TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
   12.3047   -1.2593    0.0000 O   0  0
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.3382   -2.9741    0.0000 S   0  0
    6.8047   -3.2855    0.0000 C   0  0
    7.5547   -4.5845    0.0000 C   0  0
    9.0547   -4.5845    0.0000 C   0  0
    9.8047   -3.2855    0.0000 C   0  0
    9.0547   -1.9864    0.0000 C   0  0
    7.5547   -1.9865    0.0000 C   0  0
    6.5517   -0.8722    0.0000 C   0  0
    6.8522    0.5955    0.0000 C   0  0
    7.1530    2.0651    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  7  2  0
 12 13  1  0
 13  5  2  0
 13 14  1  0
 14 15  3  0
  3 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 16  1  0
 25 20  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13562

> <plate>
PLATE 001

> <well>
A2

> <supplier_cmpd_name>
SC-202671

> <ctcr_id>
2558

> <supplier_cmpd_id>
T2234

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

> <pd_targets>
{MAPK9,MAPK10,MAPK8}

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

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

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

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD003805

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{16760525}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 20 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2494    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4970    0.7465    0.0000 C   0  0
   -7.7969    1.4967    0.0000 C   0  0
   -9.0963    0.7473    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3034    3.7525    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  5 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 13 17  2  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 20  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13563

> <plate>
PLATE 001

> <well>
A3

> <supplier_cmpd_name>
Honokiol

> <ctcr_id>
2818

> <supplier_cmpd_id>
T3001

> <smiles>
Oc1ccc(cc1CC=C)c2cc(CC=C)ccc2O

> <pd_targets>
{RORC,TGR,NA,PTGS2,PTGS1,FTL,POLB,GAA,CNR2,ALOX5,KMT2A,MEN1,MAPT,TIM10,GABRA1,GABRB2,GABRG2,GABRA2,CNR1,RXRA,GABRA3,GABRB1,GABRB3,GABRA5}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Unclassified protein","Membrane receptor","Epigenetic regulator","Other cytosolic protein","Ion channel","Nuclear receptor",Hydrolase,Oxidoreductase,"Family A G protein
-coupled receptor",Reader,"Ligand-gated ion channel","Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)",Bromodomain,"GABA-A receptor","Nuclear hormone receptor subfamily 
2","Nuclear hormone receptor subfamily 1 group F","Lipid-like ligand receptor (family A GPCR)","Nuclear hormone receptor subfamily 2 group B","Nuclear hormone receptor subfamily 1 group F member 3","C
annabinoid receptor","Nuclear hormone receptor subfamily 2 group B member 1"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","Eicosanoid turnover","3.2.1.- Glycosidases","G protein-coupled receptors","1F. Retinoic acid-related orphans",Cyclooxygenase,"Cannabinoid receptors",Lip
oxygenases,"2B. Retinoid X receptors"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,"Vesicle-mediated transport","DNA Repair",Disease,"Signal Transduction","Neuronal System","RNA Polymerase II Transcription","Metabolism of lipids","Membra
ne Trafficking","Base Excision Repair","Diseases of metabolism","Signaling by GPCR","Transmission across Chemical Synapses","Generic Transcription Pathway","Biosynthesis of specialized proresolving me
diators (SPMs)","Fatty acid metabolism","trans-Golgi Network Vesicle Budding","Resolution of Abasic Sites (AP sites)","Diseases of carbohydrate metabolism","GPCR downstream signalling","Neurotransmitt
er receptors and postsynaptic signal transmission","Metabolism of steroids","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derived SPMs","Arachidonic acid metabolism","Golgi Associated Ves
icle Biogenesis","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","Glycogen storage diseases","G alpha (i) signalling events","Activation of NMDA receptors and postsynapt
ic events","Bile acid and bile salt metabolism","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","PCNA-Depend
ent Long Patch Base Excision Repair","Glycogen storage disease type II (GAA)","Post NMDA receptor activation events","Synthesis of bile acids and bile salts","Biosynthesis of DPAn-3-derived 13-series 
resolvins","Activation of AMPK downstream of NMDARs","Synthesis of bile acids and bile salts via 27-hydroxycholesterol"}

> <broad_targets>
{ALOX5,PTGS1,PTGS2}

> <broad_moa>
{"AKT inhibitor"}

> <synonyms>
{Honokiol,35354-74-6,35354746,"5,3'-Diallyl-2,4'-dihydroxybiphenyl","5,3'Diallyl2,4'dihydroxybiphenyl","NSC 293100","3,5'-Diallyl-4,2'-dihydroxybiphenyl","3,5'Diallyl4,2'dihydroxybiphenyl","Honokiol,(
S)",UNII-11513CCO0N,UNII11513CCO0N,"3',5-Diallylbiphenyl-2,4'-diol","3',5Diallylbiphenyl2,4'diol",C18H18O2,CPD000387107,CHEMBL16901,CHEBI:5759,3',5-diallyl-(1,5diallyl(1,1'-biph,1'biph,T3001,SAM001246
690}

> <pdid>
PD002976

> <targets>
{AKT,Akt,Autophagy,ERK,HCV}

> <classes>
{Anti-infection,Autophagy,MAPK/ERK Pathway,PI3K/Akt/mTOR,Stem Cell/Wnt}

> <pubchem_cids>
{72303}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 35 39  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -4.7631   -0.2500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -6.4952   -3.7500    0.0000 C   0  0
   -5.1961   -4.5000    0.0000 C   0  0
   -6.4952   -5.2500    0.0000 C   0  0
   -7.7942   -6.0000    0.0000 C   0  0
   -7.7942   -7.5000    0.0000 O   0  0
   -9.0933   -5.2500    0.0000 C   0  0
   -9.9593   -5.7500    0.0000 O   0  0
   -9.0933   -3.7500    0.0000 C   0  0
   -9.0565   -2.2505    0.0000 C   0  0
  -10.3567   -4.5216    0.0000 C   0  0
  -11.2465   -4.0652    0.0000 O   0  0
   -7.7942   -3.0000    0.0000 C   0  0
   -7.7942   -1.5000    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -5.1962   -0.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990    2.2508    0.0000 C   0  0
   -2.5983    3.0004    0.0000 O   0  0
   -0.0005    3.0016    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
  8 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 21 25  1  0
 25 14  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28  8  1  0
 28 13  1  0
 28 29  1  0
 10 30  1  0
 30  5  1  0
 30 31  1  0
 31  2  1  0
 31 32  1  0
  5 33  1  0
 33 34  1  0
 33 35  2  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13564

> <plate>
PLATE 001

> <well>
A4

> <supplier_cmpd_name>
Asiatic acid

> <ctcr_id>
6690

> <supplier_cmpd_id>
T2827

> <smiles>
CC1CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC34C)C2C1C)C(O)=O

> <pd_targets>
{PYGM,AKR1B1,AKR1B10}

> <pathway_gtopdb>
{Enzyme,Transferase,Oxidoreductase}

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

> <pathway_reactome>
{Metabolism,"Metabolism of carbohydrates","Metabolism of lipids","Metabolism of vitamins and cofactors","Glycogen metabolism","Metabolism of steroids","Metabolism of fat-soluble vitamins","Glycogen br
eakdown (glycogenolysis)","Metabolism of steroid hormones","Retinoid metabolism and transport","Pregnenolone biosynthesis"}

> <broad_targets>
{PYGM}

> <broad_moa>
{"apoptosis stimulant"}

> <synonyms>
{464-92-6,464926,"Esculentic acid","2,24-Dihydroxyursolic acid","2,24Dihydroxyursolic acid",NSC-166063,NSC166063,103974-74-9,103974749,143839-02-5,143839025,"2,3,24-Trihydroxy-12-ursen-28-oic acid","2
,3,24Trihydroxy12ursen28oic acid","Esculentic acid (Diplazium)",SCHEMBL136639,89786-83-4,89786834,BBL009967,STK801367,AKOS005613009,AC-6027,AC6027,M,S2266,"Asiatic Acid"}

> <pdid>
PD000579

> <targets>
{"p38 MAPK"}

> <classes>
{MAPK}

> <pubchem_cids>
{296191}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 21 24  0  0  0  0            999 V2000
    3.9907   -6.0749    0.0000 F   0  0
    3.2029   -4.7985    0.0000 C   0  0
    3.9144   -3.4780    0.0000 C   0  0
    3.1265   -2.2016    0.0000 C   0  0
    1.6321   -2.2464    0.0000 C   0  0
    0.9157   -3.5662    0.0000 C   0  0
    1.7035   -4.8426    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    0.0000    1.2760    0.0000 C   0  0
   -0.4623    2.7009    0.0000 S   0  0
   -1.9623    2.7008    0.0000 C   0  0
   -2.4258    1.2743    0.0000 C   0  0
   -1.2135    0.3943    0.0000 N   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.6321   -2.2464    0.0000 C   0  0
   -3.1265   -2.2016    0.0000 C   0  0
   -3.9143   -3.4780    0.0000 C   0  0
   -3.2028   -4.7985    0.0000 N   0  0
   -1.7035   -4.8426    0.0000 C   0  0
   -0.9156   -3.5662    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  1  0
 12 13  1  0
 13 14  1  0
 14 10  1  0
 14 15  1  0
 15  8  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13565

> <plate>
PLATE 001

> <well>
A5

> <supplier_cmpd_name>
SKF-86002

> <ctcr_id>
444

> <supplier_cmpd_id>
T2367

> <smiles>
Fc1ccc(cc1)c2nc3SCCn3c2c4ccncc4

> <pd_targets>
{MAPK11,MAPK12,MAPK13,MAPK14,CYP3A4,KDM4E,PTGS1,ALOX15,HPGD,LEF,HSD17B10,ALOX5}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase MAPK family","CMGC protein kinase p38 subfamily","Epigenetic regulator","Cytochrome P450",Eraser,Oxidoreductase,Proteas
e,"Cytochrome P450 family 3","Lysine demethylase","Metallo protease","Cytochrome P450 family 3A","Jumonji domain-containing","Metallo protease MAE clan","Cytochrome P450 3A4","Metallo protease M34 fam
ily"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","Chromatin modifying enzymes","Eicosanoid turnover","Kinases (EC 2.7.x.x)","CYP3 family","1.14.11.- Histone demethylases",Cyclooxygenase,"CMGC: Containing CDK",MAPK,GSK3,"CL
K families",Lipoxygenases,"Prostaglandin synthases","Mitogen-activated protein kinases (MAP kinases)","p38 subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System",Disease,"Metabolism of lipids","Innate Immune System","Infectious disease","Metabolism of amino acids and derivatives","Biosynthesis of specialized proresolving mediators (
SPMs)","Fatty acid metabolism","Toll-like Receptor Cascades","Uptake and actions of bacterial toxins","Branched-chain amino acid catabolism","Biosynthesis of DHA-derived SPMs","Arachidonic acid metabo
lism","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DPA-derived SPMs","Uptake and function of anthrax toxins","Biosynthesis of maresins","Synthesis of Prostaglandins (PG) and Thromboxanes (TX
)","MyD88 cascade initiated on plasma membrane","Biosynthesis of DPAn-3 SPMs","Biosynthesis of D-series resolvins","Biosynthesis of maresin-like SPMs","MAP kinase activation","Biosynthesis of DPAn-3-d
erived protectins and resolvins","Biosynthesis of DPAn-3-derived 13-series resolvins","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{ALOX5,MAPK14}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{KF8600,skf-86002,skf86002,72873-74-6,72873746,"Skf 86002","SK&F 86002",SKF86002,"6-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole","6(4Fluorophenyl)2,3dihydro5(4pyridinyl)imidazo(
2,1b)thiazole","6-(4-fluorophenyl)-5-(pyridin-4-yl)-2,3-dihydroimidazo(2,1-b)thiazole","6(4fluorophenyl)5(pyridin4yl)2,3dihydroimidazo(2,1b)thiazole",UNII-9R6QDF1UO7,UNII9R6QDF1UO7,9R6QDF1UO7,CHEMBL31
3417,4-(6-(,4(6(,T2367,"EMD 567305",SKF-86002,567305}

> <pdid>
PD003923

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5228}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    7.0503  -11.0244    0.0000 C   0  0
    5.5827  -10.7143    0.0000 C   0  0
    5.1163   -9.2878    0.0000 C   0  0
    3.6479   -8.9775    0.0000 S   0  0
    2.6459  -10.0938    0.0000 O   0  0
    4.1134  -10.4035    0.0000 O   0  0
    3.1815   -7.5510    0.0000 N   0  0
    1.7131   -7.2408    0.0000 C   0  0
    0.7130   -8.3588    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -2.6917   -6.3197    0.0000 F   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.4995    3.7442    0.0000 Cl  0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
    1.2449   -5.8157    0.0000 C   0  0
    2.2449   -4.6977    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  2  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 16  1  0
 24 19  1  0
 22 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 31 25  1  0
 13 32  2  0
 32  8  1  0
 32 33  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13566

> <plate>
PLATE 001

> <well>
A6

> <supplier_cmpd_name>
Vemurafenib

> <ctcr_id>
503

> <supplier_cmpd_id>
T2382

> <smiles>
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)c4ccc(Cl)cc4)c1F

> <pd_targets>
{BRAF,MAP2K1,MAP2K2,ARAF,CHRM1,RAF1,KDR,CHRM3,MAP3K20,CHRM2,FECH,KRAS}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Unclassified protein",Kinase,"Family A G protein-coupled receptor","Protein Kinase","Small molecule receptor (family A GPCR)","TKL protein kinase group","STE protein kinas
e group","Monoamine receptor","TK protein kinase group","TKL protein kinase RAF family","STE protein kinase STE7 family","Acetylcholine receptor","Tyrosine protein kinase VEGFR family","TKL protein ki
nase MLK family","TKL protein kinase MLK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","G protein-coupled receptors","3.6.5.2 Small monomeric GTPases","Receptor kinases","Acetylcholine receptors (muscarinic)","RAS subfamily","TKL: Tyrosine kinase
-like","TK: Tyrosine kinase","RAF family","Receptor tyrosine kinases (RTKs)","Mixed Lineage Kinase (MLK) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","MLK subfamil
y"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Neuronal System","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by GP
CR","MAPK family signaling cascades","Metabolism of porphyrins","Transmission across Chemical Synapses","Signaling by NTRKs","Oncogenic MAPK signaling","GPCR ligand binding","MAPK1/MAPK3 signaling","S
ignaling by VEGF","Heme biosynthesis","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by NTRK1 (TRKA)","Signaling by RAS mutants","Class A/1 (Rhodopsin-like receptors)","R
AF/MAP kinase cascade","VEGFA-VEGFR2 Pathway","Activation of NMDA receptors and postsynaptic events","Signalling to ERKs","Signaling downstream of RAS mutants","Amine ligand-binding receptors","Negati
ve regulation of MAPK pathway","VEGFR2 mediated cell proliferation","Post NMDA receptor activation events","Prolonged ERK activation events","Muscarinic acetylcholine receptors","Negative feedback reg
ulation of MAPK pathway","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","ARMS-mediated activation","Ras activation upon Ca2+ influx through NMDA receptor"}

> <broad_targets>
{BRAF,RAF1}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{Vemurafenib,918504-65-1,918504651,PLX4032,Zelboraf,1029872-54-5,1029872545,PLX-4032,RG7204,"PLX 4032","RG 7204","Vemurafenib (PLX4032, RG7204)",RO5185426,"RO 5185426",UNII-207SMY3FQT,UNII207SMY3FQT,"
Vemurafenib (PLX4032)",RG-7204,207SMY3FQT,CHEBI:63637,MFCD18074504,NSC761431,Ve,T2382,761431,S1267,"NSC 761431",vemurafenib}

> <pdid>
PD003414

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

> <classes>
{BRAF inhibitor,Autophagy,MAPK/ERK Pathway}

> <pubchem_cids>
{42611257}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 47 53  0  0  0  0            999 V2000
    6.4396   -9.0101    0.0000 C   0  0
    4.9576   -8.7783    0.0000 C   0  0
    4.4162   -7.3785    0.0000 O   0  0
    2.9334   -7.1466    0.0000 C   0  0
    2.3903   -5.7483    0.0000 C   0  0
    3.3277   -4.5763    0.0000 N   0  0
    2.7822   -3.1780    0.0000 C   0  0
    3.7175   -2.0053    0.0000 N   0  0
    3.1695   -0.6090    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 N   0  0
    2.5242    2.0130    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
    0.0000    3.2286    0.0000 O   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.4523    2.0983    0.0000 C   0  0
   -3.8856    1.6561    0.0000 C   0  0
   -4.2194    0.1937    0.0000 C   0  0
   -3.1198   -0.8265    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 N   0  0
   -1.4011   -2.9095    0.0000 C   0  0
   -2.8823   -3.0806    0.0000 C   0  0
   -3.1625   -4.5542    0.0000 C   0  0
   -1.8476   -5.2761    0.0000 C   0  0
   -0.7547   -4.2486    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.2990   -2.9545    0.0000 N   0  0
    0.9077   -5.5197    0.0000 C   0  0
   -0.0316   -6.6892    0.0000 C   0  0
    0.5116   -8.0874    0.0000 C   0  0
    1.9941   -8.3161    0.0000 C   0  0
   -0.4258   -9.2595    0.0000 C   0  0
   -1.9086   -9.0334    0.0000 O   0  0
    0.1197  -10.6577    0.0000 N   0  0
   -0.8155  -11.8305    0.0000 C   0  0
   -0.2675  -13.2268    0.0000 C   0  0
    1.2158  -13.4504    0.0000 C   0  0
    2.1510  -12.2776    0.0000 C   0  0
    1.6030  -10.8813    0.0000 C   0  0
    1.7640  -14.8474    0.0000 N   0  0
    0.8307  -16.0217    0.0000 C   0  0
    1.3809  -17.4172    0.0000 C   0  0
    2.8645  -17.6384    0.0000 N   0  0
    3.4148  -19.0338    0.0000 C   0  0
    3.7979  -16.4641    0.0000 C   0  0
    3.2477  -15.0687    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 22  1  0
 21 27  1  0
 27 10  1  0
 27 28  2  0
 28  7  1  0
  5 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32  4  1  0
 31 33  1  0
 33 34  2  0
 33 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 35  1  0
 38 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 44 46  1  0
 46 47  1  0
 47 41  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13567

> <plate>
PLATE 001

> <well>
A7

> <supplier_cmpd_name>
XMD17-109

> <ctcr_id>
11406

> <supplier_cmpd_id>
T1842

> <smiles>
CCOc1c(Nc2ncc3n(C)c(=O)c4ccccc4n(C4CCCC4)c3n2)ccc(c1)C(=O)N1CCC(CC1)N1CCN(C)CC1

> <pd_targets>
{MAPK7}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase MAPK family","CMGC protein kinase ERK5"}

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

> <pathway_reactome>
{"Immune System","Innate Immune System","Toll-like Receptor Cascades","Toll Like Receptor 5 (TLR5) Cascade","MyD88 cascade initiated on plasma membrane","MAP kinase activation","MAPK targets/ Nuclear 
events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{MAPK7}

> <broad_moa>
{"MAP kinase inhibitor"}

> <synonyms>
{MD1710,XMD17-109,XMD17109,1435488-37-1,1435488371,CHEMBL2381340,GTPL9406,SCHEMBL16065687,AOB87761,BCP09844,EX-A2184,EXA2184,BDBM50434070,s7334,ZINC96270216,AKOS025147359,ACN-043338,ACN043338,CCG-2703
11,CCG270311,CS-1436,CS1436,SB19431,"compound 26 (PMID: 24239623)",NCGC00378965-03,NCGC0037896503,BS-15121,BS15121,HY-1566,HY1566,T1842}

> <pdid>
PD012642

> <targets>
{"MAPK Family",ERK5}

> <classes>
{MAPK}

> <pubchem_cids>
{71604307}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 N   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.8193    4.6606    0.0000 C   0  0
   -4.0353    5.9336    0.0000 C   0  0
   -4.7489    7.2530    0.0000 C   0  0
   -6.2483    7.2947    0.0000 N   0  0
   -7.0341    6.0170    0.0000 C   0  0
   -6.3205    4.6976    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 N   0  0
   -6.4469    1.8311    0.0000 C   0  0
   -7.4153    2.9701    0.0000 C   0  0
   -8.8906    2.6991    0.0000 C   0  0
   -9.3937    1.2860    0.0000 C   0  0
  -10.8690    1.0150    0.0000 F   0  0
   -8.4213    0.1438    0.0000 C   0  0
   -6.9460    0.4147    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 10 17  2  0
 17 18  1  0
 18  8  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13568

> <plate>
PLATE 001

> <well>
A8

> <supplier_cmpd_name>
SB202190

> <ctcr_id>
90

> <supplier_cmpd_id>
T2301

> <smiles>
Oc1ccc(cc1)c2[nH]c(c3ccncc3)c(n2)c4ccc(F)cc4

> <pd_targets>
{EGFR,MAPK11,MAPK14,ALDH1A1,HPGD,CYP2C9,CSNK1A1,MAPK10,RIPK2,TNIK,LEF,AMPC,BRD4,BRDT,TUBA1A,PRKACA,MAPK8,BRAF,CIT,CSNK1E,MAPK12,RPS6KA1,MAPK1,ACVR1B,GSK3B,MAPK9,RAF1,GAK,PRKACB,MAP2K2,ACVR2B,COQ8B,TSH
R,ROS1,HSD17B10,KDM4E,FRK,STK36,PTK6,MAPT,BLM,TTK,CYP2C19,THPO,CDC42BPG,EPHA7,RPS6KA6,STK32B,HTR2A,ERBB4,CSNK1A1L,NTRK3,CYP2D6,CYP3A4,LATS2,IGF1R,DDR1,DDR2,SLK,NLK,CSNK1D,NTRK2,GMNN,CYP1A2,TTBK1,LMNA,
NFKB1,EPHA6,MAPK13,CDC42BPB,TTBK2,ALOX5,CLK4,PRKD3,NFO,PMP22,ALOX15,MAP4K4,GCGR,TYR}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Structural protein","Membrane receptor","Other cytosolic protein","Unclassified protein","Other nuclear protein",Kinase,Oxidoreductase,"Cytochrome P450",Protease,Hydrol
ase,Reader,"Family A G protein-coupled receptor",Eraser,"Family B G protein-coupled receptor","Protein Kinase","Cytochrome P450 family 2","Metallo protease",Bromodomain,"Peptide receptor (family A GPC
R)","Lysine demethylase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 1","Peptide receptor (family B GPCR)","TK protein kinase group","CMGC protein kina
se group","Cytochrome P450 family 2C","CK1 protein kinase group","TKL protein kinase group","STE protein kinase group","Metallo protease MAE clan","AGC protein kinase group","Other protein kinase grou
p","Atypical protein kinase group","Glycohormone receptor","Jumonji domain-containing","Monoamine receptor","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Cytochrome P450 family 1A","CAMK pr
otein kinase group","Glucagon-like receptor","Tyrosine protein kinase EGFR family","CMGC protein kinase MAPK family","Cytochrome P450 2C9","CK1 protein kinase CK1 family","TKL protein kinase RIPK fami
ly","STE protein kinase STE20 family","Metallo protease M34 family","AGC protein kinase PKA family","TKL protein kinase RAF family","AGC protein kinase DMPK family","AGC protein kinase RSK family","TK
L protein kinase STKR family","CMGC protein kinase GSK family","Other protein kinase NAK family","STE protein kinase STE7 family","Atypical protein kinase ABC1 family","Tyrosine protein kinase Sev fam
ily","Tyrosine protein kinase Src family","Other protein kinase ULK family","Other protein kinase TTK family","Cytochrome P450 2C19","Tyrosine protein kinase Eph family","AGC protein kinase YANK famil
y","Serotonin receptor","Tyrosine protein kinase Trk family","Cytochrome P450 2D6","Cytochrome P450 3A4","AGC protein kinase NDR family","Tyrosine protein kinase InsR family","Tyrosine protein kinase 
DDR family","Cytochrome P450 1A1","CMGC protein kinase CLK family","CAMK protein kinase PKD family","Glucagon receptor","CMGC protein kinase p38 subfamily","CMGC protein kinase JNK subfamily","STE pro
tein kinase MSN subfamily","AGC protein kinase CRIK subfamily","AGC protein kinase RSK subfamily","CMGC protein kinase ERK1","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase STKR Type 2 
subfamily","Atypical protein kinase ABC1-A subfamily","AGC protein kinase GEK subfamily","CK1 protein kinase CK1-a","STE protein kinase SLK subfamily","CMGC protein kinase nmo subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Catalytic receptors","Kinases (EC 2.7.x.x)","Eicosanoid turnover","Cytochrome P450","Chromatin modifying enzymes","Bromodomain-containing proteins",Tubulins
,"G protein-coupled receptors","1.-.-.- Oxidoreductases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Prostaglandin synthases","CYP2 family: drug metabolising subset","CK1: Case
in kinase 1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Enzymatic bromodomain-containing proteins","Non-enzymatic BRD containing proteins","AGC: Containing PKA",PKG,"PKC fam
ilies",Atypical,"Glycoprotein hormone receptors","1.14.11.- Histone demethylases","5-Hydroxytryptamine receptors","CYP3 family","CYP1 family",Lipoxygenases,"CAMK: Calcium/calmodulin-dependent protein 
kinases","Glucagon receptor family","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Casein kinase 1 (CK1) family","TKL: Tyrosine kinase-like","STE20 family","Bromodomain kinas
e (BRDK) family","Protein kinase A (PKA) family","DMPK family","RSK family","Glycogen synthase kinase (GSK) family","Other protein kinases","STE7 family","ABC1 family","YANK family","NDR family","Tau 
tubulin kinase (TTBK) family","CLK family","Protein kinase D (PKD) family","Receptor tyrosine kinases (RTKs)","p38 subfamily","JNK subfamily","Receptor interacting protein kinase (RIPK) family","MSN s
ubfamily","RAF family","Other DMPK family kinases","RSK subfamily","ERK subfamily","Receptor serine/threonine kinase (RSTK) family","GSK subfamily","Numb-associated kinase (NAK) family","ABC1-B subfam
ily","Non-receptor tyrosine kinases (nRTKs)","Unc-51-like kinase (ULK) family","TTK family","GEK subfamily","SLK subfamily","nmo subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family
","Type I receptor serine/threonine kinases","Type II receptor serine/threonine kinases","Type XVII RTKs: ROS receptors","Src family","Type XIII RTKs: Ephrin receptor family","Type VII RTKs: Neurotrop
hin receptor/Trk family","Type II RTKs: Insulin receptor family","Type XVI RTKs: DDR (collagen receptor) family"}

> <pathway_reactome>
{"Signal Transduction","Immune System",Metabolism,Disease,"Cellular responses to external stimuli","Cell Cycle","Developmental Biology","Vesicle-mediated transport","Neuronal System","DNA Repair",Hemo
stasis,"Extracellular matrix organization","Organelle biogenesis and maintenance","Signaling by GPCR","Innate Immune System","Biological oxidations","Metabolism of lipids","Diseases of signal transduc
tion by growth factor receptors and second messengers","Cellular responses to stress","Infectious disease",Mitotic,"Signaling by Receptor Tyrosine Kinases","Signaling by Rho GTPases","Signaling by NOD
AL","MAPK family signaling cascades","Membrane Trafficking","Intracellular signaling by second messengers","Metabolism of amino acids and derivatives","Transmission across Chemical Synapses","DNA Doub
le-Strand Break Repair","Platelet activation","signaling and aggregation","Nervous system development","Signaling by Hippo","Non-integrin membrane-ECM interactions","Signaling by WNT","Cytokine Signal
ing in Immune system","Cilium Assembly","GPCR downstream signalling","Toll-like Receptor Cascades","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)
","Signaling by WNT in cancer","Cellular Senescence","Uptake and actions of bacterial toxins","SARS-CoV Infections","Mitotic G2-G2/M phases","Signaling by NTRKs","RHO GTPase Effectors","Regulation of 
signaling by NODAL","MAPK1/MAPK3 signaling","trans-Golgi Network Vesicle Budding","DAG and IP3 signaling","Leishmania infection","Branched-chain amino acid catabolism","PIP3 activates AKT signaling","
Mitotic G1 phase and G1/S transition","Neurotransmitter receptors and postsynaptic signal transmission","Homology Directed Repair","Platelet Aggregation (Plug Formation)","Axon guidance","GPCR ligand 
binding","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Beta-catenin independent WNT signaling","M Phase","Signaling by Interleukins","Anchoring of the basal body to the plasma m
embrane","Sphingolipid metabolism","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Melanin biosynthesis","G alpha (q) signalling events","Toll Like Receptor 5 (TLR5) Cascade","Ethano
l oxidation","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Signaling by AMER1 mutants","Oxidative Stress Induced Senescence","Uptake and function of anthrax toxins
","Potential therapeutics for SARS","G2/M Transition","Signaling by NTRK1 (TRKA)","RHO GTPases activate CIT","SARS-CoV-1 Infection","RAF/MAP kinase cascade","Golgi Associated Vesicle Biogenesis","CaM 
pathway","Leishmania parasite growth and survival","PTEN Regulation","G1 Phase","Activation of NMDA receptors and postsynaptic events","HDR through Homologous Recombination (HRR) or Single Strand Anne
aling (SSA)","EPH-Ephrin signaling","Class A/1 (Rhodopsin-like receptors)","Signaling by NTRK3 (TRKC)","IGF1R signaling cascade","Ca2+ pathway","G1/S Transition","Mitotic Metaphase and Anaphase","Inte
rleukin-1 family signaling","Biosynthesis of DPA-derived SPMs","Sphingolipid de novo biosynthesis","Gastrin-CREB signalling pathway via PKC and MAPK","MyD88 cascade initiated on plasma membrane","Bios
ynthesis of D-series resolvins",Xenobiotics,"Truncations of AMER1 destabilize the destruction complex","Centrosome maturation","Signalling to ERKs","SARS-CoV-1 Genome Replication and Transcription","N
egative regulation of MAPK pathway","Calmodulin induced events","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of PTEN stability and activity","Cyclin D associated ev
ents in G1","Post NMDA receptor activation events","HDR through Homologous Recombination (HRR)","EPHA-mediated growth cone collapse","Amine ligand-binding receptors","Activated NTRK3 signals through P
I3K","Biosynthesis of maresins","IRS-related events triggered by IGF1R","Activation of TRKA receptors","Activation of the pre-replicative complex","Mitotic Anaphase","Interleukin-1 signaling","Biosynt
hesis of DPAn-3 SPMs","EGFR Transactivation by Gastrin","MAP kinase activation","CYP2E1 reactions","Loss of proteins required for interphase microtubule organization from the centrosome","Prolonged ER
K activation events","Signalling to RAS","Replication of the SARS-CoV-1 genome","Negative feedback regulation of MAPK pathway","PKA-mediated phosphorylation of CREB","ADORA2B mediated anti-inflammator
y cytokines production","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Serot
onin receptors","Long-term potentiation","Biosynthesis of maresin-like SPMs","NGF-independant TRKA activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE)
 Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived 13-series resolvins","Biosynthesis of DPAn-3-derived protectins and resolvins","MAPK targets/ Nuclear events m
ediated by MAP kinases","activated TAK1 mediates p38 MAPK activation","Loss of Nlp from mitotic centrosomes","ARMS-mediated activation","p38MAPK events","PKA activation","Frs2-mediated activation","Pr
esynaptic phase of homologous DNA pairing and strand exchange","RSK activation","Initiation of Nuclear Envelope (NE) Reformation","Activation of the AP-1 family of transcription factors","CREB phospho
rylation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{AKT1,ALOX5,CHEK1,GSK3B,LCK,MAPK1,MAPK11,MAPK12,MAPK14,MAPK8,PRKCA,ROCK1,RPS6KB1,SGK1}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{"SB 202190",152121-30-7,152121307,SB-202190,SB202190,FHPI,"SB202190 (FHPI)",4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)-1H-imidazole,4(4Fluorophenyl)2(4hydroxyphenyl)5(4pyridyl)1Himidazole,U
NII-PVX798P8GI,UNIIPVX798P8GI,4-(4-fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)imidazole,4(4fluorophenyl)2(4hydroxyphenyl)5(4pyridyl)imidazole,CHEBI:79090,4-(4-(4-fluorophenyl),4(4(4fluorophenyl),T
2301,"EMD 559388",1264,EI-294,S1077,559388}

