41-3,154554413,"CHM 1","CHM-1 hydrate","CHM1 hydrate",NSC-656158,NSC656158,CHEMBL280099,"6-(2-Fluorophenyl)(1,3)dioxolo(4,5-G)quinolin-8(5h)-One","6(2Fluorophenyl)(1,3)dioxolo(4,
5G)quinolin8(5h)One","6-(2-fluorophenyl)-5H-(1,3)dioxolo(4,5-g)quinolin-8-one","6(2fluorophenyl)5H(1,3)dioxolo(4,5g)quinolin8one","6-(2-fluorophenyl)-(1,3)dioxolo(4,5-g)quinolin-8(5H)-one","6(2fluorop
henyl)(1,3)dioxolo(4,5g)quinolin8(5H)one",Neuro_00,Neuro00,Neuro-00,"Neuro 00",3868}

> <pdid>
PD003609

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{375860}

$$$$
Broad_2021
  SciTegic11012413022D

 27 28  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 C   0  0
   -3.8983   -0.7513    0.0000 C   0  0
   -2.5983   -3.0004    0.0000 C   0  0
   -3.8975   -2.2510    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6078    5.9988    0.0000 C   0  0
   -2.6131    7.4988    0.0000 C   0  0
   -3.9148    8.2443    0.0000 C   0  0
   -5.2112    7.4898    0.0000 C   0  0
   -5.2060    5.9898    0.0000 C   0  0
   -3.9044    5.2443    0.0000 C   0  0
   -6.5151    8.2330    0.0000 C   0  0
   -6.5229    9.7330    0.0000 O   0  0
   -7.8104    7.4767    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
  7 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 22 25  1  0
 25 26  1  0
 25 27  2  0
M  END
> <name>
Broad_2021

> <id>
33888

> <plate>
Plate_2

> <well>
A21

> <supplier_cmpd_name>
Ch 55

> <ctcr_id>
8319

> <supplier_cmpd_id>
Ch 55

> <smiles>
CC(C)(C)c1cc(cc(c1)C(C)(C)C)C(=O)/C=C/c2ccc(cc2)C(O)=O

> <pd_targets>
{TDP1,FTL,ALD,RORC,TP53,CASP7,ALOX15,BLM,HSD17B10,MAPK1,CYP3A4,MAPT,LEF}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Transcription factor","Other cytosolic protein",Hydrolase,"Nuclear receptor",Protease,Oxidoreductase,Kinase,"Cytochrome P450","Nuclear hormone receptor subfamily 1","Cy
steine protease","Protein Kinase","Cytochrome P450 family 3","Metallo protease","Nuclear hormone receptor subfamily 1 group F","Cysteine protease CD clan","CMGC protein kinase group","Cytochrome P450 
family 3A","Cysteine protease CA clan","Metallo protease MAE clan","Nuclear hormone receptor subfamily 1 group F member 3","Cysteine protease C14 family","CMGC protein kinase MAPK family","Cytochrome 
P450 3A4","Cysteine protease C1A family","Metallo protease M34 family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Peptidases and proteinases","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Cytochrome P450","1F. Retinoic acid-related orphans","CD: Cysteine (C) Peptida
ses",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","C14: Caspase","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"DNA Repair","Vesicle-mediated transport","Gene expression (Transcription)","Cell Cycle","Programmed Cell Death",Metabolism,"Immune System","Neuronal System",Disease,"DNA Double-Strand Break Repair",
"Membrane Trafficking","RNA Polymerase II Transcription","Cell Cycle Checkpoints",Apoptosis,"Metabolism of lipids","Metabolism of amino acids and derivatives","Innate Immune System","Transmission acro
ss Chemical Synapses","Infectious disease","Nonhomologous End-Joining (NHEJ)","trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","G1/S DNA Damage Checkpoints","Intrinsic Pathway for
 Apoptosis","Biosynthesis of specialized proresolving mediators (SPMs)","Homology Directed Repair","Branched-chain amino acid catabolism","Toll-like Receptor Cascades","Neurotransmitter receptors and 
postsynaptic signal transmission","Uptake and actions of bacterial toxins","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX3","p53-Dependent G1/S DNA damage checkpoint","Apopt
otic factor-mediated response","Biosynthesis of DPA-derived SPMs","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of D
HA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Uptake and function of anthrax toxins","RUNX3 Regulates Immune Response and Cell Migration","p53-Dependent G1 DNA Damage Respon
se","Cytochrome c-mediated apoptotic response","Biosynthesis of DPAn-3 SPMs","HDR through Homologous Recombination (HRR)","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Post 
NMDA receptor activation events","Stabilization of p53","Activation of caspases through apoptosome-mediated cleavage","Biosynthesis of DPAn-3-derived protectins and resolvins","Homologous DNA Pairing 
and Strand Exchange","MAP kinase activation","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","Autodegradation of the E3 ubiquitin ligase COP1","Presynaptic phase of homol
ogous DNA pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{RARA,RARB}

> <broad_moa>
{"retinoid receptor binder"}

> <synonyms>
{"CH 55",CH55,110368-33-7,110368337,Ch-55,Ch55,"3,5-Di-tert-butylchalcone","3,5Ditertbutylchalcone","4-((1E)-3-(3,5-bis(1,1-Dimethylethyl)phenyl)-3-oxo-1-propenyl)benzoic acid","4((1E)3(3,5bis(1,1Dime
thylethyl)phenyl)3oxo1propenyl)benzoic acid",NSC608002,"3,5-Di-tert-butylchalcone 4'-carboxylic acid","3,5Ditertbutylchalcone 4'carboxylic acid",CHEMBL285480,SCHEMBL2307737,SCHEMBL2307743,CHEBI:92891,
2020,"Ch 55"}