> <pdid>
PD002796

> <targets>
{"p38 MAPK"}

> <classes>
{}

> <pubchem_cids>
{5169}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 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>
TargetMol_L1400_MAPK inhibitor library

> <id>
13569

> <plate>
PLATE 001

> <well>
A9

> <supplier_cmpd_name>
SGX-523

> <ctcr_id>
1515

> <supplier_cmpd_id>
T2293

> <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}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 14 15  0  0  0  0            999 V2000
    1.0255   -3.6140    0.0000 N   0  0
    1.6332   -2.2426    0.0000 C   0  0
    3.1247   -2.0836    0.0000 O   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 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
   -1.6317   -2.2458    0.0000 N   0  0
    0.0000    2.7767    0.0000 C   0  0
    1.1393    3.7252    0.0000 C   0  0
    0.5656    5.1112    0.0000 S   0  0
   -0.9298    4.9939    0.0000 C   0  0
   -1.2803    3.5354    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  4  2  0
  8  9  1  0
  6 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13570

> <plate>
PLATE 001

> <well>
A10

> <supplier_cmpd_name>
SC-514

> <ctcr_id>
1461

> <supplier_cmpd_id>
T2118

> <smiles>
NC(=O)c1sc(cc1N)c2cscc2

> <pd_targets>
{MAPT,IKBKB,ALDH1A1}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,Kinase,Oxidoreductase,"Protein Kinase","Other protein kinase group","Other protein kinase IKK family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","Other protein kinases","IKK family"}

> <pathway_reactome>
{"Neuronal System","Immune System",Metabolism,"Transmission across Chemical Synapses","Innate Immune System","Biological oxidations","Neurotransmitter receptors and postsynaptic signal transmission","
Toll-like Receptor Cascades","Phase I - Functionalization of compounds","Activation of NMDA receptors and postsynaptic events","Toll Like Receptor 4 (TLR4) Cascade","Ethanol oxidation","Post NMDA rece
ptor activation events","MyD88-independent TLR4 cascade","Activation of AMPK downstream of NMDARs","TRIF(TICAM1)-mediated TLR4 signaling","IKK complex recruitment mediated by RIP1"}

> <broad_targets>
{IKBKB}

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

> <synonyms>
{C51,SC-514,SC514,354812-17-2,354812172,"Sc 514","4-Amino-(2,3'-bithiophene)-5-carboxamide","4Amino(2,3'bithiophene)5carboxamide",3-amino-5-thiophen-3-ylthiophene-2-carboxamide,3amino5thiophen3ylthiop
hene2carboxamide,3-amino-5-(thiophen-3-yl)thiophene-2-carboxamide,3amino5(thiophen3yl)thiophene2carboxamide,CHEMBL193093,3-amino-5-(3-thienyl)thiophene-2-carboxamide,3amino5(3thienyl)thiophene2carboxa
mide,3-amino-5-(3-thio,3amino5(3thio,T2118,3318,EI-343,S4907,"SC 514"}

> <pdid>
PD010663

> <targets>
{IKK,I??B/IKK,I?B/IKK,IKK2}

> <classes>
{NF-?B}

> <pubchem_cids>
{2807869}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    3.9051    0.7424    0.0000 N   0  0
    3.8999   -0.7576    0.0000 C   0  0
    5.1965   -1.5117    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -3.4642    1.0046    0.0000 N   0  0
   -2.5951    3.0031    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -6.4924   -3.7566    0.0000 F   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -3.8990   -0.7525    0.0000 C   0  0
   -3.9007    0.2475    0.0000 F   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    5.1932   -3.0130    0.0000 F   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
   -0.0030   -2.9951    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  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
  8 12  1  0
 12 13  2  0
 13  5  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 14  1  0
 20 21  1  0
  4 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  2  0
 28 22  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13571

> <plate>
PLATE 001

> <well>
A11

> <supplier_cmpd_name>
VX-702

> <ctcr_id>
2192

> <supplier_cmpd_id>
T2513

> <smiles>
NC(=O)N(c1ccc(C(N)=O)c(n1)c2ccc(F)cc2F)c3c(F)cccc3F

> <pd_targets>
{ACVR2B,PRKD2,MAPK10,ROCK1,MAPK11,MAPK14,MAPK9,PI4KB,PRKD3,NLK}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","TKL protein kinase group","CAMK protein kinase group","CMGC protein kinase group","AGC protein kinase group","TKL protein kinase STKR family","CAMK protein
 kinase PKD family","CMGC protein kinase MAPK family","AGC protein kinase DMPK family","TKL protein kinase STKR Type 2 subfamily","CMGC protein kinase JNK subfamily","AGC protein kinase ROCK subfamily
","CMGC protein kinase p38 subfamily","CMGC protein kinase nmo 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","AGC: Containing
 PKA",PKG,"PKC families","Lipid modifying kinases","TKL: Tyrosine kinase-like","Protein kinase D (PKD) family","Mitogen-activated protein kinases (MAP kinases)","DMPK family","1-phosphatidylinositol 4
-kinase family","Receptor serine/threonine kinase (RSTK) family","JNK subfamily","Rho kinase","p38 subfamily","nmo subfamily","Type II receptor serine/threonine kinases"}

> <pathway_reactome>
{"Developmental Biology",Metabolism,"Immune System","Signal Transduction","Signaling by NODAL","Metabolism of lipids","Innate Immune System","Nervous system development","Signaling by WNT","Regulation
 of signaling by NODAL","Sphingolipid metabolism","Toll-like Receptor Cascades","Axon guidance","Phospholipid metabolism","Beta-catenin independent WNT signaling","Sphingolipid de novo biosynthesis","
Toll Like Receptor 5 (TLR5) Cascade","Semaphorin interactions","PI Metabolism","Ca2+ pathway","MyD88 cascade initiated on plasma membrane","Sema4D in semaphorin signaling","Synthesis of PIPs at the Go
lgi membrane","MAP kinase activation","Sema4D induced cell migration and growth-cone collapse","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription fa
ctors"}

> <broad_targets>
{IL1B,IL6,MAPK11,MAPK12,MAPK14,TNF}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{X70,VX-702,VX702,745833-23-2,745833232,479543-46-9,479543469,"VX 702","2-(2,4-difluorophenyl)-6-(1-(2,6-difluorophenyl)ureido)nicotinamide","2(2,4difluorophenyl)6(1(2,6difluorophenyl)ureido)nicotinam
ide",UNII-527E7SK68P,UNII527E7SK68P,CHEMBL1090090,527E7SK68P,"745833-23-2 (or 479543-46-9)","745833232 (or 479543469)",C19H12F4N4O2,2-(2,2(2,4-Difluorophenyl)-6-(1-(2,4Difluorophenyl)6(1(2,6-difluorop
heny,6difluoropheny,T2513,S6005}

> <pdid>
PD010657

> <targets>
{"p38 MAPK","P38 MAPK",Autophagy}

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

> <pubchem_cids>
{10341154}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 N   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -0.0103    7.5017    0.0000 C   0  0
    1.2863    8.2560    0.0000 O   0  0
   -1.3123    8.2482    0.0000 N   0  0
   -1.3178    9.7490    0.0000 C   0  0
   -2.6198   10.4955    0.0000 C   0  0
   -2.6252   11.9955    0.0000 C   0  0
   -3.9214   11.2409    0.0000 C   0  0
   -3.9163    9.7412    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -4.5642   -5.0103    0.0000 C   0  0
   -5.3141   -3.7112    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 15 17  1  0
 15 18  1  0
  4 19  2  0
 19 20  1  0
 20 21  2  0
 21  2  1  0
 20 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 25  1  0
  3 28  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13572

> <plate>
PLATE 001

> <well>
B2

> <supplier_cmpd_name>
Losmapimod

> <ctcr_id>
11418

> <supplier_cmpd_id>
T2277

> <smiles>
Fc1c(c(c2ncc(cc2)C(=O)NCC(C)(C)C)cc(c1)C(=O)NC1CC1)C

> <pd_targets>
{MAPK14,CYP2C9,MAPK11,MAPK13,MAPK12}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 2","CMGC protein kinase group","Cytochrome P450 family 2C","CMGC protein kinase MAPK family","Cytochrome P450 2C9","CMGC prote
in kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Cytochrome P450","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP2 family: drug metabolising subset","Mitogen-activated protein kinases (MAP kinases)","p38 subfami
ly"}

> <pathway_reactome>
{"Immune System",Metabolism,"Signal Transduction","Innate Immune System","Biological oxidations","Signaling by Receptor Tyrosine Kinases","Toll-like Receptor Cascades","Phase I - Functionalization of 
compounds","Signaling by NTRKs","Toll Like Receptor 5 (TLR5) Cascade","Cytochrome P450 - arranged by substrate type","Signaling by NTRK1 (TRKA)","MyD88 cascade initiated on plasma membrane",Xenobiotic
s,"Signalling to ERKs","MAP kinase activation","CYP2E1 reactions","Signalling to RAS","MAPK targets/ Nuclear events mediated by MAP kinases","p38MAPK events","Activation of the AP-1 family of transcri
ption factors"}

> <broad_targets>
{MAPK14}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{Losmapimod,585543-15-3,585543153,GSK-AHAB,GSKAHAB,GW856553,GW856553X,"Losmapimod (GW856553X)",GW-856553,UNII-F2DQF16BXE,UNIIF2DQF16BXE,F2DQF16BXE,GSK-AHAB;GW856553X;SB856553,GSKAHAB;GW856553X;SB85655
3,"Losmapimod (USAN:INN)","GW 856553X","SB 856553","Losmapimod (USAN/INN)",GTPL7835,SCHEMBL107040,T2277}

> <pdid>
PD010391

> <targets>
{"p38 MAPK",p38¦Á,p38¦Â,Autophagy}

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

> <pubchem_cids>
{11552706}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    5.2311   -3.4009    0.0000 O   0  0
    3.8056   -3.8679    0.0000 C   0  0
    3.3372   -5.2929    0.0000 N   0  0
    1.8372   -5.2877    0.0000 C   0  0
    0.9498   -6.4949    0.0000 N   0  0
   -0.5420   -6.3307    0.0000 C   0  0
   -1.4309   -7.5400    0.0000 C   0  0
   -2.9180   -7.5171    0.0000 S   0  0
   -3.3865   -8.9421    0.0000 C   0  0
   -2.1761   -9.8280    0.0000 C   0  0
   -0.9594   -8.9505    0.0000 C   0  0
    1.3786   -3.8595    0.0000 S   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  2  0
  4 12  1  0
 12 13  1  0
 13  2  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 18  1  0
 23 24  2  0
 24 15  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13573

> <plate>
PLATE 001

> <well>
B3

> <supplier_cmpd_name>
Ro 3306

> <ctcr_id>
7670

> <supplier_cmpd_id>
T2356

> <smiles>
O=C\1N=C(NCc2sccc2)SC1=C\c3ccc4ncccc4c3

> <pd_targets>
{CDK1,PRKCD,CLK2,CLK1,MAPK1,CDK2,DYRK1A,GSK3A,GSK3B,CCNA2,AURKA,CDK5,CDK5R1,CCNT1,CDK9,CCNB1,CCNE1,AURKB,CCNH,CDK7,MNAT1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","AGC protein kinase group","Other protein kinase group","CMGC protein kinase CDK family","AGC protein kinase PKC family","CMGC protein kinas
e CLK family","CMGC protein kinase MAPK family","CMGC protein kinase DYRK family","CMGC protein kinase GSK family","Other protein kinase AUR family","CMGC protein kinase CDC2 subfamily","AGC protein k
inase PKC delta subfamily","CMGC protein kinase ERK1","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase CDK9 subfamily","CMGC protein kinase CDK7 subfamily","CMGC protein kinase CDK5 subfamil
y"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","Receptor kinases","Cyclin-dependent kinase (CD
K) family","Protein kinase C (PKC) family","CLK family","Mitogen-activated protein kinases (MAP kinases)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Other protein 
kinases","CDK1 subfamily","Delta subfamily","ERK subfamily","Dyrk1 subfamily","Aurora kinase (Aur) family","CDK5 subfamily"}

> <pathway_reactome>
{"Cell Cycle","Signal Transduction","Immune System","Gene expression (Transcription)",Mitotic,"Intracellular signaling by second messengers","Innate Immune System","RNA Polymerase II Transcription","R
egulation of mitotic cell cycle","DAG and IP3 signaling","Toll-like Receptor Cascades","Generic Transcription Pathway","Mitotic G1 phase and G1/S transition","M Phase","APC/C-mediated degradation of c
ell cycle proteins","CaM pathway","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional Regulation by TP53","G0 and Early G1","Mitotic Metaphase and Anaphase","Activation of APC/C and APC/C:Cdc20 med
iated degradation of mitotic proteins","Calmodulin induced events","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity","Mitotic Anaphase","APC/C:Cdc20 mediated degradation of mi
totic proteins","MAP kinase activation","Regulation of TP53 Expression and Degradation","Regulation of TP53 Activity through Phosphorylation","Separation of Sister Chromatids","APC:Cdc20 mediated degr
adation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Cdc20:Phospho-APC/C mediated 
degradation of Cyclin A","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CDK1}

> <broad_moa>
{"CDK inhibitor"}

> <synonyms>
{T2356,"EMD 217699","Ro 3306",217699}

> <pdid>
PD012836

> <targets>
{CDK}

> <classes>
{}

> <pubchem_cids>
{11631681}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 33 35  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
   -9.0875    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 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
 17 19  1  0
 19 20  1  0
 19 21  2  0
 21 14  1  0
 12 22  2  0
 22  6  1  0
 22 23  1  0
 23 24  2  0
 24  4  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13574

> <plate>
PLATE 001

> <well>
B4

> <supplier_cmpd_name>
Pelitinib

> <ctcr_id>
2699

> <supplier_cmpd_id>
T2327

> <smiles>
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C=CCN(C)C

> <pd_targets>
{MERTK,AXL,TIE1,ABL1,MYLK2,ERBB2,EGFR,FGR,ABL2,CSK,GAK,SRC,STK36,PHKG2,AAK1,HCK,STK17A,PKMYT1,BTK,KDR,PIP4K2B,CSNK1A1L,ALK,MARK1,MET,STK4,STK3,SLK,CIT,LCK,CSNK1E,CLK2,EIF2AK2,SYK,YES1,STK25,DYRK1B,NUA
K2,NEK2,STK24,WEE1,TEK,BMX,ERBB4,MAP3K4,COQ8B,TXK,NEK1,TNK2,CLK3,CLK1,EPHA5,CLK4,EPHA3,PHKG1,TNIK,PTK2,FER,FYN,EPHB1,EPHA6,FRK,PRKCD,EPHB4,STK38L,FLT3,STK10,MAP2K1,JAK3,SIK2,MAP4K3,BLK,STK32B,MAP3K20,
CAMKK2,CAMKK1,EPHA8,MAP4K4,TNNI3K,DMPK,DCLK3,MAP2K2,CAMK1D,TYRO3,WEE2,CDK16,PAK1,STK17B,MAP4K5,DAPK3,JAK2,TUBA1A,ITK,STK33,CSF1R,CSNK1D,FES,BMP2K,LYN,CHEK1,RPS6KA2,EIF2AK4,MAP4K1,ULK3,MAP3K12}

> <pathway_gtopdb>
{Enzyme,"Structural protein",Kinase,"Protein Kinase","TK protein kinase group","CAMK protein kinase group","Other protein kinase group","CK1 protein kinase group","TKL protein kinase group","STE prote
in kinase group","AGC protein kinase group","CMGC protein kinase group","Atypical protein kinase group","Tyrosine protein kinase Axl family","Tyrosine protein kinase Tie family","Tyrosine protein kina
se Abl family","CAMK protein kinase MLCK family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Tyrosine protein kinase Csk family","Other protein kinase NAK family","Othe
r protein kinase ULK family","CAMK protein kinase PHk family","CAMK protein kinase DAPK family","Other protein kinase WEE family","Tyrosine protein kinase Tec family","Tyrosine protein kinase VEGFR fa
mily","CK1 protein kinase CK1 family","TKL protein kinase STKR family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Met family","STE protein kinase STE20 family","AGC protein kinase DMP
K family","CMGC protein kinase CLK family","Other protein kinase PEK family","Tyrosine protein kinase Syk family","CMGC protein kinase DYRK family","Other protein kinase NEK family","STE protein kinas
e STE11 family","Atypical protein kinase ABC1 family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Eph family","Tyrosine protein kinase Fak family","Tyrosine protein kinase Fer family
","AGC protein kinase PKC family","AGC protein kinase NDR family","Tyrosine protein kinase PDGFR family","STE protein kinase STE7 family","Tyrosine protein kinase JakA family","AGC protein kinase YANK
 family","TKL protein kinase MLK family","Other protein kinase CAMKK family","CAMK protein kinase DCAMK1 family","CMGC protein kinase CDK family","CAMK protein kinase unique family","AGC protein kinas
e RSK family","CK1 protein kinase CK1-a","TKL protein kinase STKR Type 1 subfamily","CAMK protein kinase MARK subfamily","STE protein kinase MST subfamily","STE protein kinase SLK subfamily","AGC prot
ein kinase CRIK subfamily","Other protein kinase PKR","STE protein kinase YSK subfamily","CMGC protein kinase Dyrk1 subfamily","CAMK protein kinase NuaK subfamily","Atypical protein kinase ABC1-A subf
amily","STE protein kinase MSN subfamily","Tyrosine protein kinase SrcA","AGC protein kinase PKC delta subfamily","CAMK protein kinase QIK subfamily","STE protein kinase KHS subfamily","TKL protein ki
nase MLK subfamily","Other protein kinase Meta subfamily","TKL protein kinase HH498 subfamily","AGC protein kinase GEK subfamily","Other protein kinase WEE1","CMGC protein kinase TAIRE subfamily","STE
 protein kinase PAKA subfamily","CAMK protein kinase CHK1 subfamily","AGC protein kinase RSK subfamily","Other protein kinase GCN2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Catalytic receptors","Kinases (EC 2.7.x.x)",Tubulins,"Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","Lipid modifying kinases","CK1:
 Casein kinase 1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Atypical,"TK: Tyrosine k
inase","Myosin Light Chain Kinase (MLCK) family","Other protein kinases","Phosphorylase kinase (PHK) family","Death-associated kinase (DAPK) family","Type II PIP kinases (1-phosphatidylinositol-5-phos
phate 4-kinase family)","Casein kinase 1 (CK1) family","CAMK-like (CAMKL) family","STE20 family","DMPK family","CLK family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) famil
y","STE11 family","ABC1 family","Protein kinase C (PKC) family","NDR family","STE7 family","YANK family","TKL: Tyrosine kinase-like","DCAMKL family","CAMK1 family","Cyclin-dependent kinase (CDK) famil
y","CAMK-unique family","RSK family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Numb-associated kinase (NAK) family","Unc-51-like kinase (ULK) family","NAK family","WE
E family","MARK subfamily","MST subfamily","SLK subfamily","Other DMPK family kinases","PEK family","YSK subfamily","Dyrk1 subfamily","NuaK subfamily","NIMA (never in mitosis gene a)- related kinase (
NEK) family","ABC1-B subfamily","MSN subfamily","Delta subfamily","QIK subfamily","KHS subfamily","Mixed Lineage Kinase (MLK) family","CAMKK family","GEK subfamily","TAIRE subfamily","PAKA subfamily",
"CHK1 subfamily","RSK subfamily","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Abl family","Type I RTKs: ErbB (epidermal growth 
factor) receptor family","Src family","Csk family","Tec family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor famil
y","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Other PEK family kinases","Syk family","Ack family","Type XIII RTKs: Ephrin receptor family","Fak family","Fer family","Type III RTKs:
 PDGFR",CSFR,Kit,"FLT3 receptor family","Janus kinase (JakA) family","MLK subfamily","Meta subfamily","HH498 subfamily","GCN2 subfamily","LZK subfamily"}

> <pathway_reactome>
{Hemostasis,"Signal Transduction",Disease,"Developmental Biology","Vesicle-mediated transport",Metabolism,"Cell Cycle","Gene expression (Transcription)","Programmed Cell Death","Neuronal System","Immu
ne System","Cellular responses to external stimuli","Muscle contraction","DNA Repair","Cell surface interactions at the vascular wall","Signaling by Receptor Tyrosine Kinases","Infectious disease","Ne
rvous system development","Signaling by GPCR","Diseases of signal transduction by growth factor receptors and second messengers","Membrane Trafficking","Metabolism of carbohydrates",Mitotic,"RNA Polym
erase II Transcription","Signaling by Hippo","Signaling by Rho GTPases",Apoptosis,"Cell Cycle Checkpoints","MAPK family signaling cascades","Metabolism of lipids","Transmission across Chemical Synapse
s","Innate Immune System","Cellular responses to stress","Intracellular signaling by second messengers","Cytokine Signaling in Immune system","Cardiac conduction","Adaptive Immune System","DNA Double-
Strand Break Repair","Signaling by Hedgehog","Signaling by VEGF","Leishmania infection","Axon guidance","GPCR downstream signalling","Oncogenic MAPK signaling","trans-Golgi Network Vesicle Budding","S
ignaling by NTRKs","Glycogen metabolism","Clathrin-mediated endocytosis","HIV Infection","Mitotic G2-G2/M phases","Generic Transcription Pathway","RHO GTPase Effectors","Influenza Infection","Regulati
on of mitotic cell cycle","Apoptotic execution phase","G2/M Checkpoints","MAPK1/MAPK3 signaling","Phospholipid metabolism","Neurotransmitter receptors and postsynaptic signal transmission","Fc epsilon
 receptor (FCERI) signaling","Cellular Senescence","Signaling by SCF-KIT","PIP3 activates AKT signaling","DAG and IP3 signaling","Signaling by Insulin receptor","Neutrophil degranulation","Signaling b
y Interleukins","Ion homeostasis","Caspase activation via extrinsic apoptotic signalling pathway","Mitotic G1 phase and G1/S transition","TCR signaling","Homology Directed Repair","Toll-like Receptor 
Cascades","Response of EIF2AK4 (GCN2) to amino acid deficiency","Hedgehog 'on' state","VEGFA-VEGFR2 Pathway","Parasite infection","Semaphorin interactions","G alpha (q) signalling events","Leishmania 
parasite growth and survival","Signaling by ROBO receptors","Signaling by RAS mutants","Golgi Associated Vesicle Biogenesis","Signaling by NTRK1 (TRKA)","Glycogen breakdown (glycogenolysis)","Cargo re
cognition for clathrin-mediated endocytosis","Host Interactions of HIV factors","G2/M Transition","Transcriptional Regulation by TP53","RHO GTPases activate CIT","NS1 Mediated Effects on Host Pathways
","APC/C-mediated degradation of cell cycle proteins","Apoptotic cleavage of cellular proteins","G2/M DNA damage checkpoint","RAF/MAP kinase cascade","PI Metabolism","Activation of NMDA receptors and 
postsynaptic events","FCERI mediated Ca+2 mobilization","EPH-Ephrin signaling","Oxidative Stress Induced Senescence","PTEN Regulation","CaM pathway","Insulin receptor signalling cascade","Interleukin-
2 family signaling","Transcriptional regulation by RUNX1","Caspase activation via Dependence Receptors in the absence of ligand","G1 Phase","Generation of second messenger molecules","Transcriptional 
Regulation by VENTX","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Toll Like Receptor 5 (TLR5) Cascade","Leishmania phagocytosis","Sema4D in semaphorin signaling","Gas
trin-CREB signalling pathway via PKC and MAPK","Anti-inflammatory response favouring Leishmania parasite infection","Role of ABL in ROBO-SLIT signaling","Signaling downstream of RAS mutants","Signalli
ng to ERKs","The role of Nef in HIV-1 replication and disease pathogenesis","Cyclin A/B1/B2 associated events during G2/M transition","VEGFR2 mediated cell proliferation","Regulation of TP53 Activity"
,"Centrosome maturation","Inhibition of PKR","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","Synthesis 
of PIPs at the plasma membrane","Post NMDA receptor activation events","EPHA-mediated growth cone collapse","EPHB-mediated forward signaling","Regulation of PTEN stability and activity","Calmodulin in
duced events","IRS-mediated signalling","Interleukin-15 signaling","RUNX1 regulates transcription of genes involved in BCR signaling","Cyclin D associated events in G1","CRMPs in Sema3A signaling","HD
R through Homologous Recombination (HRR)","MyD88 cascade initiated on plasma membrane","FCGR3A-mediated phagocytosis","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by 
Gastrin","FCGR3A-mediated IL10 synthesis","Signalling to RAS","Nef and signal transduction","Regulation of TP53 Activity through Acetylation","Sema4D mediated inhibition of cell attachment and migrati
on","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Loss of proteins required for interphase microtubule organization from the centrosome","APC/C:Cdc2
0 mediated degradation of mitotic proteins","Long-term potentiation","PI3K Cascade","Prolonged ERK activation events","Activation of AMPK downstream of NMDARs","Activation of RAC1 downstream of NMDARs
","Homologous DNA Pairing and Strand Exchange","MAP kinase activation","p38MAPK events","PI5P Regulates TP53 Acetylation","Nef Mediated CD4 Down-regulation","Loss of Nlp from mitotic centrosomes","APC
:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Frs2-mediated activation","Presynaptic phase of homologous DNA pairing and strand exchange","MAPK
 targets/ Nuclear events mediated by MAP kinases","APC-Cdc20 mediated degradation of Nek2A","CREB phosphorylation"}

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{CHEMBL2135461,HMS3295K19,HMS3654P21,NCGC00263103-01,NCGC0026310301,AK170455,DB-068677,DB068677,FT-0654148,FT0654148,FT-0771104,FT0771104,Q27163271,S1392,Pelitinib,"Pelitinib (EKB-569)"}

> <pdid>
PD011006

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

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{216467}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 65 71  0  0  1  0            999 V2000
    1.2889   -5.8027    0.0000 C   0  0  1  0  0  0
    2.2806   -4.6772    0.0000 C   0  0  1  0  0  0
    3.7511   -4.9733    0.0000 C   0  0  2  0  0  0
    4.2300   -6.3948    0.0000 C   0  0  1  0  0  0
    3.2383   -7.5202    0.0000 C   0  0  2  0  0  0
    1.7678   -7.2242    0.0000 O   0  0
    3.7204   -8.9416    0.0000 C   0  0
    2.7318  -10.0697    0.0000 O   0  0
    5.7005   -6.6908    0.0000 O   0  0
    4.4122   -4.2230    0.0000 O   0  0
    1.9614   -3.7296    0.0000 O   0  0
   -0.1818   -5.5036    0.0000 O   0  0
   -0.6590   -4.0805    0.0000 C   0  0  1  0  0  0
    0.8112   -4.3783    0.0000 C   0  0
   -2.1306   -3.7857    0.0000 C   0  0
   -3.1224   -4.9120    0.0000 C   0  0
   -4.5940   -4.6171    0.0000 C   0  0
   -5.5859   -5.7435    0.0000 C   0  0
   -7.0566   -5.4488    0.0000 C   0  0
   -5.2661   -6.6910    0.0000 C   0  0
    0.3326   -2.9571    0.0000 C   0  0  1  0  0  0
    1.8253   -3.1044    0.0000 C   0  0
    2.4266   -1.7302    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0  1  0  0  0
    1.2990    3.7500    0.0000 C   0  0  1  0  0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0  2  0  0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2991    2.2500    0.0000 C   0  0
   -0.0001    7.5000    0.0000 O   0  0
    2.5800    4.4696    0.0000 C   0  0
    1.2638    6.7496    0.0000 C   0  0
    3.8994    3.7478    0.0000 O   0  0
    5.1980    2.9955    0.0000 C   0  0  1  0  0  0
    6.4997    3.7410    0.0000 C   0  0  1  0  0  0
    7.7962    2.9865    0.0000 C   0  0  2  0  0  0
    7.7910    1.4865    0.0000 C   0  0  1  0  0  0
    6.4894    0.7410    0.0000 C   0  0  2  0  0  0
    5.1929    1.4955    0.0000 O   0  0
    6.4873   -0.7598    0.0000 C   0  0
    7.7848   -1.5125    0.0000 O   0  0
    9.0874    0.7320    0.0000 O   0  0
    9.0978    3.7320    0.0000 O   0  0
    6.5019    5.2418    0.0000 O   0  0
    5.2037    5.9949    0.0000 C   0  0  1  0  0  0
    5.2036    7.4949    0.0000 C   0  0  1  0  0  0
    3.9046    8.2450    0.0000 C   0  0  2  0  0  0
    2.6056    7.4950    0.0000 C   0  0  1  0  0  0
    2.6055    5.9950    0.0000 C   0  0
    3.9045    5.2450    0.0000 O   0  0
    1.3065    8.2450    0.0000 O   0  0
    3.9047    9.7450    0.0000 O   0  0
    6.5027    8.2449    0.0000 O   0  0
    2.1651    0.2500    0.0000 C   0  0
    2.2090   -0.3353    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  1
  7  8  1  0
  4  9  1  6
  3 10  1  1
  2 11  1  6
  1 12  1  1
 12 13  1  0
 13 14  1  6
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  3
 18 19  1  0
 18 20  1  0
 13 21  1  0
 21 22  1  6
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  6
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 33 34  1  0
 34 25  1  0
 34 35  1  6
 35 36  1  0
 37 36  1  1
 37 21  1  0
 37 24  1  0
 36 38  1  6
 33 39  1  6
 30 40  1  6
 29 41  1  0
 29 42  1  0
 27 43  1  1
 44 43  1  1
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 44  1  0
 48 50  1  1
 50 51  1  0
 47 52  1  6
 46 53  1  1
 45 54  1  6
 55 54  1  6
 55 56  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  1  0
 60 55  1  0
 58 61  1  1
 57 62  1  6
 56 63  1  1
 25 64  1  6
 24 65  1  1
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13575

> <plate>
PLATE 001

> <well>
B5

> <supplier_cmpd_name>
Notoginsenoside R1

> <ctcr_id>
11889

> <supplier_cmpd_id>
T2961

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD056363

> <targets>
{Others,ERK1,ERK2}

> <classes>
{MAPK}

> <pubchem_cids>
{441934}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 66 72  0  0  1  0            999 V2000
   -1.3065   -3.7452    0.0000 C   0  0  1  0  0  0
   -1.3065   -5.2452    0.0000 C   0  0  1  0  0  0
   -2.6055   -5.9953    0.0000 C   0  0  1  0  0  0
   -3.9046   -5.2453    0.0000 C   0  0  2  0  0  0
   -3.9047   -3.7453    0.0000 C   0  0  1  0  0  0
   -2.6056   -2.9953    0.0000 O   0  0
   -5.2037   -2.9954    0.0000 C   0  0
   -5.2036   -5.9954    0.0000 O   0  0
   -2.6055   -7.4953    0.0000 O   0  0
   -0.4405   -5.7452    0.0000 O   0  0
   -0.0053   -2.9973    0.0000 O   0  0
    1.2935   -3.7495    0.0000 C   0  0  1  0  0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    3.8915   -3.7585    0.0000 O   0  0
    3.8864   -5.2585    0.0000 C   0  0  1  0  0  0
    2.5847   -6.0040    0.0000 C   0  0  2  0  0  0
    1.2883   -5.2495    0.0000 C   0  0  2  0  0  0
    0.4206   -5.7465    0.0000 O   0  0
    2.5796   -7.5040    0.0000 O   0  0
    5.1851   -6.0107    0.0000 C   0  0
    5.1839   -7.5107    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    3.8976   -0.7537    0.0000 C   0  0  2  0  0  0
    3.9019    0.7463    0.0000 C   0  0  1  0  0  0
    2.6050    1.5000    0.0000 C   0  0
    2.6093    3.0000    0.0000 C   0  0  2  0  0  0
    3.9104    3.7463    0.0000 C   0  0
    5.2073    2.9926    0.0000 C   0  0
    5.2031    1.4926    0.0000 C   0  0  2  0  0  0
    6.4999    0.7389    0.0000 C   0  0  2  0  0  0
    6.4957   -0.7611    0.0000 C   0  0  1  0  0  0
    5.1945   -1.5074    0.0000 C   0  0
    7.7926   -1.5148    0.0000 C   0  0  2  0  0  0
    8.0735   -2.9822    0.0000 C   0  0
    9.5637   -3.1528    0.0000 C   0  0
   10.1865   -1.7882    0.0000 C   0  0  1  0  0  0
    9.0937   -0.7685    0.0000 C   0  0  1  0  0  0
    9.0980    0.7315    0.0000 C   0  0  1  0  0  0
    7.8011    1.4852    0.0000 C   0  0
   10.3992    1.4778    0.0000 O   0  0
   11.6560   -1.4954    0.0000 C   0  0  2  0  0  0
   11.1747   -2.9160    0.0000 C   0  0
   12.1404   -0.0749    0.0000 C   0  0
   11.1532    1.0555    0.0000 C   0  0
   11.6377    2.4760    0.0000 C   0  0
   10.6504    3.6065    0.0000 C   0  0
   11.1346    5.0262    0.0000 C   0  0
    9.6693    3.4131    0.0000 C   0  0
   12.6466   -2.6229    0.0000 O   0  0
   14.1185   -2.3297    0.0000 C   0  0  1  0  0  0
   15.1102   -3.4551    0.0000 C   0  0  1  0  0  0
   16.5807   -3.1591    0.0000 C   0  0  2  0  0  0
   17.0596   -1.7376    0.0000 C   0  0  1  0  0  0
   16.0680   -0.6122    0.0000 C   0  0  2  0  0  0
   14.5975   -0.9082    0.0000 O   0  0
   16.5501    0.8091    0.0000 C   0  0
   18.0210    1.1031    0.0000 O   0  0
   18.5301   -1.4416    0.0000 O   0  0
   17.5723   -4.2846    0.0000 O   0  0
   14.6313   -4.8767    0.0000 O   0  0
    6.9768   -2.0932    0.0000 C   0  0
    6.4928   -1.7611    0.0000 C   0  0
    6.5042    2.2389    0.0000 C   0  0
    1.3124    3.7537    0.0000 O   0  0
    2.6361    0.0003    0.0000 C   0  0
    1.3261    2.2840    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  6
  4  8  1  1
  3  9  1  6
  2 10  1  6
  1 11  1  1
 12 11  1  1
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 17 18  1  6
 16 19  1  1
 15 20  1  6
 20 21  1  0
 13 22  1  6
 23 22  1  6
 23 24  1  0
 24 25  1  1
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 23  1  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 36 35  1  1
 37 36  1  6
 37 33  1  0
 37 38  1  0
 38 39  1  0
 30 39  1  1
 38 40  1  1
 36 41  1  0
 41 42  1  1
 41 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  2  3
 46 47  1  0
 46 48  1  0
 41 49  1  0
 50 49  1  6
 50 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 50  1  0
 54 56  1  6
 56 57  1  0
 53 58  1  1
 52 59  1  6
 51 60  1  1
 33 61  1  6
 31 62  1  1
 29 63  1  1
 26 64  1  1
 25 65  1  0
 25 66  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13576

> <plate>
PLATE 001

> <well>
B6

> <supplier_cmpd_name>
Ginsenoside Re

> <ctcr_id>
11892

> <supplier_cmpd_id>
T2872

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

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

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

> <pdid>
PD018664

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

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

> <pubchem_cids>
{441921}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    2.5875   -5.9994    0.0000 C   0  0
    3.8888   -5.2533    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981    3.0000    0.0000 O   0  0
    2.5981    1.5000    0.0000 O   0  0
    6.4924   -3.7566    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 19  9  1  0
 16 20  1  0
 14 21  1  0
 10 22  1  0
  4 23  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13577

> <plate>
PLATE 001

> <well>
B7

> <supplier_cmpd_name>
Isorhamnetin

> <ctcr_id>
12243

> <supplier_cmpd_id>
T2836

> <smiles>
COc1c(ccc(c1)c1c(c(=O)c2c(cc(cc2o1)O)O)O)O

> <pd_targets>
{CA12,CYP1A2,MAPK14,MAPK10,CA4,CA2,FABG,CYP1B1,KMT2A,MEN1,IP6K2,CA7,CYP1A1,XDH,AURKB,FABI,IPMK}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Lyase,"Cytochrome P450",Kinase,Reader,Transferase,Oxidoreductase,"Cytochrome P450 family 1","Protein Kinase",Bromodomain,"Cytochrome P450 family 1A","CMGC protein kinase
 group","Cytochrome P450 family 1B","Other protein kinase group","Cytochrome P450 1A1","CMGC protein kinase MAPK family","Cytochrome P450 1B1","Other protein kinase AUR family","CMGC protein kinase p3
8 subfamily","CMGC protein kinase JNK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Carbonic anhydrases","Cytochrome P450","Kinases (EC 2.7.x.x)","1.-.-.- Oxidoreductases","Catalytic receptors","CYP1 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Recepto
r kinases","Mitogen-activated protein kinases (MAP kinases)","Other protein kinases","p38 subfamily","JNK subfamily","Aurora kinase (Aur) family"}

> <pathway_reactome>
{Metabolism,"Immune System","Transport of small molecules","Cell Cycle","Reversible hydration of carbon dioxide","Biological oxidations","Innate Immune System","O2/CO2 exchange in erythrocytes","Cytok
ine Signaling in Immune system","Metabolism of nucleotides",Mitotic,"Inositol phosphate metabolism","Phase I - Functionalization of compounds","Toll-like Receptor Cascades","Erythrocytes take up carbo
n dioxide and release oxygen","Interferon Signaling","Nucleobase catabolism","M Phase","Synthesis of IPs in the nucleus","Cytochrome P450 - arranged by substrate type","Toll Like Receptor 5 (TLR5) Cas
cade","Interferon alpha/beta signaling","Purine catabolism","Mitotic Metaphase and Anaphase",Xenobiotics,"MyD88 cascade initiated on plasma membrane","Endogenous sterols","Mitotic Anaphase","Aromatic 
amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP kinase activation","Separation of Sister Chromatids","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family
 of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Isorhamnetin,480-19-3,480193,3-Methylquercetin,3Methylquercetin,Isorhamnetol,"Quercetin 3'-methyl ether","Quercetin 3'methyl ether",3'-Methoxyquercetin,3'Methoxyquercetin,isorhamnetine,3'-O-Methylque
rcetin,3'OMethylquercetin,"3'-Methoxy-3,4',5,7-tetrahydroxyflavone","3'Methoxy3,4',5,7tetrahydroxyflavone",3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one,7Trihydroxy2(4hydroxy3methoxy
phenyl)4Hchromen4one,T2836}

> <pdid>
PD018337

> <targets>
{MEK,PI3K,Endogenous Metabolite}

> <classes>
{MAPK,PI3K/Akt/mTOR,MAPK/ERK Pathway,Metabolic Enzyme/Protease}

> <pubchem_cids>
{5281654}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 67 74  0  0  1  0            999 V2000
    3.8973    3.7504    0.0000 C   0  0  2  0  0  0
    2.5983    3.0004    0.0000 C   0  0  2  0  0  0
    1.2993    3.7504    0.0000 C   0  0  1  0  0  0
    1.2992    5.2504    0.0000 C   0  0  1  0  0  0
    2.5983    6.0004    0.0000 C   0  0  1  0  0  0
    3.8973    5.2504    0.0000 C   0  0
    2.5983    7.5004    0.0000 O   0  0
    0.0002    6.0004    0.0000 O   0  0
    1.3357    2.2704    0.0000 C   0  0
    0.0755    1.4568    0.0000 O   0  0
    0.0190    4.5320    0.0000 C   0  0
    2.5983    1.5004    0.0000 C   0  0
    3.8973    0.7504    0.0000 C   0  0
    5.1964    1.5004    0.0000 C   0  0  2  0  0  0
    5.1964    3.0004    0.0000 C   0  0  2  0  0  0
    6.4954    3.7504    0.0000 C   0  0
    7.7945    3.0004    0.0000 C   0  0
    7.7945    1.5004    0.0000 C   0  0
    6.4954    0.7504    0.0000 C   0  0  1  0  0  0
    6.4954   -0.7496    0.0000 C   0  0
    7.7945   -1.4996    0.0000 C   0  0
    9.0935   -0.7496    0.0000 C   0  0  2  0  0  0
    9.0935    0.7504    0.0000 C   0  0  1  0  0  0
   10.3925    1.5005    0.0000 C   0  0  2  0  0  0
   11.6916    0.7505    0.0000 C   0  0  1  0  0  0
   11.6916   -0.7495    0.0000 C   0  0
   10.3926   -1.4995    0.0000 C   0  0
   12.9906    1.5005    0.0000 C   0  0
   10.3925    3.0005    0.0000 C   0  0
    7.7938    0.0009    0.0000 C   0  0
    7.7942    1.5009    0.0000 O   0  0
    6.4935   -0.7487    0.0000 O   0  0
    6.4916   -2.2496    0.0000 C   0  0  1  0  0  0
    7.7882   -3.0039    0.0000 C   0  0  1  0  0  0
    7.7832   -4.5039    0.0000 C   0  0  2  0  0  0
    6.4817   -5.2496    0.0000 C   0  0  1  0  0  0
    5.1852   -4.4954    0.0000 C   0  0  2  0  0  0
    5.1901   -2.9954    0.0000 O   0  0
    3.8845   -5.2442    0.0000 C   0  0
    3.8817   -6.7450    0.0000 O   0  0
    2.5810   -7.4938    0.0000 C   0  0  1  0  0  0
    2.5760   -8.9938    0.0000 C   0  0  1  0  0  0
    1.2745   -9.7395    0.0000 C   0  0  2  0  0  0
   -0.0221   -8.9853    0.0000 C   0  0  1  0  0  0
   -0.0172   -7.4853    0.0000 C   0  0  2  0  0  0
    1.2843   -6.7396    0.0000 O   0  0
   -1.3160   -6.7333    0.0000 C   0  0
   -2.6165   -7.4809    0.0000 O   0  0
   -1.3228   -9.7341    0.0000 O   0  0
   -1.3255  -11.2349    0.0000 C   0  0  1  0  0  0
   -2.6244  -11.9853    0.0000 C   0  0  1  0  0  0
   -2.6242  -13.4853    0.0000 C   0  0  1  0  0  0
   -1.3250  -14.2350    0.0000 C   0  0  2  0  0  0
   -0.0261  -13.4848    0.0000 C   0  0  1  0  0  0
   -0.0264  -11.9848    0.0000 O   0  0
    1.2731  -14.2346    0.0000 C   0  0
   -1.3247  -15.7350    0.0000 O   0  0
   -3.9231  -14.2355    0.0000 O   0  0
   -3.9236  -11.2356    0.0000 O   0  0
    1.2696  -11.2395    0.0000 O   0  0
    3.8725   -9.7481    0.0000 O   0  0
    6.4768   -6.7496    0.0000 O   0  0
    9.0798   -5.2582    0.0000 O   0  0
    9.0897   -2.2583    0.0000 O   0  0
    5.1964    0.0004    0.0000 C   0  0
    6.4954    2.2504    0.0000 C   0  0
    5.1964    4.5004    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  6
  4  8  1  6
  3  9  1  0
  9 10  1  0
  3 11  1  1
  2 12  1  1
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15  1  1  0
 15 16  1  1
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 14  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  6
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 25 28  1  6
 24 29  1  1
 22 30  1  1
 30 31  2  0
 30 32  1  0
 33 32  1  1
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 33  1  0
 37 39  1  1
 39 40  1  0
 41 40  1  1
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 41  1  0
 45 47  1  1
 47 48  1  0
 44 49  1  6
 50 49  1  6
 50 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 50  1  0
 54 56  1  1
 53 57  1  6
 52 58  1  1
 51 59  1  1
 43 60  1  1
 42 61  1  6
 36 62  1  6
 35 63  1  1
 34 64  1  6
 19 65  1  6
 14 66  1  1
  1 67  1  1
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13578

> <plate>
PLATE 001

> <well>
B8

> <supplier_cmpd_name>
Asiaticoside

> <ctcr_id>
11720

> <supplier_cmpd_id>
T3025

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

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

> <synonyms>
{T3025,Asiaticoside}

> <pdid>
PD000690

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

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

> <pubchem_cids>
{133640195}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 23 24  0  0  1  0            999 V2000
    9.0983   -0.7368    0.0000 O   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0  1  0  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
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -3.9021   -3.7405    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -5.2088   -5.9860    0.0000 I   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -0.0127   -6.0039    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  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 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
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13579

> <plate>
PLATE 001

> <well>
B9

> <supplier_cmpd_name>
Pimasertib

> <ctcr_id>
7572

> <supplier_cmpd_id>
T6131

> <smiles>
OC[C@@H](O)CNC(=O)c1ccncc1Nc2ccc(I)cc2F

> <pd_targets>
{MAP2K1,MAP2K2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","STE protein kinase group","STE protein kinase STE7 family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","STE7 family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by NTRKs","Signaling by NTRK1 (TRKA)","Signalling to ERKs","Prolonged ERK activation events","Frs2-mediated activation"}

> <broad_targets>
{MAP2K1,MAP2K2}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{Pimasertib,1236699-92-5,1236699925,AS703026,"Pimasertib (AS-703026)","Pimasertib (AS703026)",AS-703026,MSC1936369B,"AS 703026",UNII-6ON9RK82AL,UNII6ON9RK82AL,6ON9RK82AL,1204531-26-9,1204531269,"(S)-N
-(2,3-dihydroxypropyl)-3-(2-fluoro-4-iodophenylamino)isonicotinamide","(S)N(2,3dihydroxypropyl)3(2fluoro4iodophenylamino)isonicotinamide",C15H15FIN3O3,(S)-N-(2,(S)N(2,3-dihydroxypropyl),3dihydroxyprop
yl),S1475}

> <pdid>
PD011176

> <targets>
{MEK}

> <classes>
{}

> <pubchem_cids>
{44187362}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 F   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
    1.2946    3.7547    0.0000 C   0  0
    2.5943    3.0056    0.0000 C   0  0
    3.8928    3.7565    0.0000 C   0  0
    3.8918    5.2565    0.0000 C   0  0
    5.1903    6.0074    0.0000 Br  0  0
    2.5923    6.0056    0.0000 C   0  0
    1.2937    5.2548    0.0000 C   0  0
   -0.0058    6.0039    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0983    0.7368    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
  8 18  2  0
 18 19  1  0
 19 20  2  0
 20  2  1  0
 20  5  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13580

> <plate>
PLATE 001

> <well>
B10

> <supplier_cmpd_name>
Selumetinib

> <ctcr_id>
2560

> <supplier_cmpd_id>
T6218

> <smiles>
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO

> <pd_targets>
{EGFR,MAP2K1,MAP2K2,MAP3K1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","STE protein kinase group","Tyrosine protein kinase EGFR family","STE protein kinase STE7 family","STE protein kinase STE11 family"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","TK: Tyrosine kinase","STE7 family","Receptor ty
rosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","STE11 family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","GPCR downstream signalling","Signaling by NTRKs","G alpha (q) signalling events","Signaling by NTRK1 (TRKA)","Gastr
in-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","EGFR Transactivation by Gastrin","Prolonged ERK activation events","Frs2-mediated activation","Immune System","Innate Immune System",
"Toll-like Receptor Cascades","Toll Like Receptor 2 (TLR2) Cascade","Toll Like Receptor TLR6:TLR2 Cascade","MyD88:MAL(TIRAP) cascade initiated on plasma membrane"}

> <broad_targets>
{MAP2K1}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{Selumetinib,606143-52-6,606143526,AZD6244,"AZD 6244",ARRY-142886,ARRY142886,AZD-6244,"Selumetinib (AZD6244)","ARRY 142886","AZD6244 (Selumetinib)",ARRY-886,ARRY886,UNII-6UH91I579U,UNII6UH91I579U,CHEM
BL1614701,CHEBI:90227,6UH91I579U,NCGC00189073-01,NCGC0018907301,NCGC00189073-02,NCGC0018907302,C17H15BrClFN4O,T2508,T6218,S1008,Binimetinib,AZD6244(Selumetinib)}

> <pdid>
PD003249

> <targets>
{MEK}

> <classes>
{}

> <pubchem_cids>
{10127622}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
   10.3996   -1.4837    0.0000 O   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    7.8029   -2.9887    0.0000 O   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
   -1.2946   -3.7547    0.0000 C   0  0
   -2.5943   -3.0056    0.0000 C   0  0
   -3.8928   -3.7565    0.0000 C   0  0
   -3.8918   -5.2565    0.0000 C   0  0
   -5.1904   -6.0073    0.0000 I   0  0
   -2.5923   -6.0056    0.0000 C   0  0
   -1.2937   -5.2548    0.0000 C   0  0
    0.0058   -6.0039    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
 17 10  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13581

> <plate>
PLATE 001

> <well>
B11

> <supplier_cmpd_name>
PD0325901

> <ctcr_id>
2413

> <supplier_cmpd_id>
T6189

> <smiles>
OCC(O)CONC(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2F

> <pd_targets>
{MAP2K2,MAP2K1,BRAF,MAPK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","STE protein kinase group","TKL protein kinase group","CMGC protein kinase group","STE protein kinase STE7 family","TKL protein kinase RAF family","CMGC protein kinase 
MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",
"STE7 family","TKL: Tyrosine kinase-like","Mitogen-activated protein kinases (MAP kinases)","RAF family","ERK subfamily"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Signaling by Receptor Tyrosine Kinases","Innate Immune System","Signaling by NTRKs","Toll-like Receptor Cascades","Signaling by NTRK1 (TRKA)","Toll Like Recepto
r 5 (TLR5) Cascade","Signalling to ERKs","MyD88 cascade initiated on plasma membrane","Prolonged ERK activation events","MAP kinase activation","Frs2-mediated activation","ARMS-mediated activation","M
APK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{MAP2K1}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{"N-(2,3-dihydroxypropoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide","N(2,3dihydroxypropoxy)3,4difluoro2(2fluoro4iodoanilino)benzamide",391209-97-5,391209975,SCHEMBL453656,CHEMBL450775,CHEBI:9
4389,HMS3244G07,HMS3244G08,HMS3244H07,HMS3295C05,HMS3654C09,BCP01841,MFCD09909925,AKOS015896067,ES-0007,ES0007,NCGC00189075-02,NCGC0018907502,AC-,AC,S1036,PD0325901}

> <pdid>
PD006105

> <targets>
{MEK}

> <classes>
{}

> <pubchem_cids>
{10206158}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 62 66  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -2.5998    3.0004    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   11.5957   -1.5000    0.0000 C   0  0
   10.2966   -0.7500    0.0000 C   0  0
   10.2966    0.7500    0.0000 C   0  0
    8.9976    1.5000    0.0000 C   0  0
    7.6985    0.7500    0.0000 C   0  0
    7.6985   -0.7500    0.0000 C   0  0
    8.9976   -1.5000    0.0000 C   0  0
    6.3988    1.5004    0.0000 S   0  0
    5.1000    0.7500    0.0000 O   0  0
    6.3978    3.0004    0.0000 O   0  0
    5.0994    2.2498    0.0000 O   0  0
   38.9032    2.6332    0.0000 C   0  0
   38.2885    1.2649    0.0000 S   0  0
   39.1665    0.0487    0.0000 O   0  0
   39.7808    1.4169    0.0000 O   0  0
   36.7953    1.1135    0.0000 C   0  0
   35.9168    2.3304    0.0000 C   0  0
   34.4237    2.1789    0.0000 N   0  0
   33.5452    3.3958    0.0000 C   0  0
   32.0546    3.2447    0.0000 C   0  0
   31.0526    4.3610    0.0000 O   0  0
   29.7002    3.7421    0.0000 C   0  0
   29.8358    2.2610    0.0000 C   0  0
   31.3025    1.9468    0.0000 C   0  0
   28.4006    4.4925    0.0000 C   0  0
   28.4005    5.9925    0.0000 C   0  0
   27.1015    6.7425    0.0000 C   0  0
   25.8025    5.9924    0.0000 C   0  0
   24.5034    6.7424    0.0000 N   0  0
   23.2044    5.9924    0.0000 C   0  0
   23.2044    4.4924    0.0000 N   0  0
   24.5034    3.7424    0.0000 C   0  0
   24.5004    2.2416    0.0000 N   0  0
   23.1995    1.4930    0.0000 C   0  0
   23.1943   -0.0070    0.0000 C   0  0
   21.8927   -0.7525    0.0000 C   0  0
   20.5962    0.0020    0.0000 C   0  0
   19.2954   -0.7466    0.0000 O   0  0
   19.2924   -2.2474    0.0000 C   0  0
   17.9916   -2.9960    0.0000 C   0  0
   17.9863   -4.4961    0.0000 C   0  0
   16.6847   -5.2416    0.0000 C   0  0
   15.3883   -4.4871    0.0000 C   0  0
   15.3934   -2.9872    0.0000 C   0  0
   14.0970   -2.2327    0.0000 F   0  0
   16.6950   -2.2416    0.0000 C   0  0
   20.6014    1.5020    0.0000 C   0  0
   19.3050    2.2565    0.0000 Cl  0  0
   21.9030    2.2475    0.0000 C   0  0
   25.8025    4.4924    0.0000 C   0  0
   27.1015    3.7424    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  8 10  2  0
  8 11  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 19 21  2  0
 19 22  2  0
 23 24  1  0
 24 25  2  0
 24 26  2  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 31  2  0
 33 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  1  0
 55 57  2  0
 57 51  1  0
 48 58  1  0
 58 59  1  0
 58 60  2  0
 60 45  1  0
 43 61  1  0
 61 39  1  0
 61 62  2  0
 62 36  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13582

> <plate>
PLATE 001

> <well>
C2

> <supplier_cmpd_name>
Lapatinib Ditosylate

> <ctcr_id>
2541

> <supplier_cmpd_id>
T6235

> <smiles>
Cc1ccc(cc1)[S](O)(=O)=O.Cc2ccc(cc2)[S](O)(=O)=O.C[S](=O)(=O)CCNCc3oc(cc3)c4ccc5ncnc(Nc6ccc(OCc7cccc(F)c7)c(Cl)c6)c5c4

> <pd_targets>
{AURKB,RET,ERBB2,EGFR,ABL1,ABCB11,PDGFRB,ERBB3,KCNH2,CYP3A5,CDK2,INSR,PIK3C2B,TUBA1A,SLK,KMT2A,MEN1,PI4KB,MAP2K5,STK10,MAP2K7,RIPK2,CYP3A4,PIK3C2G,ERBB4}

> <pathway_gtopdb>
{Enzyme,Transporter,"Ion channel","Structural protein","Epigenetic regulator",Kinase,"Primary active transporter","Voltage-gated ion channel","Cytochrome P450",Transferase,Reader,"Protein Kinase","ATP
-binding cassette","Potassium channels","Cytochrome P450 family 3",Bromodomain,"Other protein kinase group","TK protein kinase group","ABCB subfamily","Voltage-gated potassium channel","Cytochrome P45
0 family 3A","CMGC protein kinase group","STE protein kinase group","TKL protein kinase group","Other protein kinase AUR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase EGFR fami
ly","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR family","Cytochrome P450 3A5","CMGC protein kinase CDK family","Tyrosine protein kinase InsR family","STE protein kinase STE20 f
amily","STE protein kinase STE7 family","TKL protein kinase RIPK family","Cytochrome P450 3A4","CMGC protein kinase CDC2 subfamily","STE protein kinase SLK subfamily"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels",Enzymes,"Other protein targets","Catalytic receptors","ATP-binding cassette transporter family","Voltage-gated ion channels","Cytochrome P450","Kinases (EC 2.7.x
.x)",Tubulins,"Receptor kinases","ABCB subfamily","Potassium channels","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid modifying kinases","STE: Homologs of yeast Sterile 7","Steri
le 11","Sterile 20 kinases","Other protein kinases","TK: Tyrosine kinase","Voltage-gated potassium channels","Cyclin-dependent kinase (CDK) family","Phosphatidylinositol-4-phosphate 3-kinase family","
STE20 family","1-phosphatidylinositol 4-kinase family","STE7 family","TKL: Tyrosine kinase-like","Aurora kinase (Aur) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)"
,"CDK1 subfamily","SLK subfamily","Receptor interacting protein kinase (RIPK) family","Type XIV RTKs: RET","Type I RTKs: ErbB (epidermal growth factor) receptor family","Abl family","Type III RTKs: PD
GFR",CSFR,Kit,"FLT3 receptor family","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Cell Cycle","Developmental Biology","Signal Transduction",Disease,Metabolism,"Muscle contraction","Gene expression (Transcription)","Immune System","Neuronal System",Mitotic,"Nervous system developm
ent","Signaling by GPCR","Infectious disease","Metabolism of lipids","Intracellular signaling by second messengers","Cardiac conduction","Biological oxidations","RNA Polymerase II Transcription","Sign
aling by Receptor Tyrosine Kinases","Innate Immune System","Transmission across Chemical Synapses","M Phase","Axon guidance","GPCR downstream signalling","Leishmania infection","Metabolism of steroids
","PIP3 activates AKT signaling","Phase 3 - rapid repolarisation","Phase I - Functionalization of compounds","Generic Transcription Pathway","Phospholipid metabolism","Mitotic G2-G2/M phases","Signali
ng by NTRKs","Neutrophil degranulation","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Mit
otic Metaphase and Anaphase","RET signaling","Semaphorin interactions","G alpha (q) signalling events","Parasite infection","Bile acid and bile salt metabolism","Negative regulation of the PI3K/AKT ne
twork","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by TP53","PI Metabolism","G2/M Transition","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","Biosynth
esis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Mitotic Anaphase","Sema4D in semaphorin signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Leishmania phag
ocytosis","Synthesis of bile acids and bile salts",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling",Xenobiotics,"Regulation of TP53 Activity","Synthesis of PIPs at the plasma membrane","Centrosome mat
uration","Synthesis of PIPs at the Golgi membrane","Signalling to ERK5","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Post NMDA receptor activation events","Separation of Si
ster Chromatids","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by Gastrin","FCGR3A-mediated phagocytosis","Synthesis of bile acids and bile salts via 7alpha-hydroxycho
lesterol","Regulation of TP53 Expression and Degradation","Loss of proteins required for interphase microtubule organization from the centrosome","MAP kinase activation","Biosynthesis of maresin-like 
SPMs","Long-term potentiation","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","activated
 TAK1 mediates p38 MAPK activation"}