> <pdid>
PD003351

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{6184667}

$$$$
Broad_2021
  SciTegic11012413022D

 28 30  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 N   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -6.4994   -0.7433    0.0000 C   0  0
   -7.7985   -1.4932    0.0000 C   0  0
   -7.7985   -2.9932    0.0000 C   0  0
   -6.4995   -3.7433    0.0000 C   0  0
   -6.4964   -5.2441    0.0000 N   0  0
   -5.1956   -5.9927    0.0000 C   0  0
   -3.8979   -5.2405    0.0000 O   0  0
   -5.1925   -7.4935    0.0000 C   0  0
   -6.4916   -8.2436    0.0000 C   0  0
   -6.4916   -9.7436    0.0000 C   0  0
   -5.1926  -10.4936    0.0000 C   0  0
   -3.8935   -9.7436    0.0000 C   0  0
   -2.5945  -10.4936    0.0000 O   0  0
   -3.8935   -8.2436    0.0000 C   0  0
   -2.5945   -7.4936    0.0000 O   0  0
   -5.2004   -2.9933    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 18  1  0
 24 25  1  0
 14 26  2  0
 26 10  1  0
  6 27  2  0
 27  2  1  0
 27 28  1  0
M  END
> <name>
Broad_2021

> <id>
33889

> <plate>
Plate_2

> <well>
C21

> <supplier_cmpd_name>
MST-312

> <ctcr_id>
8306

> <supplier_cmpd_id>
MST-312

> <smiles>
Oc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(O)c3O)c2)c1O

> <pd_targets>
{TERT}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Cell Cycle","Chromosome Maintenance","Telomere Maintenance","Extension of Telomeres","Telomere Extension By Telomerase"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Telomerase Inhibitor IX",368449-04-1,368449041,CHEMBL2170856,"N-(3-((2,3-dihydroxybenzoyl)amino)phenyl)-2,3-dihydroxybenzamide","N(3((2,3dihydroxybenzoyl)amino)phenyl)2,3dihydroxybenzamide","N-(3-((
(2,3-dihydroxyphenyl)-oxomethyl)amino)phenyl)-2,3-dihydroxybenzamide","N(3(((2,3dihydroxyphenyl)oxomethyl)amino)phenyl)2,3dihydroxybenzamide",Benzamide,N,N'-1,N'1,3-phenylenebi,3phenylenebi,M3949,MST-
312}

> <pdid>
PD003503

> <targets>
{Telomerase}

> <classes>
{Cell Cycle/DNA Damage}

> <pubchem_cids>
{10385095}

$$$$
Broad_2021
  SciTegic11012413022D

 38 40  0  0  1  0            999 V2000
    7.6972   -1.8773    0.0000 Cl  0  0
    5.1965   -1.5117    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    3.9051    0.7424    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0  1  0  0  0
    2.5951   -3.0039    0.0000 N   0  0
    1.2956   -3.7547    0.0000 C   0  0
    1.2951   -5.2556    0.0000 C   0  0
   -0.0044   -6.0064    0.0000 C   0  0
   -0.0049   -7.5064    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    5.1824   -7.5124    0.0000 C   0  0
    3.8808   -8.2579    0.0000 C   0  0
    3.8756   -9.7579    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8915    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
    1.2934    3.7495    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 Cl  0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  2  3  1  0
  3  4  1  0
  5  3  1  1
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
  5 20  1  0
 20 21  2  3
 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
 21 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
 34 36  1  0
 36 37  2  0
 37 31  1  0
 37 38  1  0
 38 20  1  0
M  END
> <name>
Broad_2021

> <id>
33890

> <plate>
Plate_2

> <well>
E21

> <supplier_cmpd_name>
SB743921

> <ctcr_id>
7443

> <supplier_cmpd_id>
SB743921

> <smiles>
Cl.CC(C)[C@@H](N(CCCN)C(=O)c1ccc(C)cc1)C2=C(Cc3ccccc3)C(=O)c4ccc(Cl)cc4O2

> <pd_targets>
{KIF11,KCNH2}

> <pathway_gtopdb>
{"Other cytosolic protein","Ion channel","Voltage-gated ion channel","Potassium channels","Voltage-gated potassium channel"}

> <pathway_chembl>
{"Other protein targets","Ion channels",Kinesins,"Voltage-gated ion channels","Potassium channels","Voltage-gated potassium channels"}

> <pathway_reactome>
{"Vesicle-mediated transport","Muscle contraction","Membrane Trafficking","Cardiac conduction","Intra-Golgi and retrograde Golgi-to-ER traffic","Phase 3 - rapid repolarisation","Golgi-to-ER retrograde
 transport","COPI-dependent Golgi-to-ER retrograde traffic"}

> <broad_targets>
{KIF11}

> <broad_moa>
{"kinesin-like spindle protein inhibitor"}

> <synonyms>
{940929-33-9,940929339,"SB 743921",SB743921,SB-743921,UNII-2YW6FB68GM,UNII2YW6FB68GM,2YW6FB68GM,"SB743921 HCl","SB 743921 hydrochloride","SB-743921 hydrochloride","SB743921 hydrochloride",cc-399,cc399
,SCHEMBL644065,C31H34Cl2N2O3,DTXSID80678822,BCP02471,EX-A2156,EXA2156,ABP000941,s2182,AKOS024458497,CCG-270018,CCG270018,T2255,S2182,SB743921}

> <pdid>
PD003394

> <targets>
{Kinesin}

> <classes>
{}

> <pubchem_cids>
{49867937}

$$$$