> <broad_targets>
{EGFR,ERBB2}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{"Lapatinib Ditosylate",388082-77-7,388082777,Tykerb,Tyverb,"Lapatinib (GW-572016) Ditosylate","Lapatinib (GW572016) Ditosylate","Lapatinib (ditosylate)",388082-78-8,388082788,UNII-4WK72K94MC,UNII4WK7
2K94MC,4WK72K94MC,"388082-77-7 (ditosylate)","388082777 (ditosylate)","Lapatinib Ditosylate (Tykerb, Tyverb, GW-572016)","Lapatinib Ditosylate (Tykerb, Tyverb, GW572016)",Tyker,T6235,T0078L,S1028,"Lap
atinib ditosylate monohydrate",lapatinib}

> <pdid>
PD003505

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

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{9941095}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 17 20  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.1471   -2.9705    0.0000 N   0  0
   -4.6471   -2.9705    0.0000 N   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
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  7  1  0
 15 10  1  0
 14 16  1  0
 16  4  1  0
 16 17  2  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13583

> <plate>
PLATE 001

> <well>
C3

> <supplier_cmpd_name>
Pyrazolanthrone

> <ctcr_id>
11925

> <supplier_cmpd_id>
T3109

> <smiles>
c1ccc2c(c1)c1n[nH]c3cccc(c13)c2=O

> <pd_targets>
{MAPK10,MAPK9,MAPK8,EIF2AK2,TTK,JAK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","Other protein kinase group","TK protein kinase group","CMGC protein kinase MAPK family","Other protein kinase PEK family","Other protein ki
nase TTK family","Tyrosine protein kinase JakA family","CMGC protein kinase JNK subfamily","Other protein kinase PKR"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","Mitogen-activated protein kinases (MAP kinases)","Other protein kina
ses","TK: Tyrosine kinase","JNK subfamily","PEK family","TTK family","Non-receptor tyrosine kinases (nRTKs)","Other PEK family kinases","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Immune System",Disease,"Innate Immune System","Infectious disease","Cytokine Signaling in Immune system","Toll-like Receptor Cascades","Influenza Infection","Signaling by Interleukins","Toll Like Re
ceptor 5 (TLR5) Cascade","NS1 Mediated Effects on Host Pathways","Interleukin-2 family signaling","MyD88 cascade initiated on plasma membrane","Inhibition of PKR","Interleukin-15 signaling","MAP kinas
e activation","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <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,g)indazol-6-on,g)indazol6on,T3109}

> <pdid>
PD002737

> <targets>
{JNK,"Aurora A",JNK1,JNK2,JNK3,TrkA}

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

> <pubchem_cids>
{8515}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 44 50  0  0  1  0            999 V2000
    7.4628   -1.5070    0.0000 O   0  0
    8.3466   -2.7190    0.0000 C   0  0
    7.7381   -4.0910    0.0000 C   0  0
    6.2484   -4.2507    0.0000 N   0  0
    5.4984   -5.5497    0.0000 C   0  0
    4.0312   -5.2378    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0  2  0  0  0
    5.2447   -3.1359    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1884   -2.6409    0.0000 C   0  0
   -4.6234   -3.0602    0.0000 C   0  0
   -4.9781   -4.5176    0.0000 C   0  0
   -3.8933   -5.5536    0.0000 N   0  0
   -2.4537   -5.1320    0.0000 C   0  0
   -2.0990   -3.6745    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    9.8389   -2.5590    0.0000 N   0  0
   10.4490   -1.1887    0.0000 C   0  0
   11.9408   -1.0319    0.0000 C   0  0
   12.8225   -2.2454    0.0000 N   0  0
   12.2125   -3.6157    0.0000 C   0  0
   10.7207   -3.7726    0.0000 C   0  0
   14.3151   -2.0884    0.0000 C   0  0
   14.9274   -0.7190    0.0000 C   0  0
   16.4194   -0.5646    0.0000 C   0  0
   17.2992   -1.7795    0.0000 C   0  0
   16.6870   -3.1488    0.0000 C   0  0
   15.1950   -3.3033    0.0000 C   0  0
   18.7920   -1.6249    0.0000 C   0  0
   19.4065   -0.2565    0.0000 N   0  0
   20.8988   -0.1044    0.0000 C   0  0
   21.7766   -1.3207    0.0000 C   0  0
   21.1622   -2.6891    0.0000 C   0  0
   19.6700   -2.8412    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  4  1  0
  7  9  1  1
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 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
 18 25  1  0
 25 15  1  0
 25 26  2  0
 26 12  1  0
  2 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 27  1  0
 30 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 33  1  0
 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>
TargetMol_L1400_MAPK inhibitor library

> <id>
13584

> <plate>
PLATE 001

> <well>
C4

> <supplier_cmpd_name>
SCH772984

> <ctcr_id>
7655

> <supplier_cmpd_id>
T6066

> <smiles>
O=C(CN1CC[C@H](C1)C(=O)Nc2ccc3[nH]nc(c4ccncc4)c3c2)N5CCN(CC5)c6ccc(cc6)c7ncccn7

> <pd_targets>
{MAPK1,MAPK3,MAP2K1,MAP2K2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","STE protein kinase group","CMGC protein kinase MAPK family","STE protein kinase STE7 family","CMGC protein kinase ERK1"}

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

> <pathway_reactome>
{"Immune System","Innate Immune System","Toll-like Receptor Cascades","Toll Like Receptor 5 (TLR5) Cascade","MyD88 cascade initiated on plasma membrane","MAP kinase activation","MAPK targets/ Nuclear 
events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SCH772984,942183-80-4,942183804,SCH-772984,CHEMBL3590107,"SCH 772984",38Z,GTPL8056,SCHEMBL12151489,AOB6425,EX-A296,EXA296,CHEBI:167670,C33H33N9O2,2711AH,BDBM50094464,MFCD11878503,NSC775636,s7101,ZINC
96174209,AKOS025402018,ACN-034807,ACN034807,CS-1421,CS1421,NSC-775636,SB19428,S,T6066,S7101}

> <pdid>
PD003258

> <targets>
{ERK}

> <classes>
{}

> <pubchem_cids>
{24866313}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  5
    2.5973   -1.5031    0.0000 N   0  3
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 N   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.8193    4.6606    0.0000 C   0  0
   -4.0353    5.9336    0.0000 C   0  0
   -4.7489    7.2530    0.0000 C   0  0
   -6.2483    7.2947    0.0000 N   0  0
   -7.0341    6.0170    0.0000 C   0  0
   -6.3205    4.6976    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 N   0  0
   -6.4469    1.8311    0.0000 C   0  0
   -7.4153    2.9701    0.0000 C   0  0
   -8.8906    2.6991    0.0000 C   0  0
   -9.3937    1.2860    0.0000 C   0  0
  -10.8690    1.0150    0.0000 F   0  0
   -8.4213    0.1438    0.0000 C   0  0
   -6.9460    0.4147    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 12 19  2  0
 19 20  1  0
 20 10  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 21  1  0
M  CHG  2   1  -1   2   1
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13585

> <plate>
PLATE 001

> <well>
C5

> <supplier_cmpd_name>
PD 169316

> <ctcr_id>
1408

> <supplier_cmpd_id>
T2432

> <smiles>
[O-][N+](=O)c1ccc(cc1)c2[nH]c(c3ccncc3)c(n2)c4ccc(F)cc4

> <pd_targets>
{GMNN,RECQL,MAPT,THRB,THPO,NFKB1,PMP22,BLM,CHRM1,ALOX5,LMNA,NS1,MAPK1,KMT2A,MEN1,CYP3A4,ALDH1A1,NPSR1,TYR,MTOR}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Other cytosolic protein","Transcription factor","Membrane receptor","Other nuclear protein","Epigenetic regulator",Protease,"Nuclear receptor","Family A G protein-coupl
ed receptor",Oxidoreductase,Kinase,Reader,"Cytochrome P450","Cysteine protease","Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","Protein Kinase",Bromodomain,"Cytochrom
e P450 family 3","Peptide receptor (family A GPCR)","Cysteine protease CA clan","Nuclear hormone receptor subfamily 1 group A","Monoamine receptor","CMGC protein kinase group","Cytochrome P450 family 
3A","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Cysteine protease C1A family","Nuclear hormone receptor subfamily 1 group A member 2","Acetylcholine receptor","CMGC prote
in kinase MAPK family","Cytochrome P450 3A4","Neuropeptide receptor","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","G protein-coupled receptors","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Cytochrome P450","1.-.-.- Oxidoreductases","1A. Thyroid hormone receptors","A
cetylcholine receptors (muscarinic)",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","Neuropeptide S receptor",Atypical,"Mitogen-activated protein kinases (MAP kinases)","P
hosphatidyl inositol 3' kinase-related kinases (PIKK) family","ERK subfamily","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle","Neuronal System","Metabolism of proteins",Hemostasis,"Immune System","Developmental Biology","DNA Repair","Signal Transduction",Metabolism,Disease,"Gene expression (Transcription)",Mito
tic,"Transmission across Chemical Synapses","Post-translational protein modification","Platelet activation","signaling and aggregation","Cytokine Signaling in Immune system","Nervous system developmen
t","DNA Double-Strand Break Repair","Signaling by GPCR","Metabolism of lipids","Innate Immune System","Biological oxidations","Infectious disease","Metabolism of amino acids and derivatives","RNA Poly
merase II Transcription","Mitotic G1 phase and G1/S transition","Neurotransmitter receptors and postsynaptic signal transmission",SUMOylation,"Platelet Aggregation (Plug Formation)","Signaling by Inte
rleukins","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Homology Directed Repair","GPCR ligand binding","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Toll-
like Receptor Cascades","Phase I - Functionalization of compounds","Leishmania infection","Melanin biosynthesis","Generic Transcription Pathway","G1/S Transition","Activation of NMDA receptors and pos
tsynaptic events","SUMO E3 ligases SUMOylate target proteins","Interleukin-1 family signaling","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Class A/1 (Rhodopsin-like 
receptors)","Biosynthesis of DPA-derived SPMs","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Ethanol oxidation","Leishmania parasite growth
 and survival","Transcriptional Regulation by TP53","Activation of the pre-replicative complex","Post NMDA receptor activation events","SUMOylation of intracellular receptors","Interleukin-1 signaling
","HDR through Homologous Recombination (HRR)","Amine ligand-binding receptors","Biosynthesis of DPAn-3 SPMs","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins"
,"Anti-inflammatory response favouring Leishmania parasite infection","Regulation of TP53 Activity","Activation of AMPK downstream of NMDARs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Homologous D
NA Pairing and Strand Exchange","Muscarinic acetylcholine receptors","Biosynthesis of DPAn-3-derived 13-series resolvins","Nuclear Envelope (NE) Reassembly","MAP kinase activation","Biosynthesis of ma
resin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation
 of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"PD 169316",152121-53-4,152121534,"152121 53 4",PD-169316,PD169316,4-(4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl)pyridine,4(4(4fluorophenyl)2(4nitrophenyl)1Himidazol5yl)pyridine,"4 (4 (4 f
luorophenyl) 2 (4 nitrophenyl) 1H imidazol 5",T2432,"EMD 513030",513030}

> <pdid>
PD002750

> <targets>
{"P38 MAPK"}

> <classes>
{}

> <pubchem_cids>
{4712}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 62 66  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -2.5998    3.0004    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   11.5957   -1.5000    0.0000 C   0  0
   10.2966   -0.7500    0.0000 C   0  0
   10.2966    0.7500    0.0000 C   0  0
    8.9976    1.5000    0.0000 C   0  0
    7.6985    0.7500    0.0000 C   0  0
    7.6985   -0.7500    0.0000 C   0  0
    8.9976   -1.5000    0.0000 C   0  0
    6.3988    1.5004    0.0000 S   0  0
    5.1000    0.7500    0.0000 O   0  0
    6.3978    3.0004    0.0000 O   0  0
    5.0994    2.2498    0.0000 O   0  0
   38.9032    2.6332    0.0000 C   0  0
   38.2885    1.2649    0.0000 S   0  0
   39.1665    0.0487    0.0000 O   0  0
   39.7808    1.4169    0.0000 O   0  0
   36.7953    1.1135    0.0000 C   0  0
   35.9168    2.3304    0.0000 C   0  0
   34.4237    2.1789    0.0000 N   0  0
   33.5452    3.3958    0.0000 C   0  0
   32.0546    3.2447    0.0000 C   0  0
   31.0526    4.3610    0.0000 O   0  0
   29.7002    3.7421    0.0000 C   0  0
   29.8358    2.2610    0.0000 C   0  0
   31.3025    1.9468    0.0000 C   0  0
   28.4006    4.4925    0.0000 C   0  0
   28.4005    5.9925    0.0000 C   0  0
   27.1015    6.7425    0.0000 C   0  0
   25.8025    5.9924    0.0000 C   0  0
   24.5034    6.7424    0.0000 N   0  0
   23.2044    5.9924    0.0000 C   0  0
   23.2044    4.4924    0.0000 N   0  0
   24.5034    3.7424    0.0000 C   0  0
   24.5004    2.2416    0.0000 N   0  0
   23.1995    1.4930    0.0000 C   0  0
   23.1943   -0.0070    0.0000 C   0  0
   21.8927   -0.7525    0.0000 C   0  0
   20.5962    0.0020    0.0000 C   0  0
   19.2954   -0.7466    0.0000 O   0  0
   19.2924   -2.2474    0.0000 C   0  0
   17.9916   -2.9960    0.0000 C   0  0
   17.9863   -4.4961    0.0000 C   0  0
   16.6847   -5.2416    0.0000 C   0  0
   15.3883   -4.4871    0.0000 C   0  0
   15.3934   -2.9872    0.0000 C   0  0
   14.0970   -2.2327    0.0000 F   0  0
   16.6950   -2.2416    0.0000 C   0  0
   20.6014    1.5020    0.0000 C   0  0
   19.3050    2.2565    0.0000 Cl  0  0
   21.9030    2.2475    0.0000 C   0  0
   25.8025    4.4924    0.0000 C   0  0
   27.1015    3.7424    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  8 10  2  0
  8 11  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 19 21  2  0
 19 22  2  0
 23 24  1  0
 24 25  2  0
 24 26  2  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 31  2  0
 33 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  2  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 52  2  0
 52 53  1  0
 53 54  2  0
 54 55  1  0
 55 56  1  0
 55 57  2  0
 57 51  1  0
 48 58  1  0
 58 59  1  0
 58 60  2  0
 60 45  1  0
 43 61  1  0
 61 39  1  0
 61 62  2  0
 62 36  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13586

> <plate>
PLATE 001

> <well>
C6

> <supplier_cmpd_name>
Lapatinib

> <ctcr_id>
2541

> <supplier_cmpd_id>
T0078

> <smiles>
Cc1ccc(cc1)[S](O)(=O)=O.Cc2ccc(cc2)[S](O)(=O)=O.C[S](=O)(=O)CCNCc3oc(cc3)c4ccc5ncnc(Nc6ccc(OCc7cccc(F)c7)c(Cl)c6)c5c4

> <pd_targets>
{AURKB,RET,ERBB2,EGFR,ABL1,ABCB11,PDGFRB,ERBB3,KCNH2,CYP3A5,CDK2,INSR,PIK3C2B,TUBA1A,SLK,KMT2A,MEN1,PI4KB,MAP2K5,STK10,MAP2K7,RIPK2,CYP3A4,PIK3C2G,ERBB4}

> <pathway_gtopdb>
{Enzyme,Transporter,"Ion channel","Structural protein","Epigenetic regulator",Kinase,"Primary active transporter","Voltage-gated ion channel","Cytochrome P450",Transferase,Reader,"Protein Kinase","ATP
-binding cassette","Potassium channels","Cytochrome P450 family 3",Bromodomain,"Other protein kinase group","TK protein kinase group","ABCB subfamily","Voltage-gated potassium channel","Cytochrome P45
0 family 3A","CMGC protein kinase group","STE protein kinase group","TKL protein kinase group","Other protein kinase AUR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase EGFR fami
ly","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR family","Cytochrome P450 3A5","CMGC protein kinase CDK family","Tyrosine protein kinase InsR family","STE protein kinase STE20 f
amily","STE protein kinase STE7 family","TKL protein kinase RIPK family","Cytochrome P450 3A4","CMGC protein kinase CDC2 subfamily","STE protein kinase SLK subfamily"}

> <pathway_chembl>
{Receptors,Transporters,"Ion channels",Enzymes,"Other protein targets","Catalytic receptors","ATP-binding cassette transporter family","Voltage-gated ion channels","Cytochrome P450","Kinases (EC 2.7.x
.x)",Tubulins,"Receptor kinases","ABCB subfamily","Potassium channels","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid modifying kinases","STE: Homologs of yeast Sterile 7","Steri
le 11","Sterile 20 kinases","Other protein kinases","TK: Tyrosine kinase","Voltage-gated potassium channels","Cyclin-dependent kinase (CDK) family","Phosphatidylinositol-4-phosphate 3-kinase family","
STE20 family","1-phosphatidylinositol 4-kinase family","STE7 family","TKL: Tyrosine kinase-like","Aurora kinase (Aur) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)"
,"CDK1 subfamily","SLK subfamily","Receptor interacting protein kinase (RIPK) family","Type XIV RTKs: RET","Type I RTKs: ErbB (epidermal growth factor) receptor family","Abl family","Type III RTKs: PD
GFR",CSFR,Kit,"FLT3 receptor family","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Cell Cycle","Developmental Biology","Signal Transduction",Disease,Metabolism,"Muscle contraction","Gene expression (Transcription)","Immune System","Neuronal System",Mitotic,"Nervous system developm
ent","Signaling by GPCR","Infectious disease","Metabolism of lipids","Intracellular signaling by second messengers","Cardiac conduction","Biological oxidations","RNA Polymerase II Transcription","Sign
aling by Receptor Tyrosine Kinases","Innate Immune System","Transmission across Chemical Synapses","M Phase","Axon guidance","GPCR downstream signalling","Leishmania infection","Metabolism of steroids
","PIP3 activates AKT signaling","Phase 3 - rapid repolarisation","Phase I - Functionalization of compounds","Generic Transcription Pathway","Phospholipid metabolism","Mitotic G2-G2/M phases","Signali
ng by NTRKs","Neutrophil degranulation","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Mit
otic Metaphase and Anaphase","RET signaling","Semaphorin interactions","G alpha (q) signalling events","Parasite infection","Bile acid and bile salt metabolism","Negative regulation of the PI3K/AKT ne
twork","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by TP53","PI Metabolism","G2/M Transition","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","Biosynth
esis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Mitotic Anaphase","Sema4D in semaphorin signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Leishmania phag
ocytosis","Synthesis of bile acids and bile salts",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling",Xenobiotics,"Regulation of TP53 Activity","Synthesis of PIPs at the plasma membrane","Centrosome mat
uration","Synthesis of PIPs at the Golgi membrane","Signalling to ERK5","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Post NMDA receptor activation events","Separation of Si
ster Chromatids","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by Gastrin","FCGR3A-mediated phagocytosis","Synthesis of bile acids and bile salts via 7alpha-hydroxycho
lesterol","Regulation of TP53 Expression and Degradation","Loss of proteins required for interphase microtubule organization from the centrosome","MAP kinase activation","Biosynthesis of maresin-like 
SPMs","Long-term potentiation","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","activated
 TAK1 mediates p38 MAPK activation"}

> <broad_targets>
{EGFR,ERBB2}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{"Lapatinib Ditosylate",388082-77-7,388082777,Tykerb,Tyverb,"Lapatinib (GW-572016) Ditosylate","Lapatinib (GW572016) Ditosylate","Lapatinib (ditosylate)",388082-78-8,388082788,UNII-4WK72K94MC,UNII4WK7
2K94MC,4WK72K94MC,"388082-77-7 (ditosylate)","388082777 (ditosylate)","Lapatinib Ditosylate (Tykerb, Tyverb, GW-572016)","Lapatinib Ditosylate (Tykerb, Tyverb, GW572016)",Tyker,T6235,T0078L,S1028,"Lap
atinib ditosylate monohydrate",lapatinib}

> <pdid>
PD003505

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

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{9941095}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -5.2112    5.9836    0.0000 N   0  0
   -6.5072    5.2269    0.0000 C   0  0
   -6.4994    3.7269    0.0000 O   0  0
   -7.8111    5.9701    0.0000 N   0  0
   -9.1072    5.2134    0.0000 C   0  0
  -10.4114    5.9543    0.0000 C   0  0
  -11.7053    5.1953    0.0000 C   0  0
  -11.6949    3.6953    0.0000 C   0  0
  -12.9887    2.9364    0.0000 Cl  0  0
  -10.3907    2.9543    0.0000 C   0  0
   -9.0969    3.7133    0.0000 C   0  0
  -10.3803    1.4536    0.0000 C   0  0
  -11.6736    0.6938    0.0000 F   0  0
   -9.0759    0.7130    0.0000 F   0  0
  -10.3692   -0.0464    0.0000 F   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 12 28  1  0
 28 29  2  0
 29  9  1  0
  7 30  2  0
 30 31  1  0
 31 32  2  0
 32  5  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13587

> <plate>
PLATE 001

> <well>
C7

> <supplier_cmpd_name>
Sorafenib tosylate

> <ctcr_id>
6031

> <supplier_cmpd_id>
T0093

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

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

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

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

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

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

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

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

> <pdid>
PD003493

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

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

> <pubchem_cids>
{216239}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
   10.4512   -8.1716    0.0000 C   0  0
    8.9847   -7.8565    0.0000 N   0  0
    7.9789   -8.9693    0.0000 C   0  0
    8.5232   -6.4284    0.0000 C   0  0
    7.0558   -6.1131    0.0000 C   0  0
    6.5925   -4.6864    0.0000 C   0  0
    5.1253   -4.3743    0.0000 C   0  0
    4.1215   -5.4889    0.0000 C   0  0
    4.5848   -6.9156    0.0000 C   0  0
    6.0520   -7.2277    0.0000 C   0  0
    4.6589   -2.9478    0.0000 N   0  0
    3.1905   -2.6376    0.0000 C   0  0
    2.7248   -1.2135    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8983    0.7459    0.0000 O   0  0
   -2.6030    2.9977    0.0000 N   0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    5.1065    0.0000    0.0000 O   0  0
    2.1880   -3.7544    0.0000 C   0  0
    0.7198   -3.4469    0.0000 C   0  0
   -0.2806   -4.5646    0.0000 C   0  0
    0.1871   -5.9898    0.0000 C   0  0
    1.6552   -6.2974    0.0000 C   0  0
    2.6556   -5.1797    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  7 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  2  0
 20 22  1  0
 15 23  1  0
 23 24  1  0
 24 13  1  0
 24 25  2  0
 12 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13588

> <plate>
PLATE 001

> <well>
C8

> <supplier_cmpd_name>
BIX02188

> <ctcr_id>
11424

> <supplier_cmpd_id>
T6324

> <smiles>
CN(C)Cc1cc(ccc1)N/C(=C\1/c2c(cc(cc2)C(=O)N)NC1=O)/c1ccccc1

> <pd_targets>
{MAP2K5,MAPK7}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","STE protein kinase group","CMGC protein kinase group","STE protein kinase STE7 family","CMGC protein kinase MAPK family","CMGC protein kinase ERK5"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE7 family","Mitogen-activated protein kinases (M
AP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Signaling by Receptor Tyrosine Kinases","Innate Immune System","Signaling by NTRKs","Toll-like Receptor Cascades","Signaling by NTRK1 (TRKA)","Toll Like Recepto
r 5 (TLR5) Cascade","Signalling to ERK5","MyD88 cascade initiated on plasma membrane","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inacti
vated"}

> <broad_targets>
{MAP2K5}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{BIX02188,1094614-84-2,1094614842,BIX-02188,"BIX 02188",334949-59-6,334949596,UNII-4Y3VYY2X83,UNII4Y3VYY2X83,4Y3VYY2X83,PubChem19142,GTPL8064,CHEMBL4303171,SCHEMBL16685264,SCHEMBL16685266,SCHEMBL16685
268,SCHEMBL21143306,EX-A221,EXA221,HMS3674E11,BCP11305,"BIX-02188(Random Configuration)","BIX02188(Random Configuration)",A,T6324}

> <pdid>
PD003248

> <targets>
{ERK5,MEK1,MEK2,MEK5,TGF¦ÂR1,ERK,MEK}

> <classes>
{MAPK,Stem Cells,MAPK/ERK Pathway,Stem Cell/Wnt}

> <pubchem_cids>
{135398492}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8934   -5.2570    0.0000 C   0  0
   -5.1924   -6.0071    0.0000 C   0  0
   -6.4914   -5.2571    0.0000 C   0  0
   -7.7905   -6.0071    0.0000 C   0  0
   -6.4915   -3.7571    0.0000 C   0  0
   -7.7897   -3.0041    0.0000 N   0  0
   -7.7876   -1.5032    0.0000 C   0  0
   -6.4873   -0.7555    0.0000 O   0  0
   -9.0858   -0.7502    0.0000 C   0  0
   -9.0859    0.7498    0.0000 C   0  0
  -10.3850    1.4998    0.0000 C   0  0
  -11.6840    0.7498    0.0000 C   0  0
  -12.9831    1.4998    0.0000 O   0  0
  -11.6840   -0.7502    0.0000 C   0  0
  -10.3850   -1.5002    0.0000 C   0  0
   -5.1925   -3.0071    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  8 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 22  1  0
 18 29  2  0
 29 13  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13589

> <plate>
PLATE 001

> <well>
C9

> <supplier_cmpd_name>
ZM 336372

> <ctcr_id>
6033

> <supplier_cmpd_id>
T1851

> <smiles>
CN(C)c1cccc(c1)C(=O)Nc2ccc(C)c(NC(=O)c3ccc(O)cc3)c2

> <pd_targets>
{ALOX15,KDM4E,MAPT,IMPA1,CYP3A4,MAPK14,RAF1,RORC,ALDH1A1,LEF,TP53,BRAF,LCK,HSD17B10,CYP1A2,MAPK11,HPGD}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein","Transcription factor",Oxidoreductase,Eraser,Hydrolase,"Cytochrome P450",Kinase,"Nuclear receptor",Protease,"Lysine demethylase","Cytochrome P4
50 family 3","Protein Kinase","Nuclear hormone receptor subfamily 1","Metallo protease","Cytochrome P450 family 1","Jumonji domain-containing","Cytochrome P450 family 3A","CMGC protein kinase group","
TKL protein kinase group","Nuclear hormone receptor subfamily 1 group F","Metallo protease MAE clan","TK protein kinase group","Cytochrome P450 family 1A","Cytochrome P450 3A4","CMGC protein kinase MA
PK family","TKL protein kinase RAF family","Nuclear hormone receptor subfamily 1 group F member 3","Metallo protease M34 family","Tyrosine protein kinase Src family","Cytochrome P450 1A1","CMGC protei
n kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Eicosanoid turnover","Chromatin modifying enzymes","Inositol phosphate turnover","Cytochrome P450","Kinases (EC 2.7.x.x)","Catalytic receptors","Nuclear hormone receptors",Lipoxyge
nases,"1.14.11.- Histone demethylases","Inositol monophosphatase","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","1F. Retinoic acid-related orphans","CYP1 family","Pr
ostaglandin synthases","Mitogen-activated protein kinases (MAP kinases)","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","p38 subfamily","RAF family","Non-receptor tyrosine kinases (nRTKs)","Src fam
ily"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Immune System","Signal Transduction","Gene expression (Transcription)",Disease,"Cell Cycle","Metabolism of lipids","Transmission across Chemical Synapses","Inositol phos
phate metabolism","Innate Immune System","MAPK family signaling cascades","RNA Polymerase II Transcription","Biological oxidations","Infectious disease","Cell Cycle Checkpoints","Signaling by Receptor
 Tyrosine Kinases","Metabolism of amino acids and derivatives","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and postsynaptic signal transmission","Synthesis 
of IP2",IP,"and Ins in the cytosol","Toll-like Receptor Cascades","MAPK1/MAPK3 signaling","Generic Transcription Pathway","Phase I - Functionalization of compounds","Uptake and actions of bacterial to
xins","G1/S DNA Damage Checkpoints","Signaling by NTRKs","HIV Infection","Branched-chain amino acid catabolism","Biosynthesis of DPA-derived SPMs","Activation of NMDA receptors and postsynaptic events
","Biosynthesis of DHA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","RAF/MAP kinase cascade","Transcriptional regulation by RUNX3","Ethanol oxidation","Uptake and function of anthrax toxins","p
53-Dependent G1/S DNA damage checkpoint","Signaling by NTRK1 (TRKA)","Host Interactions of HIV factors","Cytochrome P450 - arranged by substrate type","Biosynthesis of DPAn-3 SPMs","Post NMDA receptor
 activation events","Biosynthesis of maresins","MyD88 cascade initiated on plasma membrane","Negative regulation of MAPK pathway","RUNX3 Regulates Immune Response and Cell Migration","p53-Dependent G1
 DNA Damage Response","Signalling to ERKs","The role of Nef in HIV-1 replication and disease pathogenesis",Xenobiotics,"Biosynthesis of D-series resolvins","Biosynthesis of DPAn-3-derived protectins a
nd resolvins","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","MAP kinase activation","Negative feedback regulation of MAPK pathway","Stabilization of p53","Prolonged ERK
 activation events","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAPK targets/ N
uclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","ARMS-mediated activation","Nef Mediated CD4 Down-regulation","Activation of the AP-1 family of transcription f
actors"}

> <broad_targets>
{BRAF,LCK,MAPK14,RAF1}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{"ZM 336372",208260-29-1,208260291,ZM336372,ZM-336372,3-(dimethylamino)-N-(3-(4-hydroxybenzamido)-4-methylphenyl)benzamide,3(dimethylamino)N(3(4hydroxybenzamido)4methylphenyl)benzamide,N-(5-(3-Dimethy
laminobenzamido)-2-methylphenyl)-4-hydroxybenzamide,N(5(3Dimethylaminobenzamido)2methylphenyl)4hydroxybenzamide,CHEMBL186526,3-(dimethylamino)-N-(3-((4-hydroxybenzoyl)amino)-4-,3(dimethylamino)N(3((4h
ydroxybenzoyl)amino)4,T1851,1321,S2720,EI-298}

> <pdid>
PD010695

> <targets>
{Raf,cRAF}

> <classes>
{MAPK}

> <pubchem_cids>
{5730}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 38 42  0  0  0  0            999 V2000
   10.7421   -1.8376    0.0000 C   0  0
    9.2552   -2.0352    0.0000 N   0  0
    8.6832   -3.4219    0.0000 C   0  0
    8.3394   -0.8462    0.0000 C   0  0
    6.8516   -1.0438    0.0000 C   0  0
    5.9346    0.1432    0.0000 C   0  0
    4.4481   -0.0574    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    4.7956   -2.6321    0.0000 C   0  0
    6.2821   -2.4315    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -6.4994   -0.7589    0.0000 N   0  0
   -7.7969   -1.5132    0.0000 C   0  0
   -7.7919   -3.0132    0.0000 O   0  0
   -9.0994   -0.7676    0.0000 C   0  0
  -10.3973   -1.5196    0.0000 C   0  0
  -11.6975   -0.7717    0.0000 C   0  0
  -11.6999    0.7283    0.0000 C   0  0
  -10.4021    1.4804    0.0000 C   0  0
   -9.1018    0.7325    0.0000 C   0  0
  -12.9960   -1.5242    0.0000 C   0  0
  -12.9946   -3.0242    0.0000 F   0  0
  -14.2960   -0.7759    0.0000 F   0  0
  -14.2942   -2.2757    0.0000 F   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 12  1  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 16 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 28 32  1  0
 32 33  1  0
 32 34  1  0
 32 35  1  0
 22 36  2  0
 36 37  1  0
 37 38  2  0
 38 20  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13590

> <plate>
PLATE 001

> <well>
C10

> <supplier_cmpd_name>
B-Raf IN 1

> <ctcr_id>
11425

> <supplier_cmpd_id>
T1845

> <smiles>
CN(C)Cc1ccc(cc1)c1c2nccc(n2nc1)c1cc(NC(=O)c2cc(ccc2)C(F)(F)F)ccc1

> <pd_targets>
{MAPK14,RAF1,BRAF}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","TKL protein kinase group","CMGC protein kinase MAPK family","TKL protein kinase RAF family","CMGC protein kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","Mitogen-activated protein kinases (MAP kinases)","TKL: Tyrosine kina
se-like","p38 subfamily","RAF family"}

> <pathway_reactome>
{"Immune System","Signal Transduction","Innate Immune System","MAPK family signaling cascades","Signaling by Receptor Tyrosine Kinases","Toll-like Receptor Cascades","MAPK1/MAPK3 signaling","Signaling
 by NTRKs","Toll Like Receptor 5 (TLR5) Cascade","RAF/MAP kinase cascade","Signaling by NTRK1 (TRKA)","MyD88 cascade initiated on plasma membrane","Negative regulation of MAPK pathway","Signalling to 
ERKs","MAP kinase activation","Negative feedback regulation of MAPK pathway","Prolonged ERK activation events","MAPK targets/ Nuclear events mediated by MAP kinases","ARMS-mediated activation","Activa
tion of the AP-1 family of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"RAF IN","B-Raf IN 1","BRaf IN 1",950736-05-7,950736057,B-Raf-IN-1,BRafIN1,CHEMBL1087397,MDK36057,SCHEMBL4655705,C29H24F3N5O,AOB6013,BCP28151,EX-A2630,EXA2630,3507AH,BDBM50312057,MFCD25977055,ZINC446
69088,AKOS026750232,CS-3238,CS3238,NCGC00390594-01,NCGC0039059401,HY-18227,HY18227,S6538,Q27456815,"B-Raf-IN 1; B-Raf-IN1","BRafIN 1; BRafIN1",T1845}

> <pdid>
PD055857

> <targets>
{B-Raf,C-Raf}

> <classes>
{MAPK}

> <pubchem_cids>
{24884503}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 33 35  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -5.2081    5.9890    0.0000 N   0  0
   -5.2112    7.4898    0.0000 C   0  0
   -3.9134    8.2421    0.0000 O   0  0
   -6.5120    8.2384    0.0000 N   0  0
   -6.5150    9.7392    0.0000 C   0  0
   -7.8140   10.4893    0.0000 C   0  0
   -7.8140   11.9893    0.0000 C   0  0
   -6.5150   12.7393    0.0000 C   0  0
   -6.5150   14.2393    0.0000 Cl  0  0
   -5.2160   11.9893    0.0000 C   0  0
   -5.2160   10.4893    0.0000 C   0  0
   -3.9162   12.7397    0.0000 C   0  0
   -3.9153   14.2397    0.0000 F   0  0
   -2.6174   11.9893    0.0000 F   0  0
   -2.6168   13.4891    0.0000 F   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -5.1985    2.9859    0.0000 F   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 12 28  1  0
 28 29  1  0
 28 30  2  0
 30  9  1  0
  7 31  2  0
 31 32  1  0
 32 33  2  0
 33  5  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13591

> <plate>
PLATE 001

> <well>
C11

> <supplier_cmpd_name>
Regorafenib

> <ctcr_id>
4826

> <supplier_cmpd_id>
T1792

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

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

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

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

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

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

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

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

> <pdid>
PD003518

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

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

> <pubchem_cids>
{11167602}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    5.5505   -4.4276    0.0000 N   0  0
    4.0505   -4.4250    0.0000 C   0  0
    2.5497   -4.4224    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 S   0  0
    1.7974   -5.7210    0.0000 C   0  0
    2.5428   -7.0227    0.0000 N   0  0
    1.7883   -8.3192    0.0000 C   0  0
    2.5315   -9.6231    0.0000 O   0  0
    1.7747  -10.9191    0.0000 C   0  0
    2.5179  -12.2230    0.0000 C   0  0
    1.7634  -13.5195    0.0000 C   0  0
    2.5089  -14.8211    0.0000 C   0  0
    4.0089  -14.8264    0.0000 C   0  0
    4.7574  -16.1272    0.0000 C   0  0
    6.2582  -16.1303    0.0000 N   0  0
    7.0083  -17.4294    0.0000 C   0  0
    8.5083  -17.4295    0.0000 C   0  0
    9.2583  -16.1305    0.0000 O   0  0
    8.5084  -14.8314    0.0000 C   0  0
    7.0084  -14.8313    0.0000 C   0  0
    4.7634  -13.5300    0.0000 C   0  0
    4.0180  -12.2283    0.0000 C   0  0
    0.2883   -8.3139    0.0000 N   0  0
   -0.4572   -7.0123    0.0000 C   0  0
    0.2973   -5.7159    0.0000 C   0  0
  1  2  3  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12  4  1  0
  3 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 23  1  0
 21 29  1  0
 29 30  2  0
 30 18  1  0
 15 31  2  0
 31 32  1  0
 32 33  2  0
 33 13  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13592

> <plate>
PLATE 001

> <well>
D2

> <supplier_cmpd_name>
AS 602801

> <ctcr_id>
11897

> <supplier_cmpd_id>
T2675

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

> <pd_targets>
{MAPK10,MAPK8,MAPK9}

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

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

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

> <broad_targets>
{MAPK10,MAPK8,MAPK9}

> <broad_moa>
{"JNK inhibitor"}

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

> <pdid>
PD012731

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

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

> <pubchem_cids>
{10195250}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 38 41  0  0  0  0            999 V2000
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 N   0  0
    3.8869   -8.2595    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8934   -5.2570    0.0000 C   0  0
   -5.1924   -6.0071    0.0000 C   0  0
   -6.4914   -5.2571    0.0000 C   0  0
   -7.7896   -6.0102    0.0000 N   0  0
   -7.7875   -7.5111    0.0000 C   0  0
   -9.0839   -8.2657    0.0000 N   0  0
   -9.0786   -9.7657    0.0000 C   0  0
   -7.7770  -10.5111    0.0000 C   0  0
   -6.4806   -9.7566    0.0000 C   0  0
   -6.4858   -8.2566    0.0000 N   0  0
   -5.1783  -10.5025    0.0000 C   0  0
   -5.1706  -12.0025    0.0000 C   0  0
   -3.8677  -12.7459    0.0000 C   0  0
   -2.5725  -11.9893    0.0000 C   0  0
   -2.5801  -10.4893    0.0000 N   0  0
   -3.8830   -9.7459    0.0000 C   0  0
   -6.4915   -3.7571    0.0000 C   0  0
   -7.7905   -3.0071    0.0000 C   0  0
   -5.1925   -3.0071    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 14 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 22 36  1  0
 36 37  1  0
 36 38  2  0
 38 19  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13593

> <plate>
PLATE 001

> <well>
D3

> <supplier_cmpd_name>
JNK-IN-8

> <ctcr_id>
7596

> <supplier_cmpd_id>
T2668

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

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

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

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

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

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD003255

> <targets>
{JNK}

> <classes>
{}

> <pubchem_cids>
{57340686}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 30 32  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5973    1.5031    0.0000 N   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8912    5.2578    0.0000 O   0  0
   -5.1894    6.0109    0.0000 C   0  0
   -5.1895    7.5109    0.0000 C   0  0
   -6.4885    8.2609    0.0000 C   0  0
   -7.7876    7.5110    0.0000 C   0  0
   -9.0866    8.2610    0.0000 Cl  0  0
   -7.7876    6.0110    0.0000 C   0  0
   -6.4886    5.2609    0.0000 C   0  0
   -1.2948    3.7516    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    7.7875   -7.5110    0.0000 C   0  0
    9.0866   -8.2610    0.0000 Cl  0  0
    7.7876   -6.0110    0.0000 C   0  0
    6.4885   -5.2610    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  3
 15 16  1  0
 15 17  1  0
 17 18  2  3
 18 12  1  0
  9 19  2  0
  7 20  1  0
 20 21  1  0
 21  4  1  0
  2 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  3
 25 26  1  0
 26 27  2  3
 27 28  1  0
 27 29  1  0
 29 30  2  3
 30 24  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13594

> <plate>
PLATE 001

> <well>
D4

> <supplier_cmpd_name>
ISRIB

> <ctcr_id>
11430

> <supplier_cmpd_id>
T2027

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{EIF2A,EIF2AK3}

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

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

> <pdid>
PD012842

> <targets>
{PERK}

> <classes>
{MAPK}

> <pubchem_cids>
{1011240}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 F   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
    1.2946    3.7547    0.0000 C   0  0
    2.5943    3.0056    0.0000 C   0  0
    3.8928    3.7565    0.0000 C   0  0
    3.8918    5.2565    0.0000 C   0  0
    5.1903    6.0074    0.0000 Br  0  0
    2.5923    6.0056    0.0000 C   0  0
    1.2937    5.2548    0.0000 C   0  0
   -0.0058    6.0039    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0983    0.7368    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
  8 18  2  0
 18 19  1  0
 19 20  2  0
 20  2  1  0
 20  5  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13595

> <plate>
PLATE 001

> <well>
D5

> <supplier_cmpd_name>
Binimetinib

> <ctcr_id>
2560

> <supplier_cmpd_id>
T2508

> <smiles>
Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO

> <pd_targets>
{EGFR,MAP2K1,MAP2K2,MAP3K1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","STE protein kinase group","Tyrosine protein kinase EGFR family","STE protein kinase STE7 family","STE protein kinase STE11 family"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","TK: Tyrosine kinase","STE7 family","Receptor ty
rosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","STE11 family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","GPCR downstream signalling","Signaling by NTRKs","G alpha (q) signalling events","Signaling by NTRK1 (TRKA)","Gastr
in-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","EGFR Transactivation by Gastrin","Prolonged ERK activation events","Frs2-mediated activation","Immune System","Innate Immune System",
"Toll-like Receptor Cascades","Toll Like Receptor 2 (TLR2) Cascade","Toll Like Receptor TLR6:TLR2 Cascade","MyD88:MAL(TIRAP) cascade initiated on plasma membrane"}

> <broad_targets>
{MAP2K1}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{Selumetinib,606143-52-6,606143526,AZD6244,"AZD 6244",ARRY-142886,ARRY142886,AZD-6244,"Selumetinib (AZD6244)","ARRY 142886","AZD6244 (Selumetinib)",ARRY-886,ARRY886,UNII-6UH91I579U,UNII6UH91I579U,CHEM
BL1614701,CHEBI:90227,6UH91I579U,NCGC00189073-01,NCGC0018907301,NCGC00189073-02,NCGC0018907302,C17H15BrClFN4O,T2508,T6218,S1008,Binimetinib,AZD6244(Selumetinib)}

> <pdid>
PD003249

> <targets>
{MEK}

> <classes>
{}

> <pubchem_cids>
{10127622}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 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>
TargetMol_L1400_MAPK inhibitor library

> <id>
13596

> <plate>
PLATE 001

> <well>
D6

> <supplier_cmpd_name>
PLX4720

> <ctcr_id>
2026

> <supplier_cmpd_id>
T2473

> <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}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    1.2948   -3.7516    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
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1944   -3.0088    0.0000 C   0  0
    6.4947   -2.2611    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   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
    6.4900   -5.2665    0.0000 C   0  0
    7.7869   -6.0202    0.0000 F   0  0
    6.4947   -3.7665    0.0000 F   0  0
    7.7913   -4.5204    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
  2 11  2  0
 11 12  1  0
 12 13  3  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 21  1  0
 20 22  1  0
 20 23  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13597

> <plate>
PLATE 001

> <well>
D7

> <supplier_cmpd_name>
SL-327

> <ctcr_id>
7690

> <supplier_cmpd_id>
T2708

> <smiles>
N\C(Sc1ccc(N)cc1)=C(C#N)/c2ccccc2C(F)(F)F

> <pd_targets>
{MAP2K2,RORC,HSD17B10,JUN,MAPK1,CYP3A4,MAPT,ALOX15,FTL,ALDH1A1,KMT2A,MEN1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Other cytosolic protein","Unclassified protein","Epigenetic regulator",Kinase,"Nuclear receptor",Oxidoreductase,"Cytochrome P450",Reader,"Protein Kinase","Nuclear hormo
ne receptor subfamily 1","Cytochrome P450 family 3",Bromodomain,"STE protein kinase group","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Cytochrome P450 family 3A","STE p
rotein kinase STE7 family","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cytochrome P450 3A4","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Cytochrome P450","Eicosanoid turnover","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","1F. Retinoic acid-re
lated orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family",Lipoxygenases,"STE7 family","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Metabolism,"Immune System","Neuronal System","Vesicle-mediated transport","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcrip
tion","Metabolism of amino acids and derivatives","Innate Immune System","Metabolism of lipids","Transmission across Chemical Synapses","Membrane Trafficking","Biological oxidations","Signaling by NTR
Ks","Generic Transcription Pathway","Branched-chain amino acid catabolism","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotransmitter receptors and pos
tsynaptic signal transmission","trans-Golgi Network Vesicle Budding","Phase I - Functionalization of compounds","Signaling by NTRK1 (TRKA)","Transcriptional regulation by RUNX3","Toll Like Receptor 5 
(TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Biosynthesis of DPA-derived SPMs","Golgi Associated Vesicle Biogenesis","Ethanol oxidation","
Signalling to ERKs","RUNX3 Regulates Immune Response and Cell Migration","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Post NMDA receptor activation events","Biosynthesis of
 DPAn-3 SPMs","Prolonged ERK activation events","MAP kinase activation","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived protectins and res
olvins","Frs2-mediated activation","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SL327,305350-87-2,305350872,"305350 87 2",SL-327,"SL 327","MEK1/2 Inhibitor",C16H12F3N3S,MFCD06411432,K00090,SCHEMBL570317,SCHEMBL570318,GTPL6008,CHEBI:92211,AOB5954,DTXSID90429549,HMS3229K18,HMS3414
M21,HMS3678M21,HMS3884G03,BCP05310,EX-A1069,EXA1069,EXA106,"EMD 444939",1969,444939}

> <pdid>
PD011155

> <targets>
{MEK}

> <classes>
{}

> <pubchem_cids>
{9549284}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 34 38  0  0  0  0            999 V2000
   11.3674  -11.3569    0.0000 C   0  0
   10.6553  -10.0368    0.0000 N   0  0
   11.4429   -8.7602    0.0000 C   0  0
    9.1551   -9.9924    0.0000 C   0  0
    8.4426   -8.6715    0.0000 C   0  0
    6.9424   -8.6271    0.0000 O   0  0
    6.2299   -7.3062    0.0000 C   0  0
    4.7306   -7.2597    0.0000 C   0  0
    4.0212   -5.9381    0.0000 C   0  0
    4.8092   -4.6676    0.0000 C   0  0
    6.3104   -4.7094    0.0000 C   0  0
    7.0198   -6.0310    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
   -2.7248   -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
  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
 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  3
 24 25  1  0
 20 26  2  0
 26 16  1  0
 15 27  2  0
 27 28  1  0
 28 13  2  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 29  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13598

> <plate>
PLATE 001

> <well>
D8

> <supplier_cmpd_name>
SB590885

> <ctcr_id>
659

> <supplier_cmpd_id>
T2295

> <smiles>
CN(C)CCOc1ccc(cc1)c2[nH]c(c3ccc4c(CCC4=NO)c3)c(n2)c5ccncc5

> <pd_targets>
{BRAF,RAF1,RIPK2}

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

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

> <pathway_reactome>
{"Signal Transduction","Immune System","Signaling by Receptor Tyrosine Kinases","MAPK family signaling cascades","Innate Immune System","Signaling by NTRKs","MAPK1/MAPK3 signaling","Toll-like Receptor
 Cascades","Signaling by NTRK1 (TRKA)","RAF/MAP kinase cascade","Toll Like Receptor 5 (TLR5) Cascade","Signalling to ERKs","Negative regulation of MAPK pathway","MyD88 cascade initiated on plasma memb
rane","Prolonged ERK activation events","Negative feedback regulation of MAPK pathway","MAP kinase activation","ARMS-mediated activation","activated TAK1 mediates p38 MAPK activation"}

> <broad_targets>
{BRAF}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{405554-55-4,405554554,UNII-ISE5ATW631,UNIIISE5ATW631,SB-590885,SB590885,ISE5ATW631,CHEMBL1891617,C27H27N5O2,SB-590885-AAD,SB590885AAD,GTPL9389,SYN1077,CHEBI:131880,HMS3244C05,HMS3244C06,HMS3244D05,HM
S3265I03,HMS3265I04,HMS3265J03,HMS3265J04,HMS3655F12,BCP01889,AKOS024457220,ZINC1107870,SY-SB-590885,S2220}

> <pdid>
PD010819

> <targets>
{B-Raf,Raf}

> <classes>
{MAPK}

> <pubchem_cids>
{135564599}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.6177   -1.4570    0.0000 C   0  0
   -5.8657   -2.7548    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 C   0  0
    2.6005   -2.9949    0.0000 C   0  0
    3.9021   -3.7404    0.0000 C   0  0
    3.9073   -5.2404    0.0000 C   0  0
    5.2089   -5.9859    0.0000 I   0  0
    2.6108   -5.9949    0.0000 C   0  0
    1.3092   -5.2494    0.0000 C   0  0
    0.0128   -6.0039    0.0000 F   0  0
   -2.5981    3.0007    0.0000 C   0  0
   -1.3003    3.7529    0.0000 C   0  0
   -1.3026    5.2529    0.0000 C   0  0
   -2.6029    6.0009    0.0000 C   0  0
   -3.9007    5.2488    0.0000 C   0  0
   -5.2032    5.9944    0.0000 N   0  0
   -6.5007    5.2401    0.0000 C   0  0
   -6.4957    3.7401    0.0000 C   0  0
   -7.8025    5.9854    0.0000 O   0  0
   -3.8983    3.7488    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 11  1  0
 10 14  1  0
 14 15  2  0
 14 16  1  0
 16  6  1  0
 16 17  2  3
 17  2  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
 25 26  1  0
  7 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 31 36  2  0
 36 27  1  0
  5 37  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13599

> <plate>
PLATE 001

> <well>
D9

> <supplier_cmpd_name>
Trametinib

> <ctcr_id>
311

> <supplier_cmpd_id>
T2125

> <smiles>
CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(C)=O)c5)C

> <pd_targets>
{MAP2K1,MAP2K2,ABCB1,BRAF}

> <pathway_gtopdb>
{Enzyme,Transporter,Kinase,"Primary active transporter","Protein Kinase","ATP-binding cassette","STE protein kinase group","ABCB subfamily","TKL protein kinase group","STE protein kinase STE7 family",
"TKL protein kinase RAF family"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Kinases (EC 2.7.x.x)","ATP-binding cassette transporter family","Catalytic receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","ABCB subfam
ily","Receptor kinases","STE7 family","TKL: Tyrosine kinase-like","RAF family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Signaling by Receptor Tyrosine Kinases","Abacavir transport and metabolism","Signaling by NTRKs","Abacavir transmembrane transport","Signaling by NTRK1 (TRKA)","Sign
alling to ERKs","Prolonged ERK activation events","Frs2-mediated activation","ARMS-mediated activation"}

> <broad_targets>
{MAP2K1,MAP2K2}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{Trametinib,871700-17-3,871700173,GSK1120212,Mekinist,GSK-1120212,"JTP 74057",JTP-74057,JTP74057,"GSK 1120212","Trametinib (GSK1120212)",GSK212,UNII-33E86K87QN,UNII33E86K87QN,TMT212,CHEBI:75998,TMT-21
2,33E86K87QN,"Trametinib (USAN:INN)",trametinibum,QOM,"Trametinib (USAN)",T2125,758246,S2673,trametinib,"GSK1120212 (Trametinib)"}

> <pdid>
PD003250

> <targets>
{MEK}

> <classes>
{MAPK,"Kinase inhibitor"}

> <pubchem_cids>
{11707110}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
   -7.6380   -7.9104    0.0000 C   0  0
   -6.1715   -8.2255    0.0000 N   0  0
   -5.7116   -9.6532    0.0000 C   0  0
   -5.1640   -7.1130    0.0000 C   0  0
   -3.6967   -7.4283    0.0000 C   0  0
   -3.2334   -8.8550    0.0000 C   0  0
   -1.7662   -9.1671    0.0000 C   0  0
   -0.7624   -8.0525    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 N   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
   -0.0031    3.0008    0.0000 C   0  0
    1.2946    3.7531    0.0000 O   0  0
   -1.3039    3.7494    0.0000 N   0  0
   -1.3070    5.2494    0.0000 C   0  0
   -2.6017    2.9971    0.0000 C   0  0
   -2.1574   -3.7721    0.0000 C   0  0
   -2.6252   -2.3468    0.0000 C   0  0
   -4.0934   -2.0392    0.0000 C   0  0
   -5.0938   -3.1569    0.0000 C   0  0
   -4.6261   -4.5821    0.0000 C   0  0
   -3.1580   -4.8897    0.0000 C   0  0
   -2.6928   -6.3138    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  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 12  1  0
 21 16  1  0
 18 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 11 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
  9 33  2  0
 33  5  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13600

> <plate>
PLATE 001

> <well>
D10

> <supplier_cmpd_name>
BIX02189

> <ctcr_id>
6735

> <supplier_cmpd_id>
T2416

> <smiles>
CN(C)Cc1cccc(NC(=C2C(=O)Nc3cc(ccc23)C(=O)N(C)C)c4ccccc4)c1

> <pd_targets>
{MAP2K5,MAPK7,TGFBR1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","STE protein kinase group","CMGC protein kinase group","TKL protein kinase group","STE protein kinase STE7 family","CMGC protein kinase MAPK family","TKL protein kinase
 STKR family","CMGC protein kinase ERK5","TKL protein kinase STKR Type 1 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",
"STE7 family","Mitogen-activated protein kinases (MAP kinases)","TKL: Tyrosine kinase-like","ERK subfamily","Receptor serine/threonine kinase (RSTK) family","Type I receptor serine/threonine kinases"}

> <pathway_reactome>
{"Signal Transduction","Immune System",Disease,"Signaling by Receptor Tyrosine Kinases","Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Signa
ling by NTRKs","Toll-like Receptor Cascades","Signaling by TGF-beta Receptor Complex in Cancer","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","Loss of Function of SMAD2/3 in Cancer
","Signalling to ERK5","MyD88 cascade initiated on plasma membrane","SMAD2/3 Phosphorylation Motif Mutants in Cancer","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","ER
K/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{MAP2K5,MAPK7}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{S1531,T2416,BIX02189,"BIX 02189"}

> <pdid>
PD010988

> <targets>
{MEK,ERK}

> <classes>
{MAPK,MAPK/ERK Pathway,Stem Cell/Wnt}

> <pubchem_cids>
{73265217}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 25 27  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
   -2.5973    1.5031    0.0000 C   0  0
   -3.8976    0.7553    0.0000 O   0  0
   -2.5951    3.0039    0.0000 N   0  0
   -3.8933    3.7570    0.0000 O   0  0
   -3.8912    5.2578    0.0000 C   0  0
   -5.1894    6.0109    0.0000 C   0  0
   -5.8603    7.2642    0.0000 C   0  0
   -6.6103    5.9651    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
   -1.2935   -3.7495    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -2.5795   -7.5040    0.0000 I   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -5.1932   -3.0130    0.0000 Cl  0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  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 11  1  0
  5 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
 14 24  2  0
 24  2  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13601

> <plate>
PLATE 001

> <well>
D11

> <supplier_cmpd_name>
CI-1040

> <ctcr_id>
6788

> <supplier_cmpd_id>
T2443

> <smiles>
Fc1ccc(C(=O)NOCC2CC2)c(Nc3ccc(I)cc3Cl)c1F

> <pd_targets>
{MAP2K1,CSNK2A1,PDGFRB,CAMK2A,MAP2K2,RAF1,AURKC,CSNK2A2,CSNK2A3,CSNK2B}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","STE protein kinase group","Other protein kinase group","TK protein kinase group","CAMK protein kinase group","TKL protein kinase group","STE protein kinase STE7 family
","Other protein kinase CK2 family","Tyrosine protein kinase PDGFR family","CAMK protein kinase CAMK2 family","TKL protein kinase RAF family","Other protein kinase AUR family"}

> <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","CAMK: Calcium/calmodulin-dependent protein kina
ses","STE7 family","Other protein kinases","TK: Tyrosine kinase","CAMK2 family","TKL: Tyrosine kinase-like","Casein kinase 2 (CK2) family","Receptor tyrosine kinases (RTKs)","RAF family","Aurora kinas
e (Aur) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Neuronal System","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Intracellular signaling by second messengers","Tr
ansmission across Chemical Synapses","MAPK family signaling cascades","Signaling by NTRKs","Generic Transcription Pathway","PIP3 activates AKT signaling","Neurotransmitter receptors and postsynaptic s
ignal transmission","MAPK1/MAPK3 signaling","Signaling by NTRK1 (TRKA)","Transcriptional Regulation by TP53","Negative regulation of the PI3K/AKT network","Activation of NMDA receptors and postsynapti
c events","RAF/MAP kinase cascade","Signalling to ERKs","Regulation of TP53 Activity",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Post NMDA receptor activation events","Negative regulation of MA
PK pathway","Prolonged ERK activation events","Regulation of TP53 Activity through Phosphorylation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Negative feedbac
k regulation of MAPK pathway","Frs2-mediated activation","Ras activation upon Ca2+ influx through NMDA receptor"}

> <broad_targets>
{MAP2K1,MAP3K1,MAP3K2}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{"I1040 (PD184352",212631-79-3,212631793,CI-1040,CI1040,PD184352,"PD 184352",PD-184352,"2-(2-chloro-4-iodophenylamino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide","2(2chloro4iodophenylamino)N(cyclop
ropylmethoxy)3,4difluorobenzamide","PD184352 (CI-1040)","PD184352 (CI1040)","CI 1040",2-(2-chloro-4-iodophenylamino)-N-cyclopropylmethoxy-3,2(2chloro4iodophenylamino)Ncyclopropylmethoxy3,4-difluorobe,
4difluorobe,T2443,S1020,"CI-1040 (PD184352)"}

> <pdid>
PD011192

> <targets>
{MEK}

> <classes>
{}

> <pubchem_cids>
{6918454}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    5.0987   -2.1052    0.0000 Cl  0  0
    2.6015   -1.5060    0.0000 N   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
   -5.2080   -5.9890    0.0000 C   0  0
   -5.2111   -7.4890    0.0000 O   0  0
   -6.5058   -5.2368    0.0000 N   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
   -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
   -3.8861   -0.7410    0.0000 C   0  0
   -2.5709    1.5004    0.0000 N   0  0
   -2.4204    2.9800    0.0000 N   0  0
   -0.9506    3.2794    0.0000 C   0  0
   -0.2117    1.9740    0.0000 C   0  0
   -1.2248    0.8679    0.0000 N   0  0
   -2.6004   -2.9949    0.0000 N   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  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
 14 16  1  0
 13 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
 23 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 25  1  0
 17 30  2  0
 30 10  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13602

> <plate>
PLATE 001

> <well>
E2

> <supplier_cmpd_name>
PRT062607 hydrochloride

> <ctcr_id>
2642

> <supplier_cmpd_id>
T2696

> <smiles>
Cl.NC1CCCCC1Nc2ncc(C(=O)N)c(Nc3cccc(c3)n4nccn4)n2

> <pd_targets>
{PRKCA,LCK,JAK2,YES1,SYK,FGR,ZAP70,MAP3K9,KCNH2,LYN,PAK5,SRC,FLT3}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","AGC protein kinase group","TK protein kinase group","TKL protein kinase group","Voltage-gated potassium 
channel","STE protein kinase group","AGC protein kinase PKC family","Tyrosine protein kinase Src family","Tyrosine protein kinase JakA family","Tyrosine protein kinase Syk family","TKL protein kinase 
MLK family","STE protein kinase STE20 family","Tyrosine protein kinase PDGFR family","AGC protein kinase PKC alpha subfamily","TKL protein kinase MLK subfamily","STE protein kinase PAKB subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Kinases (EC 2.7.x.x)","Catalytic receptors","Voltage-gated ion channels","AGC: Containing PKA",PKG,"PKC families","Receptor kinases","Potassium channels","STE: Homol
ogs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Protein kinase C (PKC) family","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","Voltage-gated potassium channels","STE20 family","Delta sub
family","Non-receptor tyrosine kinases (nRTKs)","Mixed Lineage Kinase (MLK) family","PAKB subfamily","Receptor tyrosine kinases (RTKs)","Src family","Janus kinase (JakA) family","Syk family","MLK subf
amily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Cell Cycle","Immune System","Muscle contraction","Developmental Biology","Signaling by GPCR","Infectious disease",Mitotic,"Adaptive Immune System","Cardiac conduction",
"Nervous system development","Signaling by Receptor Tyrosine Kinases","GPCR downstream signalling","HIV Infection","Mitotic G1 phase and G1/S transition","Leishmania infection","TCR signaling","Phase 
3 - rapid repolarisation","Axon guidance","Signaling by NTRKs","Signaling by Insulin receptor","G alpha (i) signalling events","Host Interactions of HIV factors","G1 Phase","Leishmania parasite growth
 and survival","Generation of second messenger molecules","Signaling by ROBO receptors","Signaling by NTRK1 (TRKA)","Insulin receptor signalling cascade","Visual phototransduction","The role of Nef in
 HIV-1 replication and disease pathogenesis","Cyclin D associated events in G1","Anti-inflammatory response favouring Leishmania parasite infection","Activation of RAC1","Signalling to ERKs","IRS-medi
ated signalling","The phototransduction cascade","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated IL10 synthesis","Signalling to RAS","
PI3K Cascade",Inactivation,"recovery and regulation of the phototransduction cascade","Nef Mediated CD4 Down-regulation","p38MAPK events"}

> <broad_targets>
{FGR,MAP3K9,SYK}

> <broad_moa>
{"SYK inhibitor"}

> <synonyms>
{"PRT062607 Hydrochloride",P505-15,P50515,HMS3747O07,AKOS026750604,AK340969,DA-45582,DA45582,FT-0772444,FT0772444,T2696,S8032,"PRT062607 hydrochloride","PRT062607 (P505-15, BIIB057) HCl"}

> <pdid>
PD013056

> <targets>
{Syk}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{76471243}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
    3.9068   -5.2448    0.0000 C   0  0
    3.9047   -3.7448    0.0000 N   0  0
    5.2029   -2.9917    0.0000 C   0  0
    6.5032   -3.7395    0.0000 O   0  0
    5.2007   -1.4909    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    7.7988   -1.4819    0.0000 F   0  0
    6.4920    0.7636    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -5.3262    3.2720    0.0000 N   0  0
   -6.2121    4.4824    0.0000 C   0  0
   -5.3346    5.6990    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -0.0136    6.0070    0.0000 O   0  0
   -0.0210    7.5070    0.0000 C   0  0
   -5.7870    1.8463    0.0000 C   0  0
   -4.7811    0.7335    0.0000 O   0  0
   -7.2543    1.5310    0.0000 C   0  0
   -7.7158    0.1029    0.0000 N   0  0
   -9.1823   -0.2122    0.0000 C   0  0
   -6.7100   -1.0099    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  5  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 19  2  0
 23 24  1  0
 24 25  2  0
 25 17  1  0
 25 26  1  0
 26 27  1  0
 20 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 15 34  2  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 13  1  0
 39 35  2  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13603

> <plate>
PLATE 001

> <well>
E3

> <supplier_cmpd_name>
GSK1838705A

> <ctcr_id>
6349

> <supplier_cmpd_id>
T3079

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

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

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

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","AGC: Containing
 PKA",PKG,"PKC families","CK1: Casein kinase 1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",Atypical,"CAMK-unique family","Dual-specificity tyrosine-(Y)-phosphorylation regula
ted kinase (DYRK) family","TK: Tyrosine kinase","Myosin Light Chain Kinase (MLCK) family","Mitogen-activated protein kinases (MAP kinases)","Phosphorylase kinase (PHK) family","CAMK1 family","Protein 
kinase D (PKD) family","RSK family","CLK family","Casein kinase 1 (CK1) family","DCAMKL family","STE20 family","Other protein kinases","RIO family","STE7 family","TKL: Tyrosine kinase-like","Testis sp
ecific kinase (TSSK) family","CAMK-like (CAMKL) family","G protein-coupled receptor kinases (GRKs)","Death-associated kinase (DAPK) family","Dyrk1 subfamily","Non-receptor tyrosine kinases (nRTKs)","J
NK subfamily","RSK subfamily","Receptor tyrosine kinases (RTKs)","HIPK subfamily","STE20 subfamily","FRAY subfamily","Polo-like kinase (PLK) family","RIO2 subfamily","TAO subfamily","Leucine-rich repe
at kinase (LRRK) family","NAK family","CHK1 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","Opsin/rhodopsin kinases","Casein kinase 2 (CK2) family","Mixed Lineage Kinase (MLK) fam
ily","TTK family","Numb-associated kinase (NAK) family","Other-unique family","Fak family","Janus kinase (JakA) family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XI RTKs: TAM
 (TYRO3-","AXL- and MER-TK) receptor family","Type II RTKs: Insulin receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor fam
ily","Type XVII RTKs: ROS receptors","Fer family","TAK1 subfamily","Ack family"}

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

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

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

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

> <pdid>
PD010878

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

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{25182616}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    7.7962   -1.5128    0.0000 C   0  0
    6.4994   -0.7589    0.0000 O   0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    3.9015    0.7475    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  7 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 10  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13604

> <plate>
PLATE 001

> <well>
E4

> <supplier_cmpd_name>
PD 98059

> <ctcr_id>
4311

> <supplier_cmpd_id>
T2623

> <smiles>
COc1cccc(c1N)C2=CC(=O)c3ccccc3O2

> <pd_targets>
{HPGD,CYP3A4,CYP1A2,MAPK1,PTGS1,SMN1,TSHR,MAPT,CYP2C19,PYK,MAP2K1,ALDH1A1,PMP22,PKM,ALOX15,THPO,TP53,CYP2D6,CYP2C9,KMT2A,MEN1,LEF,BLM,NPC1,CHRM1,RAF1,RAB9A,MAP2K2,GMNN,RORC}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Other cytosolic protein","Unclassified protein","Transcription factor",Transporter,"Cytochrome P450",Kinase,Oxidoreductase,Reader,"Family A G protei
n-coupled receptor",Transferase,Protease,Hydrolase,"Nuclear receptor","Cytochrome P450 family 3","Cytochrome P450 family 1","Protein Kinase","Methyl-lysine/arginine binding protein","Peptide receptor 
(family A GPCR)","Cytochrome P450 family 2",Bromodomain,"Metallo protease","Small molecule receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3A","Cytochrome P450
 family 1A","CMGC protein kinase group","Tudor domain","Glycohormone receptor","Cytochrome P450 family 2C","STE protein kinase group","Cytochrome P450 family 2D","Metallo protease MAE clan","Monoamine
 receptor","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 3A4","Cytochrome P450 1A1","CMGC protein kinase MAPK family","Cytochrome P450 2C19","STE protein kinase STE7 family","Cytochr
ome P450 2D6","Cytochrome P450 2C9","Metallo protease M34 family","Acetylcholine receptor","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Eicosanoid turnover","Cytochrome P450","Kinases (EC 2.7.x.x)","G protein-coupled receptors","2.7.1.40 Pyruvate kinases","SLC superfamily of solute carriers","Nuclear h
ormone receptors","Prostaglandin synthases","CYP3 family","CYP1 family","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Cyclooxygenase,"Glycoprotein hormone receptors","CYP2 family: drug metabolising 
subset","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",Lipoxygenases,"SLC65 NPC-type cholesterol transporters","Acetylcholine receptors (muscarinic)","1F. Retinoic acid-related o
rphans","Mitogen-activated protein kinases (MAP kinases)","STE7 family","ERK subfamily"}

> <pathway_reactome>
{Metabolism,"Immune System","Metabolism of RNA",Disease,"Neuronal System","Signal Transduction","Developmental Biology",Hemostasis,"Cell Cycle","DNA Repair","Transport of small molecules","Gene expres
sion (Transcription)","Metabolism of lipids","Biological oxidations","Innate Immune System","Metabolism of non-coding RNA","Infectious disease","Transmission across Chemical Synapses","Signaling by Re
ceptor Tyrosine Kinases","Nervous system development","Metabolism of carbohydrates","Platelet activation","signaling and aggregation","Cell Cycle Checkpoints","DNA Double-Strand Break Repair","Plasma 
lipoprotein assembly",remodeling,"and clearance","Signaling by GPCR","Signaling by Rho GTPases",Mitotic,"RNA Polymerase II Transcription","Biosynthesis of specialized proresolving mediators (SPMs)","P
hase I - Functionalization of compounds","Toll-like Receptor Cascades","Fatty acid metabolism","snRNP Assembly","Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission"
,"Signaling by NTRKs","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Glucose metabolism","Platelet Aggregation (Plug Formation)","G1/S DNA Damage Checkpoints","Uptake and actions of
 bacterial toxins","Homology Directed Repair","Plasma lipoprotein clearance","GPCR ligand binding","Rho GTPase cycle","Mitotic G1 phase and G1/S transition","Generic Transcription Pathway","Biosynthes
is of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Toll Like Receptor 5 (TLR5) Cascade","Arachidonic acid metabolism","Leishmania parasite growth and survival","Activation of NMDA
 receptors and postsynaptic events","Signaling by NTRK1 (TRKA)","Ethanol oxidation",Glycolysis,"Biosynthesis of DPA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Uptake and function of ant
hrax toxins","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","LDL clearance","Class A/1 (Rhodopsin-like receptors)","RHOBTB GTPase Cycle","G1/S Transition","Transcription
al regulation by RUNX3","Biosynthesis of D-series resolvins","Biosynthesis of maresins",Xenobiotics,"MyD88 cascade initiated on plasma membrane","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)
","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor activation events","Signalling to ERKs","Biosynthesis of DPAn-3 SPMs","p53-Dependent G1 DNA Damage Response",
"HDR through Homologous Recombination (HRR)","Amine ligand-binding receptors","RHOBTB3 ATPase cycle","Activation of the pre-replicative complex","RUNX3 Regulates Immune Response and Cell Migration","B
iosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAP kinase activation","ADORA2B mediated anti-inflammatory cytokines production","Activation of AM
PK downstream of NMDARs","CYP2E1 reactions","Prolonged ERK activation events","Biosynthesis of DPAn-3-derived protectins and resolvins","Stabilization of p53","Homologous DNA Pairing and Strand Exchan
ge","Muscarinic acetylcholine receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Frs2-mediated activation","Autodegradation of the E3 ubiquitin ligase COP1","Presynaptic phase of homol
ogous DNA pairing and strand exchange","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{AKT1,CHEK1,GSK3B,LCK,MAP2K1,MAPK1,MAPK11,MAPK12,MAPK14,MAPK8,PRKCA,RAF1,ROCK1,RPS6KB1,SGK1}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{167869-21-8,167869218,PD98059,"PD 98059",2-(2-amino-3-methoxyphenyl)-4H-chromen-4-one,2(2amino3methoxyphenyl)4Hchromen4one,PD-98059,"PD 98,059",2-(2-amino-3-methoxyphenyl)chromen-4-one,2(2amino3metho
xyphenyl)chromen4one,2-(2-Amino-3-methoxyphenyl)-4H-1-benzopyran-4-one,2(2Amino3methoxyphenyl)4H1benzopyran4one,2'-AMINO-3'-METHOXYFLAVONE,2'AMINO3'METHOXYFLAVONE,PD-098059,PD098059,4H-1-Benzopyran-4-
one,4H1Benzopyran4one,T2623,"EMD 513000",S1177,1213,EI-360,513000}

> <pdid>
PD002681

> <targets>
{MEK}

> <classes>
{}

> <pubchem_cids>
{4713}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 31 35  0  0  0  0            999 V2000
   -5.1639   -7.1162    0.0000 C   0  0
   -3.6967   -7.4283    0.0000 C   0  0
   -3.2334   -8.8550    0.0000 C   0  0
   -1.7662   -9.1671    0.0000 C   0  0
   -0.7624   -8.0525    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 O   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 F   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
   -1.2147    3.8589    0.0000 C   0  0
   -0.7532    5.2861    0.0000 N   0  0
   -1.6366    6.4985    0.0000 C   0  0
    0.7459    5.2880    0.0000 C   0  0
    1.7480    6.4042    0.0000 N   0  0
    3.2157    6.0944    0.0000 C   0  0
    3.6813    4.6685    0.0000 N   0  0
    2.6792    3.5523    0.0000 C   0  0
    3.1448    2.1264    0.0000 N   0  0
    1.2115    3.8621    0.0000 C   0  0
   -2.6928   -6.3138    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 10  1  0
 19 13  1  0
 16 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
 30 20  1  0
 30 24  1  0
  6 31  2  0
 31  2  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13605

> <plate>
PLATE 001

> <well>
E5

> <supplier_cmpd_name>
GSK2656157

> <ctcr_id>
7881

> <supplier_cmpd_id>
T2654

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

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

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

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

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

> <broad_targets>
{}

> <broad_moa>
{"PERK inhibitor"}

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

> <pdid>
PD012674

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{53469059}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 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>
TargetMol_L1400_MAPK inhibitor library

> <id>
13606

> <plate>
PLATE 001

> <well>
E6

> <supplier_cmpd_name>
OSI 930

> <ctcr_id>
6873

> <supplier_cmpd_id>
T2624

> <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}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 21 24  0  0  0  0            999 V2000
    4.9531   -1.9978    0.0000 N   0  0
    4.2010   -3.2956    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.7171    0.9385    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  1  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  4 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 12  1  0
 21 16  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13607

> <plate>
PLATE 001

> <well>
E7

> <supplier_cmpd_name>
LY-364947

> <ctcr_id>
11450

> <supplier_cmpd_id>
T2048

> <smiles>
[nH]1ncc(c1c1ccccn1)c1ccnc2ccccc12

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Y36494,396129-53-6,396129536,LY-364947,LY364947,4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)quinoline,4(3(pyridin2yl)1Hpyrazol4yl)quinoline,4-(3-PYRIDIN-2-YL-1H-PYRAZOL-4-YL)QUINOLINE,4(3PYRIDIN2YL1HPYRAZOL4
YL)QUINOLINE,"TGF-beta RI Kinase Inhibitor","TGFbeta RI Kinase Inhibitor","HTS 466284","TbetaR-I Inhibitor","TbetaRI Inhibitor","LY 364947",HTS-466284,HTS466284,CHEMBL261454,4-(3-pyridin-2-yl)(1h),4(3
pyridin2yl)(1h),T2048}

> <pdid>

> <targets>
{CK1¦Ä,MLK-7K,TGF¦ÂRI,TGF¦ÂRII,RIPK2}

> <classes>
{Metabolism,Apoptosis,MAPK,"Stem Cells"}

> <pubchem_cids>
{447966}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.9511   -0.8815    0.0000 C   0  0
   -4.9530   -1.9978    0.0000 N   0  0
   -4.2010   -3.2957    0.0000 C   0  0
   -2.7343   -2.9815    0.0000 N   0  0
   -4.8092   -4.6676    0.0000 C   0  0
   -6.2798   -4.9368    0.0000 C   0  0
   -6.7828   -6.3500    0.0000 C   0  0
   -5.8105   -7.4922    0.0000 C   0  0
   -4.3352   -7.2212    0.0000 C   0  0
   -3.8322   -5.8081    0.0000 C   0  0
   -4.2568    0.5878    0.0000 C   0  0
   -3.2235    1.6679    0.0000 C   0  0
   -3.6446    3.1076    0.0000 C   0  0
   -5.1020    3.4627    0.0000 N   0  0
   -6.1382    2.3782    0.0000 C   0  0
   -5.7171    0.9385    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  2  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13  9  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 10 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13608

> <plate>
PLATE 001

> <well>
E8

> <supplier_cmpd_name>
L-779450

> <ctcr_id>
11453

> <supplier_cmpd_id>
T1953

> <smiles>
Oc1c(Cl)ccc(c1)c1c([nH]c(n1)c1ccccc1)c1ccncc1

> <pd_targets>
{RAF1,BRAF}

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

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

> <pathway_reactome>
{"Signal Transduction","MAPK family signaling cascades","Signaling by Receptor Tyrosine Kinases","MAPK1/MAPK3 signaling","Signaling by NTRKs","RAF/MAP kinase cascade","Signaling by NTRK1 (TRKA)","Nega
tive regulation of MAPK pathway","Signalling to ERKs","Negative feedback regulation of MAPK pathway","Prolonged ERK activation events","ARMS-mediated activation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{77945,303727-31-3,303727313,L-779450,L779450,2-chloro-5-(2-phenyl-5-(pyridin-4-yl)-1H-imidazol-4-yl)phenol,2chloro5(2phenyl5(pyridin4yl)1Himidazol4yl)phenol,"L-779,450","L779,450",2-chloro-5-(2-pheny
l-5-pyridin-4-yl-1H-imidazol-4-yl)phenol,2chloro5(2phenyl5pyridin4yl1Himidazol4yl)phenol,CHEMBL373011,2-Chloro-5-(2-phenyl-5-(4-pyridinyl)-1H-imidazol-4-yl)phenol,2Chloro5(2phenyl5(4pyridinyl)1Himidaz
ol4yl)phenol,C20H14ClN,T1953}

> <pdid>
PD012811

> <targets>
{Raf,Autophagy}

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

> <pubchem_cids>
{9950176}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 25 29  0  0  0  0            999 V2000
    3.8805   -1.4410    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2115    3.8621    0.0000 C   0  0
    2.6792    3.5523    0.0000 C   0  0
    3.6813    4.6685    0.0000 C   0  0
    3.2157    6.0944    0.0000 C   0  0
    1.7480    6.4042    0.0000 C   0  0
    0.7459    5.2880    0.0000 N   0  0
   -0.7533    5.2861    0.0000 N   0  0
   -1.2147    3.8589    0.0000 C   0  0
   -2.6386    3.3846    0.0000 C   0  0
   -3.0530    1.9485    0.0000 C   0  0
   -4.5093    1.5889    0.0000 C   0  0
   -5.5488    2.6704    0.0000 C   0  0
   -5.1320    4.1113    0.0000 C   0  0
   -3.6757    4.4708    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  3  1  0
  8  9  2  0
  9 10  1  0
 10  2  1  0
  5 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 12  1  0
 17 18  1  0
 18 19  2  0
 19 11  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13609

> <plate>
PLATE 001

> <well>
E9

> <supplier_cmpd_name>
FR180204

> <ctcr_id>
11454

> <supplier_cmpd_id>
T1956

> <smiles>
Nc1c2cc(nnc2n[nH]1)c1c2ccccn2nc1c1ccccc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{MAPK1,MAPK3}

> <broad_moa>
{"MAP kinase inhibitor"}

> <synonyms>
{865362-74-9,865362749,"FR 180204",FR180204,FR-180204,"ERK inhibitor II","5-(2-PHENYLPYRAZOLO(1,5-A)PYRIDIN-3-YL)-1H-PYRAZOLO(3,4-C)PYRIDAZIN-3-AMINE","5(2PHENYLPYRAZOLO(1,5A)PYRIDIN3YL)1HPYRAZOLO(3,4
C)PYRIDAZIN3AMINE",CHEMBL259551,"5-(2-phenylpyrazolo(1,5-a)pyridin-3-yl)-2H-pyrazolo(3,4-c)pyridazin-3-amine","5(2phenylpyrazolo(1,5a)pyridin3yl)2Hpyrazolo(3,4c)pyridazin3amine",C18H13N7,5-(2-,5(2,T19
56}

> <pdid>

> <targets>
{ERK1,ERK2}

> <classes>
{MAPK}

> <pubchem_cids>
{11493598}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 31 36  0  0  0  0            999 V2000
    2.4563  -10.5723    0.0000 O   0  0
    3.9371  -10.3328    0.0000 C   0  0
    4.4699   -8.9297    0.0000 N   0  0
    3.5235   -7.7682    0.0000 C   0  0
    3.9044   -6.3174    0.0000 S   0  0
    2.6429   -5.5074    0.0000 C   0  0
    2.4007   -4.0271    0.0000 C   0  0
    0.9977   -3.4965    0.0000 C   0  0
    0.7524   -2.0159    0.0000 N   0  0
   -0.6522   -1.4871    0.0000 C   0  0
   -1.8115   -2.4389    0.0000 O   0  0
   -0.8987    0.0000    0.0000 C   0  0
   -2.0541   -1.3755    0.0000 C   0  0
   -0.6052   -0.9721    0.0000 C   0  0
   -0.6052    0.5686    0.0000 C   0  0
    0.4035    1.7790    0.0000 C   0  0
    1.7790    1.2105    0.0000 C   0  0
    1.7607   -0.2751    0.0000 C   0  0
    0.7703   -1.5223    0.0000 C   0  0
    0.3852   -0.6052    0.0000 C   0  0
   -0.8987    1.3205    0.0000 C   0  0
   -0.1633   -4.4465    0.0000 C   0  0
    0.0789   -5.9268    0.0000 C   0  0
    1.4819   -6.4573    0.0000 C   0  0
    2.0260   -7.8542    0.0000 N   0  0
    4.8850  -11.4964    0.0000 C   0  0
    4.3546  -12.8995    0.0000 C   0  0
    5.3044  -14.0605    0.0000 C   0  0
    6.7847  -13.8184    0.0000 C   0  0
    7.3152  -12.4153    0.0000 C   0  0
    6.3654  -11.2544    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 18 20  1  0
 20 12  1  0
 16 21  1  0
 21 12  1  0
  8 22  2  0
 22 23  1  0
 23 24  2  0
 24  6  1  0
 24 25  1  0
 25  4  2  0
  2 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13610

> <plate>
PLATE 001

> <well>
E10

> <supplier_cmpd_name>
NVP 231

> <ctcr_id>
8359

> <supplier_cmpd_id>
T1933

> <smiles>
O=C(Nc1sc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2n1)c6ccccc6

> <pd_targets>
{CERK}

> <pathway_gtopdb>
{Enzyme,Transferase}

> <pathway_chembl>
{Enzymes,"Ceramide turnover","Ceramide kinase"}

> <pathway_reactome>
{Metabolism,"Metabolism of lipids","Sphingolipid metabolism","Glycosphingolipid metabolism"}

> <broad_targets>
{CERK}

> <broad_moa>
{"ceramidase inhibitor"}

> <synonyms>
{NVP231,"NVP 231",362003-83-6,362003836,"362003 83 6","N-(2-benzamido-1,3-benzothiazol-6-yl)adamantane-1-carboxamide","N(2benzamido1,3benzothiazol6yl)adamantane1carboxamide","N (2 benzamido 1,3 benzot
hiazol 6 yl)adamantane 1 carboxamide",N-(2-(b,N(2(b,T1933,3960}

> <pdid>
PD003702

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{4096211}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 36 36  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.6000    0.0000    0.0000 C   0  0
    3.8993    0.7496    0.0000 F   0  0
    3.8989   -0.7502    0.0000 F   0  0
    2.6000   -1.5000    0.0000 F   0  0
   24.5684   -7.1332    0.0000 C   0  0
   24.5705   -5.6332    0.0000 N   0  0
   25.8709   -4.8854    0.0000 C   0  0
   23.2723   -4.8801    0.0000 C   0  0
   23.2745   -3.3793    0.0000 C   0  0
   21.9763   -2.6262    0.0000 S   0  0
   21.9784   -1.1254    0.0000 S   0  0
   20.6802   -0.3723    0.0000 C   0  0
   20.6823    1.1285    0.0000 C   0  0
   19.3841    1.8816    0.0000 N   0  0
   19.3862    3.3824    0.0000 C   0  0
   20.6866    4.1302    0.0000 O   0  0
   18.0880    4.1355    0.0000 C   0  0
   18.0880    5.6355    0.0000 C   0  0
   16.7890    6.3855    0.0000 C   0  0
   15.4899    5.6355    0.0000 N   0  0
   15.4900    4.1355    0.0000 C   0  0
   16.7890    3.3855    0.0000 C   0  0
   14.1886    6.3833    0.0000 C   0  0
   14.1860    7.8833    0.0000 O   0  0
   12.8900    5.6310    0.0000 C   0  0
   11.5887    6.3787    0.0000 S   0  0
   10.2900    5.6265    0.0000 C   0  0
    8.9883    6.3719    0.0000 C   0  0
    7.6919    5.6174    0.0000 C   0  0
    7.6971    4.1174    0.0000 C   0  0
    6.4006    3.3629    0.0000 Cl  0  0
    8.9987    3.3719    0.0000 C   0  0
   10.2951    4.1264    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  4  6  1  0
  4  7  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 23 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 33 35  1  0
 35 36  2  0
 36 30  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13611

> <plate>
PLATE 001

> <well>
E11

> <supplier_cmpd_name>
6H05

> <ctcr_id>
11457

> <supplier_cmpd_id>
T1931

> <smiles>
OC(=O)C(F)(F)F.CN(C)CCSSCCNC(=O)C1CCN(CC1)C(=O)CSc1ccc(Cl)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"6H05 (trifluoroacetate)","6H05 trifluoroacetate","6H05 TFA","6H05 (TFA)","1469338-01-9 (free base)","1469338019 (free base)",s7330,HMS3653E14,"1469338-01-9(free base)","1469338019(free base)",HY-124
08A,HY12408A,AKOS026750271,CCG-270161,CCG270161,CS-3428,CS3428,DA-36141,DA36141,FT-0742955,FT0742955,SW219399-1,SW2193991,A14235,T1931,6H05}

> <pdid>
PD051237

> <targets>
{K-Ras(G12C)}

> <classes>
{MAPK}

> <pubchem_cids>
{86208069}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 N   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -3.8919   -5.2525    0.0000 Br  0  0
   -2.5964   -3.0004    0.0000 C   0  0
   -1.2962   -3.7484    0.0000 O   0  0
   -6.4946   -3.7544    0.0000 O   0  0
   -7.7945   -3.0042    0.0000 C   0  0
   -9.0946   -3.7540    0.0000 C   0  0
   -9.0923   -5.2541    0.0000 C   0  0
  -10.3902   -6.0061    0.0000 C   0  0
  -11.6904   -5.2581    0.0000 C   0  0
  -12.9883   -6.0102    0.0000 F   0  0
  -11.6927   -3.7581    0.0000 C   0  0
  -10.3949   -3.0061    0.0000 C   0  0
  -10.3973   -1.5061    0.0000 F   0  0
   -3.9015    0.7475    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  2  0
 11  5  1  0
 10 12  1  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 16 18  1  0
 18 12  1  0
 18 19  2  0
 15 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 22  1  0
 28 29  1  0
 13 30  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13612

> <plate>
PLATE 001

> <well>
F2

> <supplier_cmpd_name>
PH797804

> <ctcr_id>
6015

> <supplier_cmpd_id>
T1974

> <smiles>
CNC(=O)c1ccc(C)c(c1)N2C(=CC(=C(Br)C2=O)OCc3ccc(F)cc3F)C

> <pd_targets>
{MAPK14,MAPK11,ROCK2,MAPK12}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","AGC protein kinase group","CMGC protein kinase MAPK family","AGC protein kinase DMPK family","CMGC protein kinase p38 subfamily","AGC prote
in kinase ROCK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","Mitogen-activated protein kinases (MAP kinases)","DMPK family","p38 subfamily"
,"Rho kinase"}

> <pathway_reactome>
{"Immune System","Developmental Biology","Signal Transduction","Innate Immune System","Nervous system development","Signaling by Receptor Tyrosine Kinases","Toll-like Receptor Cascades","Axon guidance
","Signaling by NTRKs","Toll Like Receptor 5 (TLR5) Cascade","Semaphorin interactions","Signaling by NTRK1 (TRKA)","MyD88 cascade initiated on plasma membrane","Sema4D in semaphorin signaling","Signal
ling to ERKs","MAP kinase activation","Sema4D induced cell migration and growth-cone collapse","Signalling to RAS","MAPK targets/ Nuclear events mediated by MAP kinases","p38MAPK events","Activation o
f the AP-1 family of transcription factors"}

> <broad_targets>
{MAPK11,MAPK14}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{PH-797804,PH797804,586379-66-0,586379660,"PH 797804",UNII-SI09I1V827,UNIISI09I1V827,UNII-GEL7GRJ3R6,UNIIGEL7GRJ3R6,GEL7GRJ3R6,CHEMBL1088751,CHEBI:82715,SI09I1V827,PHA-797804,PHA797804,1358027-80-1,13
58027801,3hll,Kinome_3761,Kinome3761,Kinome-3761,"Kinome 3761",cc-53,cc53,MLS006011016,C22H19BrF2N2O3,"rac-PH 797804","racPH 797804",GTPL7818,SCHEMBL2015676,DTXSID70207,T1974,S2726}

> <pdid>
PD004869

> <targets>
{"p38 MAPK",Autophagy}

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

> <pubchem_cids>
{22049997}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 31 33  0  0  1  0            999 V2000
   -4.5468    6.8759    0.0000 O   0  0
   -4.5738    5.3762    0.0000 C   0  0
   -5.8863    4.6501    0.0000 O   0  0
   -3.2882    4.6017    0.0000 C   0  0
   -3.3152    3.1011    0.0000 C   0  0
   -2.0297    2.3266    0.0000 C   0  0
   -2.0567    0.8260    0.0000 C   0  0
   -0.8100    0.0300    0.0000 C   0  0  1  0  0  0
   -0.7985   -1.4700    0.0000 C   0  0
   -0.8100    1.5100    0.0000 O   0  0
    0.5500    2.3600    0.0000 C   0  0
    0.5708    3.8599    0.0000 O   0  0
    1.9200    1.4500    0.0000 C   0  0  1  0  0  0
    0.3800    1.8800    0.0000 C   0  0
   -0.6100    0.6500    0.0000 C   0  0
    0.6400   -0.8800    0.0000 C   0  0  2  0  0  0
    1.9200    0.0000    0.0000 C   0  0  1  0  0  0
    3.0900   -1.0200    0.0000 C   0  0
    4.6300   -0.6600    0.0000 C   0  0
    5.2400    0.7200    0.0000 C   0  0
    4.6300    1.9300    0.0000 C   0  0
    3.1900    2.3600    0.0000 C   0  0
    6.7406    0.8138    0.0000 C   0  0
    7.5706   -0.4356    0.0000 O   0  0
    7.4084    2.1579    0.0000 O   0  0
    8.9054    2.2524    0.0000 C   0  0
    0.6493    0.7959    0.0000 C   0  0
   -0.6737    0.0889    0.0000 O   0  0
    0.6980    2.2959    0.0000 O   0  0
   -0.5754    3.0886    0.0000 C   0  0
   -1.9757    5.3277    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  6
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  1
 14 15  1  0
 16 15  1  1
 16  8  1  0
 16 17  1  0
 17 13  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  3
 21 22  1  0
 22 13  1  0
 20 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 17 27  1  1
 27 28  2  0
 27 29  1  0
 29 30  1  0
  4 31  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13613

> <plate>
PLATE 001

> <well>
F3

> <supplier_cmpd_name>
Pseudolaric Acid B

> <ctcr_id>
11460

> <supplier_cmpd_id>
T1922

> <smiles>
O=C(O)/C(=C/C=C/[C@@]1(C)OC(=O)[C@@]23CC[C@@H]1[C@]2(CCC(=CC3)C(=O)OC)C(=O)OC)/C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"HSDB 8110",ZINC33953227,AKOS015897130,AC-6065,AC6065,3B1-008274,3B1008274,T1922,"Pseudolaric Acid B"}

> <pdid>
PD098564

> <targets>
{p38,Apoptosis,Autophagy,Ferroptosis,Fungal,HBV}

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

> <pubchem_cids>
{6436202}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 29 30  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 Cl  0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 S   0  0
   -5.2003    1.4932    0.0000 N   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    0.7387    0.0000 C   0  0
  -10.3984    1.4886    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
   -9.0995    3.7387    0.0000 C   0  0
   -7.8004    2.9887    0.0000 C   0  0
   -6.5022    3.7419    0.0000 N   0  3
   -6.5045    5.2419    0.0000 O   0  0
   -5.2019    2.9942    0.0000 O   0  5
  -11.6983    3.7390    0.0000 C   0  0
  -12.9978    2.9898    0.0000 F   0  0
  -11.6978    5.2390    0.0000 F   0  0
  -12.9970    4.4896    0.0000 F   0  0
   -9.1025   -0.7622    0.0000 N   0  3
  -10.4026   -1.5103    0.0000 O   0  0
   -7.8048   -1.5144    0.0000 O   0  5
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 15 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 13 25  1  0
 25 26  2  0
 25 27  1  0
  6 28  1  0
 28 29  2  0
 29  2  1  0
M  CHG  4  18   1  20  -1  25   1  27  -1
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13614

> <plate>
PLATE 001

> <well>
F4

> <supplier_cmpd_name>
Kobe0065

> <ctcr_id>
11465

> <supplier_cmpd_id>
T1876

> <smiles>
Cc1c(Cl)cc(NC(=S)NNc2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Kobe0065,436133-68-5,436133685,"Kobe 0065",Kobe-0065,C15H11ClF3N5O4S,Kabe-0065,Kabe0065,SCHEMBL15443888,AOB4259,EX-A370,EXA370,"Kobe 0065; Kobe-0065","Kobe 0065; Kobe0065",SYN5190,BCP28010,3766AH,MFC
D04109603,s8303,ZINC12339777,AKOS025405248,CCG-269230,CCG269230,MCULE-1454225223,MCULE1454225223,AK175816,AS-16550,AS16550,DA-334,DA334,T1876}

> <pdid>
PD012541

> <targets>
{Ras-Raf}

> <classes>
{MAPK}

> <pubchem_cids>
{3827663}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
    7.7884    1.5181    0.0000 F   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1047   -0.0031    0.0000 N   0  0
   -5.8532   -1.3040    0.0000 C   0  0
   -5.1009   -2.6017    0.0000 O   0  0
   -7.3541   -1.3071    0.0000 C   0  0
   -8.5617   -2.0571    0.0000 C   0  0
   -8.5617   -0.5571    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
    0.0000   -4.5008    0.0000 N   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    5.1821    3.0099    0.0000 N   0  0
    3.8787    3.7539    0.0000 C   0  0
    2.5835    2.9972    0.0000 O   0  0
    3.8704    5.2547    0.0000 C   0  0
    2.5670    5.9988    0.0000 C   0  0
    2.5565    7.4988    0.0000 C   0  0
    1.2523    8.2398    0.0000 C   0  0
   -0.0415    7.4808    0.0000 C   0  0
   -0.0311    5.9809    0.0000 C   0  0
    1.2731    5.2399    0.0000 C   0  0
   -1.3257    5.2215    0.0000 C   0  0
   -2.6303    5.9616    0.0000 F   0  0
   -1.3148    3.7215    0.0000 F   0  0
   -2.6191    4.4619    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 16  1  0
 12 19  1  0
 19 20  1  0
 20 10  1  0
 20 21  2  0
 21  7  1  0
 21 22  1  0
 22 23  3  0
  5 24  1  0
 24 25  2  0
 25  2  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 36 39  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13615

> <plate>
PLATE 001

> <well>
F5

> <supplier_cmpd_name>
TAK632

> <ctcr_id>
4647

> <supplier_cmpd_id>
T1886

> <smiles>
Fc1ccc(Oc2ccc3nc(NC(=O)C4CC4)sc3c2C#N)cc1NC(=O)Cc5cccc(c5)C(F)(F)F

> <pd_targets>
{TEK,PDGFB,AURKB,MAPK14,CCNB1,CDK1,PDGFRB,RIPK1,BRAF,RAF1,CHEK1,IKBKB,FGFR3,RIPK3,PDGFA,CCNA2,CDK2,KDR,GSK3B,MAP2K1}

> <pathway_gtopdb>
{Enzyme,"Secreted protein",Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","CMGC protein kinase group","TKL protein kinase group","CAMK protein kinase group","STE protei
n kinase group","Tyrosine protein kinase Tie family","Other protein kinase AUR family","CMGC protein kinase MAPK family","CMGC protein kinase CDK family","Tyrosine protein kinase PDGFR family","TKL pr
otein kinase RIPK family","TKL protein kinase RAF family","CAMK protein kinase CAMK1 family","Other protein kinase IKK family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase VEGFR fami
ly","CMGC protein kinase GSK family","STE protein kinase STE7 family","CMGC protein kinase p38 subfamily","CMGC protein kinase CDC2 subfamily","CAMK protein kinase CHK1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs o
f yeast Sterile 7","Sterile 11","Sterile 20 kinases","TK: Tyrosine kinase","Other protein kinases","Mitogen-activated protein kinases (MAP kinases)","TKL: Tyrosine kinase-like","CAMK-like (CAMKL) fami
ly","Glycogen synthase kinase (GSK) family","STE7 family","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) family","p38 subfamily","Receptor interacting protein kinase (RIPK) family","RAF famil
y","CHK1 subfamily","IKK family","GSK subfamily","Type XII RTKs: TIE family of angiopoietin receptors","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type V RTKs: FGF (fibroblast growth facto
r) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Cell Cycle","Immune System","DNA Repair",Disease,"MAPK family signaling cascades","Intracellular signaling by second messengers",Mitotic,"Innate Immune System","Signaling by Re
ceptor Tyrosine Kinases","DNA Double-Strand Break Repair","Diseases of signal transduction by growth factor receptors and second messengers","Infectious disease","MAPK1/MAPK3 signaling","PIP3 activate
s AKT signaling","M Phase","Toll-like Receptor Cascades","Signaling by NTRKs","Homology Directed Repair","Signaling by FGFR in disease","Signaling by VEGF","SARS-CoV Infections","RAF/MAP kinase cascad
e","Negative regulation of the PI3K/AKT network","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Toll Like Receptor 4 (TLR4) Cascade","Signaling by NTRK1 (TRKA)","HDR through H
omologous Recombination (HRR) or Single Strand Annealing (SSA)","Signaling by FGFR3 in disease","VEGFA-VEGFR2 Pathway","SARS-CoV-1 Infection",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Mitotic 
Anaphase","MyD88 cascade initiated on plasma membrane","MyD88-independent TLR4 cascade","Signalling to ERKs","Negative regulation of MAPK pathway","HDR through Homologous Recombination (HRR)","Signali
ng by FGFR3 point mutants in cancer","VEGFR2 mediated cell proliferation","SARS-CoV-1 Genome Replication and Transcription","Separation of Sister Chromatids","MAP kinase activation","TRIF(TICAM1)-medi
ated TLR4 signaling","Prolonged ERK activation events","Negative feedback regulation of MAPK pathway","Homologous DNA Pairing and Strand Exchange","FGFR3 mutant receptor activation","Replication of th
e SARS-CoV-1 genome","MAPK targets/ Nuclear events mediated by MAP kinases","IKK complex recruitment mediated by RIP1","ARMS-mediated activation","Presynaptic phase of homologous DNA pairing and stran
d exchange","Signaling by activated point mutants of FGFR3","Frs2-mediated activation","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{BRAF}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{TAK-632,TAK632,1228591-30-7,1228591307,C27H18F4N4O3S,4ksp,1SU,SCHEMBL823682,CHEMBL3125890,BDBM99471,GTPL10387,EX-A242,EXA242,SYN1203,"TAK 632",CHEBI:167673,HMS3653M08,HMS3673M07,AOB87729,BCP08426,"TA
K 632; TAK 632",2742AH,MFCD26960965,NSC778809,s7291,ZINC68208189,AKO,T1886,S7291}

> <pdid>
PD010363

> <targets>
{Raf,Aurora Kinase}

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

> <pubchem_cids>
{46209401}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
    3.9254   -5.8780    0.0000 C   0  0
    4.8082   -4.6653    0.0000 C   0  0
    6.2998   -4.8240    0.0000 C   0  0
    5.4168   -6.0363    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 N   0  0
   -3.8990   -0.7455    0.0000 S   0  0
   -3.8964    0.7545    0.0000 O   0  0
   -2.5988    0.0025    0.0000 O   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -5.2034   -2.9932    0.0000 C   0  0
   -3.9059   -3.7459    0.0000 F   0  0
   -6.5040   -3.7406    0.0000 C   0  0
   -7.8015   -2.9879    0.0000 C   0  0
   -7.7984   -1.4879    0.0000 C   0  0
   -6.4978   -0.7406    0.0000 C   0  0
   -6.4947    0.7594    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 F   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 S   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 N   0  0
    6.1382    2.3782    0.0000 C   0  0
    7.5955    2.7333    0.0000 N   0  0
    5.7171    0.9385    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  2  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 17  1  0
 23 24  1  0
 12 25  2  0
 25  8  1  0
 25 26  1  0
  7 27  2  0
 27 28  1  0
 28  5  1  0
 27 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 35 29  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13616

> <plate>
PLATE 001

> <well>
F6

> <supplier_cmpd_name>
Dabrafenib

> <ctcr_id>
6573

> <supplier_cmpd_id>
T1903

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

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

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

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

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

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

> <broad_moa>
{"RAF inhibitor"}

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

> <pdid>
PD003542

> <targets>
{Raf}

> <classes>
{MAPK}

> <pubchem_cids>
{44462760}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 28 29  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  5
    2.6003   -1.4977    0.0000 N   0  3
    3.8983   -0.7459    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 N   0  0
    1.3070   -5.2502    0.0000 C   0  0
    0.0093   -6.0025    0.0000 S   0  0
    2.6078   -5.9988    0.0000 N   0  0
    2.6109   -7.4996    0.0000 C   0  0
    3.9100   -8.2497    0.0000 C   0  0
    3.9100   -9.7497    0.0000 C   0  0
    2.6110  -10.4997    0.0000 C   0  0
    2.6110  -11.9997    0.0000 F   0  0
    1.3119   -9.7497    0.0000 C   0  0
    1.3119   -8.2497    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 N   0  3
   -3.8983   -0.7459    0.0000 O   0  0
   -2.6029   -2.9978    0.0000 O   0  5
    0.0000    3.0008    0.0000 C   0  0
    1.2985    3.7517    0.0000 F   0  0
   -1.2993    3.7504    0.0000 F   0  0
   -0.0007    4.5008    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
  8 22  1  0
 22 23  2  0
 22 24  1  0
  6 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
M  CHG  4   1  -1   2   1  22   1  24  -1
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13617

> <plate>
PLATE 001

> <well>
F7

> <supplier_cmpd_name>
Kobe2602

> <ctcr_id>
11466

> <supplier_cmpd_id>
T1892

> <smiles>
[O-][N+](=O)c1cc(cc(c1NNC(=S)Nc1ccc(F)cc1)[N+](=O)[O-])C(F)(F)F

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{kobe2602,454453-49-7,454453497,kobe-2602,"1-(2,6-dinitro-4-(trifluoromethyl)anilino)-3-(4-fluorophenyl)thiourea","1(2,6dinitro4(trifluoromethyl)anilino)3(4fluorophenyl)thiourea","3-((2,6-dinitro-4-(t
rifluoromethyl)phenyl)amino)-1-(4-fluorophenyl)thiourea","3((2,6dinitro4(trifluoromethyl)phenyl)amino)1(4fluorophenyl)thiourea","Kobe 2602",SCHEMBL15443887,AOB4258,EX-A369,EXA369,BCP09425,MFCD04109605
,T1892,Kobe2602}

> <pdid>
PD012540

> <targets>
{Ras-Raf}

> <classes>
{MAPK}

> <pubchem_cids>
{3827738}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 29 29  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.5993    0.0004    0.0000 O   0  0
   10.2954    2.2466    0.0000 N   0  0
   10.2980    0.7466    0.0000 C   0  0
    8.9994   -0.0057    0.0000 S   0  0
    7.6981    0.7421    0.0000 C   0  0
    7.6981    2.2421    0.0000 C   0  0
    6.3990    2.9921    0.0000 C   0  0
    5.1000    2.2421    0.0000 C   0  0
    5.1000    0.7421    0.0000 C   0  0
    6.3990   -0.0079    0.0000 C   0  0
    6.3990   -1.5079    0.0000 N   0  0
   11.5993   -0.0011    0.0000 C   0  0
   11.6020   -1.5020    0.0000 C   0  0
   11.6046   -3.0020    0.0000 N   0  0
   12.8980    0.7511    0.0000 C   0  0
   12.8954    2.2520    0.0000 C   0  0
   12.8928    3.7520    0.0000 N   0  0
   14.1993    0.0034    0.0000 C   0  0
   14.2019   -1.4966    0.0000 N   0  0
   15.4980    0.7557    0.0000 S   0  0
   16.7993    0.0079    0.0000 C   0  0
   16.7994   -1.4921    0.0000 C   0  0
   18.0985   -2.2421    0.0000 C   0  0
   19.3975   -1.4921    0.0000 C   0  0
   19.3974    0.0079    0.0000 C   0  0
   18.0984    0.7579    0.0000 C   0  0
   18.0984    2.2579    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
  5 14  2  3
 14 15  1  0
 15 16  3  0
 14 17  1  0
 17 18  1  0
 18 19  3  0
 17 20  2  3
 20 21  1  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13618

> <plate>
PLATE 001

> <well>
F8

> <supplier_cmpd_name>
U0126-EtOH

> <ctcr_id>
6954

> <supplier_cmpd_id>
T6223

> <smiles>
CCO.NC(Sc1ccccc1N)=C(C#N)C(C#N)=C(N)Sc2ccccc2N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{0126ETO,1173097-76-1,1173097761,"U0126 Ethanol",HMS3654G21,BCP05458,AK548481,T6223,S1102,U0126-EtOH}

> <pdid>
PD014850

> <targets>
{MEK}

> <classes>
{MAPK}

> <pubchem_cids>
{91997702}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 32 37  0  0  0  0            999 V2000
    6.4643   -9.7605    0.0000 C   0  0
    6.4719   -8.2606    0.0000 N   0  0
    7.7747   -7.5171    0.0000 C   0  0
    7.7822   -6.0171    0.0000 C   0  0
    6.4870   -5.2605    0.0000 N   0  0
    6.4915   -3.7597    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1884   -2.6409    0.0000 C   0  0
   -4.6234   -3.0602    0.0000 C   0  0
   -4.9781   -4.5176    0.0000 C   0  0
   -3.8933   -5.5536    0.0000 C   0  0
   -3.9374   -7.0521    0.0000 N   0  0
   -2.5250   -7.5572    0.0000 C   0  0
   -1.6082   -6.3700    0.0000 C   0  0
   -2.4537   -5.1320    0.0000 C   0  0
   -2.0990   -3.6745    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.1842   -6.0040    0.0000 C   0  0
    5.1766   -7.5040    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 23  1  0
 27 28  2  0
 28 20  1  0
 19 29  1  0
 29 16  1  0
 29 30  2  0
 30 13  1  0
  5 31  1  0
 31 32  1  0
 32  2  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13619

> <plate>
PLATE 001

> <well>
F9

> <supplier_cmpd_name>
URMC-099

> <ctcr_id>
11594

> <supplier_cmpd_id>
T6057

> <smiles>
CN1CCN(Cc2ccc(cc2)-c2cnc3[nH]cc(-c4ccc5[nH]ccc5c4)c3c2)CC1

> <pd_targets>
{MAP3K2,IGF1R,MAPK8,ROCK1,DLK1,MAP3K10,CDK1,SGK1,ROCK2,ABL1,CYP3A4,MAP3K9,MAPK14,NTRK2,FLT3,SYK,LCK,PRKAA1,PRKAA2,PRKAB1,PRKAB2,PRKAG1,PRKAG2,PRKAG3,AURKB,MAP3K11,FLT1,LRRK2,ZAP70,MAPK1,MET,AURKC,CHUK
,AURKA,SRC,INSR,DAPK3,CDK2,IKBKB,NTRK1,KCNH2,SRPK2,CDKL2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Ion channel",Kinase,"Cytochrome P450","Voltage-gated ion channel","Protein Kinase","Cytochrome P450 family 3","Potassium channels","STE protein kinase group","TK protei
n kinase group","CMGC protein kinase group","AGC protein kinase group","TKL protein kinase group","Cytochrome P450 family 3A","CAMK protein kinase group","Other protein kinase group","Voltage-gated po
tassium channel","STE protein kinase STE11 family","Tyrosine protein kinase InsR family","CMGC protein kinase MAPK family","AGC protein kinase DMPK family","TKL protein kinase MLK family","CMGC protei
n kinase CDK family","AGC protein kinase SGK family","Tyrosine protein kinase Abl family","Cytochrome P450 3A4","Tyrosine protein kinase Trk family","Tyrosine protein kinase PDGFR family","Tyrosine pr
otein kinase Syk family","Tyrosine protein kinase Src family","CAMK protein kinase CAMK1 family","Other protein kinase AUR family","Tyrosine protein kinase VEGFR family","TKL protein kinase LRRK famil
y","Tyrosine protein kinase Met family","Other protein kinase IKK family","CAMK protein kinase DAPK family","CMGC protein kinase SRPK family","CMGC protein kinase CDKL family","STE protein kinase MEKK
2","CMGC protein kinase JNK subfamily","AGC protein kinase ROCK subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase p38 subfamily","CAMK protein kin
ase AMPK subfamily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Ion channels","Kinases (EC 2.7.x.x)","Catalytic receptors","Cytochrome P450","Voltage-gated ion channels","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Rece
ptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","CYP3 family","CAMK: Calcium/calmodulin-dependent protein kinases","Potassium channels","STE11 fa
mily","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","DMPK family","TKL: Tyrosine kinase-like","Cyclin-dependent kinase (CDK) family","SGK family","Other protein kinases","Dea
th-associated kinase (DAPK) family","Voltage-gated potassium channels","SRPK family","Cyclin-dependent kinase-like (CDKL) family","Receptor tyrosine kinases (RTKs)","JNK subfamily","Rho kinase","Mixed
 Lineage Kinase (MLK) family","CDK1 subfamily","Non-receptor tyrosine kinases (nRTKs)","p38 subfamily","Aurora kinase (Aur) family","Leucine-rich repeat kinase (LRRK) family","ERK subfamily","IKK fami
ly","Type II RTKs: Insulin receptor family","MLK subfamily","Abl family","Type VII RTKs: Neurotrophin receptor/Trk family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Syk family","Src fami
ly","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Developmental Biology","Cell Cycle","Gene expression (Transcription)",Disease,Metabolism,"Programmed Cell Death","Muscle contraction","Signaling by Receptor Tyr
osine Kinases","Innate Immune System","Nervous system development","Signaling by NOTCH",Mitotic,"RNA Polymerase II Transcription","Infectious disease","Metabolism of lipids","Diseases of signal transd
uction by growth factor receptors and second messengers","Signaling by Non-Receptor Tyrosine Kinases","Adaptive Immune System","Intracellular signaling by second messengers",Apoptosis,"Cardiac conduct
ion","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Toll-like Receptor Cascades","Axon guidance","Signaling by NOTCH1","Regulation of mitotic cell cycle","Generic Transcription P
athway","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by NTRKs","Signaling by Insulin receptor","HIV Infection","M Phase","Oncogenic MAPK signaling","Si
gnaling by VEGF","Signaling by PTK6","TCR signaling","PIP3 activates AKT signaling","Caspase activation via extrinsic apoptotic signalling pathway","Phase 3 - rapid repolarisation","IGF1R signaling ca
scade","Toll Like Receptor 5 (TLR5) Cascade","Semaphorin interactions","Activated NOTCH1 Transmits Signal to the Nucleus","APC/C-mediated degradation of cell cycle proteins","Transcriptional Regulatio
n by TP53","Parasite infection","Biosynthesis of DHA-derived SPMs","Signaling by NTRK1 (TRKA)","Insulin receptor signalling cascade","Leishmania parasite growth and survival","Host Interactions of HIV
 factors","Mitotic Metaphase and Anaphase","Signaling by RAS mutants","VEGF ligand-receptor interactions","PTK6 promotes HIF1A stabilization","Generation of second messenger molecules","Toll Like Rece
ptor 4 (TLR4) Cascade","Negative regulation of the PI3K/AKT network","Caspase activation via Dependence Receptors in the absence of ligand","IRS-related events triggered by IGF1R","MyD88 cascade initi
ated on plasma membrane","Sema4D in semaphorin signaling","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity","Leishmania phagocytosis","Biosyn
thesis of maresins","Activation of TRKA receptors","IRS-mediated signalling","Anti-inflammatory response favouring Leishmania parasite infection","The role of Nef in HIV-1 replication and disease path
ogenesis","Mitotic Anaphase","Signaling downstream of RAS mutants","VEGF binds to VEGFR leading to receptor dimerization","MyD88-independent TLR4 cascade","Signalling to ERKs",PI5P,"PP2A and IER3 Regu
late PI3K/AKT Signaling","MAP kinase activation","Sema4D induced cell migration and growth-cone collapse","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Expression and Degr
adation","FCGR3A-mediated phagocytosis","Biosynthesis of maresin-like SPMs","NGF-independant TRKA activation","PI3K Cascade","FCGR3A-mediated IL10 synthesis","Nef-mediates down modulation of cell surf
ace receptors by recruiting them to clathrin adapters","Separation of Sister Chromatids","Sema4D mediated inhibition of cell attachment and migration","TRIF(TICAM1)-mediated TLR4 signaling","Regulatio
n of TP53 Activity through Phosphorylation","Signalling to RAS","Prolonged ERK activation events","MAPK targets/ Nuclear events mediated by MAP kinases","APC:Cdc20 mediated degradation of cell cycle p
roteins prior to satisfation of the cell cycle checkpoint","Regulation of TP53 Degradation","Nef Mediated CD4 Down-regulation","IKK complex recruitment mediated by RIP1","p38MAPK events","ARMS-mediate
d activation","Activation of the AP-1 family of transcription factors","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CDKL2,DAPK3,FLT3,LRRK2,MAP3K10,MAP3K11,MAP3K2,MAP3K9,SRPK2}

> <broad_moa>
{"mixed lineage kinase inhibitor"}

> <synonyms>
{RMC09,HMS3674I17,BCP11155,URMC-099,URMC099,1229582-33-5,1229582335,CHEMBL2436978,C27H27N5,"compound 1 (PMID 24044867)",SCHEMBL722076,GTPL8106,"URMC 099;URMC099",SYN1211,EX-A1276,EXA1276,BDBM50441567,
MFCD28168077,s7343,ZINC68243575,CCG-268902,CCG268902,NCGC00386408-03,NCGC0038640803,AC-33141,AC33141,AS-16339,AS16339,DA-,DA,T6057}

> <pdid>
PD003213

> <targets>
{LRRK2,"Aurora A","Aurora B","Aurora C",Abl1,CDK1,CDK2,c-Met,DLK,IGF-1R,"Insulin Receptor",MEKK2,MLK1,MLK2,MLK3,ROCK1,ROCK2,SGK,SGK1,Lck,Syk,TrkA,TrkB,VEGFR1/FLT1,Autophagy,"Mixed Lineage Kinase"}

> <classes>
{Cell Cycle/Checkpoint,Angiogenesis,Autophagy,DNA Damage/DNA Repair,MAPK,Metabolism,Tyrosine Kinase/AdaptorsChromatin/EpigeneticCytoskeletal SignalingStem Cells,MAPK/ERK Pathway}

> <pubchem_cids>
{54764565}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 C   0  0
    2.5973   -1.5031    0.0000 S   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.7390    2.9810    0.0000 N   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.8193    4.6606    0.0000 C   0  0
   -4.0353    5.9336    0.0000 C   0  0
   -4.7489    7.2530    0.0000 C   0  0
   -6.2483    7.2947    0.0000 C   0  0
   -6.9619    8.6141    0.0000 F   0  0
   -7.0341    6.0170    0.0000 C   0  0
   -6.3205    4.6976    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 N   0  0
   -6.4469    1.8311    0.0000 C   0  0
   -7.4153    2.9701    0.0000 C   0  0
   -8.8906    2.6991    0.0000 C   0  0
   -9.3937    1.2860    0.0000 N   0  0
   -8.4213    0.1438    0.0000 C   0  0
   -6.9460    0.4147    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
 12 20  2  0
 20 21  1  0
 21 10  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13620

> <plate>
PLATE 001

> <well>
F10

> <supplier_cmpd_name>
SB203580

> <ctcr_id>
4877

> <supplier_cmpd_id>
T1764

> <smiles>
C[S](=O)c1ccc(cc1)c2[nH]c(c3ccc(F)cc3)c(n2)c4ccncc4

> <pd_targets>
{TNNI3K,GSK3B,RPS6KA6,MAPK14,MAPK11,MAPK12,MAPK13,TGFBR1,ACVR1B,LCK,TYK2,NLK,KMT2A,MEN1,HSD17B10,CSNK1A1,RAF1,MAPK9,EGFR,CYP2D6,TTK,RIPK2,GAK,CSNK1D,BRAF,MAP2K1,MAP2K2,CYP1A2,CYP3A4,HTR4,FRK,MAPK10,ST
K36,PTK6,SLK,TNIK,CDC42BPG,CDPK1,TXK,CDC42BPB,MAPK-1,RPS6KA1,EPHA6,SRC,MAPK1,STK32B,LEF,ERBB4,ALDH1A1,EPHB2,CSNK1E,PRKCA,PRKCB,PRKCD,PRKCE,PRKCG,PRKCH,PRKCI,PRKCQ,PRKCZ,PRKD1,PRKD3,CYP2C9,CYP2C19,MAPK
8,MAP4K4,MET,CIT,COQ8B,TGFBR2,PTGS1,ABL1,SIK2,KDM4E,SIK3,STK32A,ALOX5,TEK,DDR2,P2RX7,DDR1,ALOX15,HPGD,MAP2K5,FLT4,MAP3K20,CSNK1A1L,CDC42BPA,GCGR,PRKACA,PRKACB,PRKACG,TSHR,MINK1,BMPR1B,PIP5K1C,PRKD2,EP
HB6,TBXAS1,PDE5A,ADORA1,ADORA2A,CHRM1,ERBB2,TYR}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Ion channel","Unclassified protein",Kinase,Reader,Oxidoreductase,"Cytochrome P450","Family A G protein-coupled receptor",Protease,Eraser,"Ligand-gat
ed ion channel","Family B G protein-coupled receptor",Transferase,Phosphodiesterase,"Protein Kinase",Bromodomain,"Cytochrome P450 family 2","Cytochrome P450 family 1","Cytochrome P450 family 3","Small
 molecule receptor (family A GPCR)","Metallo protease","Lysine demethylase","P2X receptor","Peptide receptor (family B GPCR)","Peptide receptor (family A GPCR)","Cytochrome P450 family 5","Phosphodies
terase 5","TKL protein kinase group","CMGC protein kinase group","AGC protein kinase group","TK protein kinase group","CK1 protein kinase group","Cytochrome P450 family 2D","Other protein kinase group
","STE protein kinase group","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Monoamine receptor","Metallo protease MAE clan","Cytochrome P450 family 2C","Atypical protein kinase group","CAMK 
protein kinase group","Jumonji domain-containing","Glucagon-like receptor","Glycohormone receptor","Cytochrome P450 family 5A","Phosphodiesterase 5A","Nucleotide-like receptor (family A GPCR)","TKL pr
otein kinase MLK family","CMGC protein kinase GSK family","AGC protein kinase RSK family","CMGC protein kinase MAPK family","TKL protein kinase STKR family","Tyrosine protein kinase Src family","Tyros
ine protein kinase JakA family","CK1 protein kinase CK1 family","TKL protein kinase RAF family","Tyrosine protein kinase EGFR family","Cytochrome P450 2D6","Other protein kinase TTK family","TKL prote
in kinase RIPK family","Other protein kinase NAK family","STE protein kinase STE7 family","Cytochrome P450 1A1","Cytochrome P450 3A4","Serotonin receptor","Other protein kinase ULK family","STE protei
n kinase STE20 family","AGC protein kinase DMPK family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Eph family","AGC protein kinase YANK family","Metallo protease M34 family","AGC pr
otein kinase PKC family","Cytochrome P450 2C9","Cytochrome P450 2C19","Tyrosine protein kinase Met family","Atypical protein kinase ABC1 family","Tyrosine protein kinase Abl family","CAMK protein kina
se CAMK1 family","Tyrosine protein kinase Tie family","Tyrosine protein kinase DDR family","Tyrosine protein kinase VEGFR family","Glucagon receptor","AGC protein kinase PKA family","CAMK protein kina
se PKD family","Cytochrome P450 5A1","Adenosine receptor","Acetylcholine receptor","TKL protein kinase HH498 subfamily","AGC protein kinase RSK subfamily","CMGC protein kinase p38 subfamily","TKL prot
ein kinase STKR Type 1 subfamily","CMGC protein kinase nmo subfamily","CMGC protein kinase JNK subfamily","STE protein kinase SLK subfamily","STE protein kinase MSN subfamily","AGC protein kinase GEK 
subfamily","CMGC protein kinase ERK1","AGC protein kinase PKC alpha subfamily","AGC protein kinase CRIK subfamily","Atypical protein kinase ABC1-A subfamily","TKL protein kinase STKR Type 2 subfamily"
,"CAMK protein kinase QIK subfamily","TKL protein kinase MLK subfamily","CK1 protein kinase CK1-a"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Catalytic receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","G protein-coupled receptors","Eicosanoid turnover","Chromatin modifying enzymes","Ligand-gated ion cha
nnels","Cyclic nucleotide turnover/signalling","1.-.-.- Oxidoreductases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase
 1","CYP2 family: drug metabolising subset","CYP1 family","CYP3 family","5-Hydroxytryptamine receptors","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",Atypical,Cyclooxygenase,"CA
MK: Calcium/calmodulin-dependent protein kinases","1.14.11.- Histone demethylases",Lipoxygenases,"P2X receptors","Prostaglandin synthases","Glucagon receptor family","Glycoprotein hormone receptors","
Lipid modifying kinases",CYP5,"CYP7 and CYP8 families",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)","Adenosine receptors","Acetylcholine receptors (muscarinic)","TKL: Tyrosine kinase-like","Gly
cogen synthase kinase (GSK) family","RSK family","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","Casein kinase 1 (CK1) family","Other protein kinases","STE20 family","DMPK fam
ily","YANK family","STE7 family","ABC1 family","CAMK-like (CAMKL) family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","Protein kinase D (PKD) family","Mixed Lineage Kinas
e (MLK) family","GSK subfamily","RSK subfamily","p38 subfamily","Receptor serine/threonine kinase (RSTK) family","Non-receptor tyrosine kinases (nRTKs)","nmo subfamily","RAF family","JNK subfamily","R
eceptor tyrosine kinases (RTKs)","TTK family","Receptor interacting protein kinase (RIPK) family","Numb-associated kinase (NAK) family","Unc-51-like kinase (ULK) family","SLK subfamily","MSN subfamily
","GEK subfamily","ERK subfamily","Other DMPK family kinases","ABC1-B subfamily","QIK subfamily","HH498 subfamily","Type I receptor serine/threonine kinases","Src family","Janus kinase (JakA) family",
"Type I RTKs: ErbB (epidermal growth factor) receptor family","Tec family","Type XIII RTKs: Ephrin receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type II receptor seri
ne/threonine kinases","Abl family","Type XII RTKs: TIE family of angiopoietin receptors","Type XVI RTKs: DDR (collagen receptor) family","Type IV RTKs: VEGF (vascular endothelial growth factor) recept
or family","MLK subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Immune System","Developmental Biology","Signal Transduction",Metabolism,"Vesicle-mediated transport","Cell Cycle","Cellular responses to external stimuli","Extracellular ma
trix organization",Hemostasis,"Infectious disease","Transmission across Chemical Synapses","Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Si
gnaling by NODAL","Cytokine Signaling in Immune system","Signaling by WNT","Metabolism of amino acids and derivatives","MAPK family signaling cascades","Signaling by GPCR","Biological oxidations","Sig
naling by Receptor Tyrosine Kinases","Membrane Trafficking",Mitotic,"Metabolism of lipids","Intracellular signaling by second messengers","Cellular responses to stress","Nervous system development","S
ignaling by Rho GTPases","Non-integrin membrane-ECM interactions","Signaling by TGFB family members","Platelet homeostasis","SARS-CoV Infections","Neurotransmitter receptors and postsynaptic signal tr
ansmission","Toll-like Receptor Cascades","Signaling by TGF-beta Receptor Complex in Cancer","Regulation of signaling by NODAL","HIV Infection","Interferon Signaling","Beta-catenin independent WNT sig
naling","Branched-chain amino acid catabolism","Signaling by WNT in cancer","MAPK1/MAPK3 signaling","GPCR downstream signalling","Phase I - Functionalization of compounds","Signaling by NTRKs","trans-
Golgi Network Vesicle Budding","Mitotic G2-G2/M phases","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania infection","PIP3 activates AKT signaling","Mitotic G1 phase and G1/S tra
nsition","Cellular Senescence","Fc epsilon receptor (FCERI) signaling","Axon guidance","Uptake and actions of bacterial toxins","RHO GTPase Effectors","Fatty acid metabolism","Signaling by VEGF","Sign
aling by BMP","Sphingolipid metabolism","Nitric oxide stimulates guanylate cyclase","GPCR ligand binding","Melanin biosynthesis","SARS-CoV-1 Infection","Activation of NMDA receptors and postsynaptic e
vents","Toll Like Receptor 5 (TLR5) Cascade","Loss of Function of SMAD2/3 in Cancer","Host Interactions of HIV factors","Interferon alpha/beta signaling","Ca2+ pathway","Signaling by AMER1 mutants","R
AF/MAP kinase cascade","G alpha (q) signalling events","Cytochrome P450 - arranged by substrate type","Signaling by NTRK1 (TRKA)","Golgi Associated Vesicle Biogenesis","G2/M Transition","Biosynthesis 
of DHA-derived SPMs","Leishmania parasite growth and survival","PTEN Regulation","G1 Phase","Oxidative Stress Induced Senescence","FCERI mediated Ca+2 mobilization","EPH-Ephrin signaling","Uptake and 
function of anthrax toxins","Ethanol oxidation","Semaphorin interactions","RHO GTPases activate CIT","Arachidonic acid metabolism","Parasite infection","Biosynthesis of DPA-derived SPMs","Cell recruit
ment (pro-inflammatory response)","VEGF ligand-receptor interactions","Sphingolipid de novo biosynthesis","cGMP effects","Class A/1 (Rhodopsin-like receptors)","SARS-CoV-1 Genome Replication and Trans
cription","Post NMDA receptor activation events","MyD88 cascade initiated on plasma membrane","SMAD2/3 Phosphorylation Motif Mutants in Cancer","The role of Nef in HIV-1 replication and disease pathog
enesis","Regulation of IFNA signaling","Truncations of AMER1 destabilize the destruction complex","Negative regulation of MAPK pathway","Gastrin-CREB signalling pathway via PKC and MAPK",Xenobiotics,"
Signalling to ERKs","Centrosome maturation","Biosynthesis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of PTEN stability and activity","Cyclin D associ
ated events in G1","EPHA-mediated growth cone collapse","EPHB-mediated forward signaling","Sema4D in semaphorin signaling","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Leishmania phagocyt
osis","Biosynthesis of DPAn-3 SPMs","Purinergic signaling in leishmaniasis infection","Biosynthesis of D-series resolvins","Signalling to ERK5","VEGF binds to VEGFR leading to receptor dimerization","
SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion",Eicosanoids,"Nucleotide-like (purinergic) receptors","Amine ligand-binding receptors","Replication of the SARS-CoV-1 genome","CREB1 p
hosphorylation through NMDA receptor-mediated activation of RAS signaling","MAP kinase activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Neg
ative feedback regulation of MAPK pathway","EGFR Transactivation by Gastrin","CYP2E1 reactions","Signalling to RAS","Loss of proteins required for interphase microtubule organization from the centroso
me","Prolonged ERK activation events","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-inflammatory cytokines production","
Long-term potentiation","Sema4D mediated inhibition of cell attachment and migration","FCGR3A-mediated phagocytosis","Biosynthesis of DPAn-3-derived 13-series resolvins","Biosynthesis of DPAn-3-derive
d protectins and resolvins","Adenosine P1 receptors","Muscarinic acetylcholine receptors","Sema4D induced cell migration and growth-cone collapse","RSK activation","MAPK targets/ Nuclear events mediat
ed by MAP kinases","Nef Mediated CD4 Down-regulation","p38MAPK events","activated TAK1 mediates p38 MAPK activation","Loss of Nlp from mitotic centrosomes","ARMS-mediated activation","Frs2-mediated ac
tivation","Activation of the AP-1 family of transcription factors","CREB phosphorylation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{AKT1,ALOX5,CHEK1,CYP2D6,CYP3A4,GAK,GSK3B,LCK,MAPK1,MAPK10,MAPK11,MAPK12,MAPK14,MAPK8,MAPK9,PRKCA,RAF1,RIPK2,ROCK1,RPS6KB1,SGK1,SRC,TNF}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{B20358,152121-47-6,152121476,"SB 203580",SB-203580,SB203580,4-(4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl)pyridine,4(4(4fluorophenyl)2(4methylsulfinylphenyl)1Himidazol5yl)pyridine
,4-(4-Fluorophenyl)-2-(4-methylsulfinylphenyl)-5-(4-pyridyl)-1H-imidazole,4(4Fluorophenyl)2(4methylsulfinylphenyl)5(4pyridyl)1Himidazole,"RWJ 64809",4-(4-Fluorophenyl)-2-(4-(methylsulfinyl)ph,4(4Fluor
ophenyl)2(4(methylsulfinyl)ph,"EMD 559389",S1076,EI-286,559389}

> <pdid>
PD004782

> <targets>
{"p38 MAPK","P38 MAPK"}

> <classes>
{}

> <pubchem_cids>
{176155}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 21 24  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.8823   -2.5608    0.0000 C   0  0
    4.5513   -4.0107    0.0000 C   0  0
    3.1755   -4.6084    0.0000 O   0  0
    5.8480   -4.7648    0.0000 N   0  0
    6.9651   -3.7649    0.0000 C   0  0
    8.4564   -3.9264    0.0000 C   0  0
    9.3418   -2.7156    0.0000 C   0  0
    8.7360   -1.3434    0.0000 C   0  0
    7.2447   -1.1820    0.0000 N   0  0
    6.3593   -2.3927    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  6  1  0
 15 10  1  0
  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  2  1  0
 21 16  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13621

> <plate>
PLATE 001

> <well>
F11

> <supplier_cmpd_name>
GW 441756

> <ctcr_id>
7732

> <supplier_cmpd_id>
T6052

> <smiles>
Cn1cc(\C=C2/C(=O)Nc3cccnc23)c4ccccc14

> <pd_targets>
{FLT4,STK17A,MAP3K20,IRAK1,NEK4,CLK4,CSNK1A1,MAPK9,AURKA,MINK1,NTRK1,IRAK4,CAMK2G,FFP,CHEK2,IGF1R,RET,KMT2A,MEN1,PRKD2,SGK2,MARK2,ALK,LCK,CDK5,CLK2,MAP4K4,PHKG2,PIM1,PIM3,DYRK1A,MAP4K2,CSNK1D,NTRK2,NT
RK3,PKN2,MAP4K5,MAPT,RPS6KA3,BRSK1,INSR,LYN,SYK,ROCK1,PRKAA1,ITK,KDR,CDK1,AURKB,HIPK2,HIPK4,NEK2,STK3,PRKD3,ROCK2,MARK3,FER,FRK,SRC,GSK3B,SLK,BLK,FGFR1,CDK2,CSNK2A1,RPS6KB1,CAMK2D}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Other cytosolic protein",Kinase,Transferase,Reader,"Protein Kinase",Bromodomain,"TK protein kinase group","CAMK protein kinase group","TKL protein kinase group","Other 
protein kinase group","CMGC protein kinase group","CK1 protein kinase group","STE protein kinase group","AGC protein kinase group","Tyrosine protein kinase VEGFR family","CAMK protein kinase DAPK fami
ly","TKL protein kinase MLK family","TKL protein kinase IRAK family","Other protein kinase NEK family","CMGC protein kinase CLK family","CK1 protein kinase CK1 family","CMGC protein kinase MAPK family
","Other protein kinase AUR family","STE protein kinase STE20 family","Tyrosine protein kinase Trk family","CAMK protein kinase CAMK2 family","CAMK protein kinase RAD53 family","Tyrosine protein kinas
e InsR family","Tyrosine protein kinase Ret family","CAMK protein kinase PKD family","AGC protein kinase SGK family","CAMK protein kinase CAMK1 family","TKL protein kinase STKR family","Tyrosine prote
in kinase Src family","CMGC protein kinase CDK family","CAMK protein kinase PHk family","CAMK protein kinase PIM family","CMGC protein kinase DYRK family","AGC protein kinase PKN family","AGC protein 
kinase RSK family","Tyrosine protein kinase Syk family","AGC protein kinase DMPK family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Fer family","CMGC protein kinase GSK family","Tyr
osine protein kinase FGFR family","Other protein kinase CK2 family","TKL protein kinase MLK subfamily","CMGC protein kinase JNK subfamily","STE protein kinase MSN subfamily","CAMK protein kinase MARK 
subfamily","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase CDK5 subfamily","CMGC protein kinase Dyrk1 subfamily","STE protein kinase KHS subfamily","AGC protein kinase RSK subfamily","
CAMK protein kinase BRSK subfamily","AGC protein kinase ROCK subfamily","CAMK protein kinase AMPK subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein kinase HIPK subfamily","STE protein kina
se MST subfamily","STE protein kinase SLK subfamily","AGC protein kinase p70 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","CK1: Casein kin
ase 1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","TK: Tyrosine kinase","Death-associated kinase (DAPK) family","TKL: Tyrosine kinase
-like","Other protein kinases","CLK family","Casein kinase 1 (CK1) family","Mitogen-activated protein kinases (MAP kinases)","STE20 family","CAMK2 family","CAMK-like (CAMKL) family","Protein kinase D 
(PKD) family","SGK family","Cyclin-dependent kinase (CDK) family","Phosphorylase kinase (PHK) family","PIM family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Prote
in kinase N (PKN) family","RSK family","DMPK family","Glycogen synthase kinase (GSK) family","Receptor tyrosine kinases (RTKs)","Mixed Lineage Kinase (MLK) family","Interleukin-1 receptor-associated k
inase (IRAK) family","NIMA (never in mitosis gene a)- related kinase (NEK) family","JNK subfamily","Aurora kinase (Aur) family","MSN subfamily","CHK1 subfamily","MARK subfamily","Non-receptor tyrosine
 kinases (nRTKs)","CDK5 subfamily","Dyrk1 subfamily","KHS subfamily","RSK subfamily","BRSK subfamily","Rho kinase","AMPK subfamily","CDK1 subfamily","HIPK subfamily","MST subfamily","GSK subfamily","S
LK subfamily","Casein kinase 2 (CK2) family","p70 subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","MLK subfamily","Type VII RTKs: Neurotrophin receptor/Trk family"
,"Type II RTKs: Insulin receptor family","Type XIV RTKs: RET","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Src family","Syk family","Tec family","Fer family","Type V RTKs: FGF (fi
broblast growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Immune System",Disease,"Gene expression (Transcription)","Cellular responses to external stimuli","Neuronal System","Developmental Biology",Metabolism,"Transport of small molec
ules","Cell Cycle","Signaling by Receptor Tyrosine Kinases","Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription",
"Cellular responses to stress","Transmission across Chemical Synapses","Nervous system development","Metabolism of lipids","Ion channel transport","Infectious disease","Metabolism of carbohydrates",Mi
totic,"Signaling by Rho GTPases","Intracellular signaling by second messengers","Adaptive Immune System","Signaling by Hippo","MTOR signalling","Signaling by VEGF","Toll-like Receptor Cascades","Signa
ling by WNT in cancer","Generic Transcription Pathway","Cellular Senescence","Signaling by NTRKs","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by Type 1 Insulin-like Gr
owth Factor 1 Receptor (IGF1R)","Axon guidance","Sphingolipid metabolism","Stimuli-sensing channels","HIV Infection","Glycogen metabolism","FLT3 signaling in disease","Mitotic G1 phase and G1/S transi
tion","Mitotic G2-G2/M phases","RHO GTPase Effectors","PIP3 activates AKT signaling","Leishmania infection","TCR signaling","Regulation of mitotic cell cycle","M Phase","Oncogenic MAPK signaling","Sig
naling by SCF-KIT","SARS-CoV Infections","Signaling by FGFR in disease","mTORC1-mediated signalling","VEGF ligand-receptor interactions","Toll Like Receptor 5 (TLR5) Cascade","Signaling by AMER1 mutan
ts","Transcriptional Regulation by TP53","Oxidative Stress Induced Senescence","Signaling by NTRK1 (TRKA)","Toll Like Receptor 2 (TLR2) Cascade","Activation of NMDA receptors and postsynaptic events",
"IGF1R signaling cascade","RET signaling","Sphingolipid de novo biosynthesis","Host Interactions of HIV factors","Glycogen breakdown (glycogenolysis)","Signaling by FLT3 ITD and TKD mutants","G0 and E
arly G1","G2/M Transition","Signaling by NTRK3 (TRKC)","RHO GTPases activate PKNs","Negative regulation of the PI3K/AKT network","Leishmania parasite growth and survival","Semaphorin interactions","Ge
neration of second messenger molecules","VEGFA-VEGFR2 Pathway","APC/C-mediated degradation of cell cycle proteins","Mitotic Metaphase and Anaphase","Signaling by RAS mutants","PTEN Regulation","SARS-C
oV-1 Infection","Transcriptional regulation by RUNX1","Signaling by FGFR1 in disease","VEGF binds to VEGFR leading to receptor dimerization","MyD88 cascade initiated on plasma membrane","Truncations o
f AMER1 destabilize the destruction complex","Regulation of TP53 Activity","Signalling to ERKs","Toll Like Receptor TLR6:TLR2 Cascade","Post NMDA receptor activation events","IRS-related events trigge
red by IGF1R","The role of Nef in HIV-1 replication and disease pathogenesis","STAT5 activation downstream of FLT3 ITD mutants","Centrosome maturation","Activation of TRKA receptors","Activated NTRK3 
signals through PI3K",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Anti-inflammatory response favouring Leishmania parasite infection","Sema4D in semaphorin signaling","VEGFR2 mediated cell proli
feration","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Mitotic Anaphase","Signaling downstream of RAS mutants","Regulation of PTEN stability and activity","SARS-CoV-
1 Genome Replication and Transcription","RUNX1 regulates transcription of genes involved in BCR signaling","FGFR1 mutant receptor activation","MAP kinase activation","Regulation of TP53 Activity throu
gh Phosphorylation","Prolonged ERK activation events","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Regula
tion of TP53 Expression and Degradation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Loss of proteins required for interphase microtubule organiza
tion from the centrosome","NGF-independant TRKA activation","Activation of AMPK downstream of NMDARs","FCGR3A-mediated IL10 synthesis","Sema4D induced cell migration and growth-cone collapse","APC/C:C
dc20 mediated degradation of mitotic proteins","Separation of Sister Chromatids","Signalling to RAS","Replication of the SARS-CoV-1 genome","Signaling by activated point mutants of FGFR1","activated T
AK1 mediates p38 MAPK activation","MAPK targets/ Nuclear events mediated by MAP kinases","ARMS-mediated activation","Ras activation upon Ca2+ influx through NMDA receptor","Regulation of TP53 Degradat
ion","Nef Mediated CD4 Down-regulation","Loss of Nlp from mitotic centrosomes","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","p38MAPK events
","Activation of the AP-1 family of transcription factors","CREB phosphorylation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","APC-Cdc20 mediated degradation of Nek2A"}

> <broad_targets>
{NTRK1}

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

> <synonyms>
{"GW 441756",504433-23-2,504433232,GW441756,GW-441756,CHEMBL176544,"(3Z)-3-((1-methylindol-3-yl)methylidene)-1H-pyrrolo(3,2-b)pyridin-2-one","(3Z)3((1methylindol3yl)methylidene)1Hpyrrolo(3,2b)pyridin2
one",C17H13N3O,QCR-77,QCR77,SCHEMBL5787769,CHEBI:92072,SYN1044,HMS3303P17,HMS3305D02,HMS3884D22,504433-24-3,504433243,EX-A1842,EXA1842,ZINC398,SY-GW441756}

> <pdid>
PD003852

> <targets>
{"Trk receptor"}

> <classes>
{}

> <pubchem_cids>
{9943465}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 34 37  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -5.2060    2.9909    0.0000 Cl  0  0
   -7.7884   -1.5181    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2122   -3.8625    0.0000 C   0  0
   -0.7464   -5.2884    0.0000 C   0  0
   -1.6226   -6.5037    0.0000 C   0  0
   -3.1149   -6.3519    0.0000 O   0  0
   -1.0080   -7.8729    0.0000 N   0  0
   -1.8857   -9.0903    0.0000 C   0  0  2  0  0  0
   -3.3785   -8.9354    0.0000 C   0  0
   -3.9912   -7.5662    0.0000 O   0  0
   -1.2711  -10.4596    0.0000 C   0  0
   -2.1465  -11.6776    0.0000 C   0  0
   -1.5295  -13.0448    0.0000 C   0  0
   -0.0369  -13.1940    0.0000 C   0  0
    0.8386  -11.9761    0.0000 C   0  0
    0.2215  -10.6089    0.0000 C   0  0
    2.3311  -12.1253    0.0000 Cl  0  0
    0.7536   -5.2860    0.0000 N   0  0
    1.2149   -3.8587    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 12 13  1  0
 10 14  1  0
  5 15  1  0
 15 16  2  0
 16  2  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 23 22  1  1
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 30 32  1  0
 19 33  1  0
 33 34  1  0
 34 17  2  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13622

> <plate>
PLATE 001

> <well>
G2

> <supplier_cmpd_name>
VX-11e

> <ctcr_id>
11476

> <supplier_cmpd_id>
T3166

> <smiles>
Cc1cnc(Nc2ccc(cc2Cl)F)nc1c1cc(C(=O)N[C@H](CO)c2cccc(c2)Cl)[nH]c1

> <pd_targets>
{CDK2,AURKA,MAPK1,FLT3,MAP3K7,MAPK10,ROCK1,MAPK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","Other protein kinase group","TK protein kinase group","TKL protein kinase group","AGC protein kinase group","CMGC protein kinase CDK family
","Other protein kinase AUR family","CMGC protein kinase MAPK family","Tyrosine protein kinase PDGFR family","TKL protein kinase MLK family","AGC protein kinase DMPK family","CMGC protein kinase CDC2 
subfamily","CMGC protein kinase ERK1","TKL protein kinase TAK1 subfamily","CMGC protein kinase JNK subfamily","AGC protein kinase ROCK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","Cyclin-dependent kinase (CD
K) family","Other protein kinases","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","DMPK family","CDK1 subfamily","Aurora kinase (Aur) family","ERK 
subfamily","Receptor tyrosine kinases (RTKs)","Mixed Lineage Kinase (MLK) family","JNK subfamily","Rho kinase","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","TAK1 subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","Signal Transduction","Developmental Biology","RNA Polymerase II Transcription","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Nerv
ous system development","Generic Transcription Pathway","Toll-like Receptor Cascades","Signaling by Insulin receptor","Axon guidance","Transcriptional Regulation by TP53","Toll Like Receptor 5 (TLR5) 
Cascade","Insulin receptor signalling cascade","Toll Like Receptor 4 (TLR4) Cascade","Semaphorin interactions","Regulation of TP53 Activity","MyD88 cascade initiated on plasma membrane","IRS-mediated 
signalling","MyD88-independent TLR4 cascade","Sema4D in semaphorin signaling","Regulation of TP53 Expression and Degradation","Regulation of TP53 Activity through Phosphorylation","MAP kinase activati
on","PI3K Cascade","TRIF(TICAM1)-mediated TLR4 signaling","Sema4D induced cell migration and growth-cone collapse","Regulation of TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinase
s","TRAF6-mediated induction of TAK1 complex within TLR4 complex","ERK/MAPK targets","Activation of the AP-1 family of transcription factors","ERKs are inactivated"}

> <broad_targets>
{MAPK1}

> <broad_moa>
{"MAP kinase inhibitor"}

> <synonyms>
{X11,VX-11e,VX11e,896720-20-0,896720200,VTX-11e,VTX11e,"VX 11e",NCGC00242487,Vertex-11e,Vertex11e,"TCS ERK 11e","pyrimidylpyrrole, 11e",C24H20Cl2FN5O2,CHEMBL583042,GTPL9375,SCHEMBL15859235,"VX-11e(TCS
 ERK 11e)","VX11e(TCS ERK 11e)",BDBM35657,CHEBI:95049,AOB6429,DTXSID00469774,EX-A1570,EXA1570,4157AH,s7709,ZINC3588,T3166}

> <pdid>
PD012648

> <targets>
{ERK,"Aurora A",CDK2,ERK2,FLT3,GSK-3}

> <classes>
{"Cell Cycle/Checkpoint","PI3K/Akt/mTOR signaling",Angiogenesis,MAPK,Chromatin/Epigenetic,"Stem Cells","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{11634725}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 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
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3092   -5.2494    0.0000 C   0  0
    2.6108   -5.9949    0.0000 C   0  0
    3.9073   -5.2404    0.0000 N   0  0
    3.9021   -3.7404    0.0000 C   0  0
    2.6004   -2.9949    0.0000 N   0  0
    5.1977   -2.9829    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
    3.8757    0.7590    0.0000 C   0  0
    3.8861   -0.7410    0.0000 C   0  0
    2.5716    1.5000    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -3.8983   -0.7459    0.0000 O   0  0
   -2.6029   -2.9978    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 19 21  1  0
  5 22  1  0
 22 23  2  0
 22 24  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13623

> <plate>
PLATE 001

> <well>
G3

> <supplier_cmpd_name>
DB07268

> <ctcr_id>
13465

> <supplier_cmpd_id>
T3200

> <smiles>
c1cccc(c1Nc1ccnc(n1)Nc1cccc(c1)O)C(=O)N

> <pd_targets>
{MAPK8,AKT1,CHEK1,PLK1,CSNK2A1,CSNK2A2,CSNK2B,PAK4,MAP2K1,CDK2,MAPK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","AGC protein kinase group","CAMK protein kinase group","Other protein kinase group","STE protein kinase group","CMGC protein kinase MAPK fam
ily","AGC protein kinase AKT family","CAMK protein kinase CAMK1 family","Other protein kinase PLK family","Other protein kinase CK2 family","STE protein kinase STE20 family","STE protein kinase STE7 f
amily","CMGC protein kinase CDK family","CMGC protein kinase JNK subfamily","CAMK protein kinase CHK1 subfamily","STE protein kinase PAKB subfamily","CMGC protein kinase CDC2 subfamily","CMGC protein 
kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kin
ases","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Mitogen-activated protein kinases (MAP kinases)","Akt (Protein kinase B","PKB) family","CAMK-like (CAMKL)
 family","Other protein kinases","STE20 family","STE7 family","Cyclin-dependent kinase (CDK) family","JNK subfamily","CHK1 subfamily","Polo-like kinase (PLK) family","PAKB subfamily","CDK1 subfamily",
"ERK subfamily"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)","DNA Repair","Cell Cycle","Developmental Biology","Signal Transduction","Innate Immune System","RNA Polymerase II Transcription","DNA Double-Strand B
reak Repair",Mitotic,"Nervous system development","Signaling by Receptor Tyrosine Kinases","Toll-like Receptor Cascades","Generic Transcription Pathway","Homology Directed Repair","Mitotic G2-G2/M pha
ses","Axon guidance","Signaling by NTRKs","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional Regulation by TP53","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","G2/M
 Transition","Signaling by ROBO receptors","Signaling by NTRK1 (TRKA)","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity","HDR through Homologous Recombination (HRR)","Centroso
me maturation","Activation of RAC1","Signalling to ERKs","MAP kinase activation","Regulation of TP53 Expression and Degradation","Homologous DNA Pairing and Strand Exchange","Loss of proteins required
 for interphase microtubule organization from the centrosome","Prolonged ERK activation events","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Presynaptic pha
se of homologous DNA pairing and strand exchange","Loss of Nlp from mitotic centrosomes","Frs2-mediated activation","Activation of the AP-1 family of transcription factors","ERK/MAPK targets","ERKs ar
e inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{DB07268,929007-72-7,929007727,DB-07268,2-((2-((3-HYDROXYPHENYL)AMINO)PYRIMIDIN-4-YL)AMINO)BENZAMIDE,2((2((3HYDROXYPHENYL)AMINO)PYRIMIDIN4YL)AMINO)BENZAMIDE,2-((2-((3-Hydroxyphenyl)amino)pyrimidin-4-y
l)amino)benzamide,2((2((3Hydroxyphenyl)amino)pyrimidin4yl)amino)benzamide,UNII-MU563H6ION,UNIIMU563H6ION,MU563H6ION,CHEBI:40332,4-(2-carbamoylanilino)-2-(3-hydroxyanilino)pyrimidine,4(2carbamoylanilin
o)2(3hydroxyanilino)pyrimidine,2-(,2(,T3200}

> <pdid>
PD005400

> <targets>
{JNK1}

> <classes>
{MAPK}

> <pubchem_cids>
{16058637}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 31 34  0  0  1  0            999 V2000
    5.2311   -3.4009    0.0000 C   0  0
    3.8056   -3.8679    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.3786   -3.8595    0.0000 C   0  0
    1.8372   -5.2877    0.0000 C   0  0
    3.3372   -5.2929    0.0000 N   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -6.4971   -0.7566    0.0000 O   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
   -6.4915   -3.7597    0.0000 C   0  0  2  0  0  0
   -7.7922   -3.0110    0.0000 C   0  0
   -7.7951   -1.5110    0.0000 O   0  0
   -6.4870   -5.2605    0.0000 C   0  0
   -7.7822   -6.0172    0.0000 C   0  0
   -7.7746   -7.5172    0.0000 C   0  0
   -6.4718   -8.2606    0.0000 C   0  0
   -5.1766   -7.5040    0.0000 C   0  0
   -5.1842   -6.0041    0.0000 C   0  0
   -6.4643   -9.7606    0.0000 Cl  0  0
   -9.0699   -8.2737    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  3  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 14  1  0
 18 21  1  0
 21 22  1  1
 22 23  1  0
 21 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 27 30  1  0
 26 31  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13624

> <plate>
PLATE 001

> <well>
G4

> <supplier_cmpd_name>
Ravoxertinib

> <ctcr_id>
12495

> <supplier_cmpd_id>
T6511

> <smiles>
Cn1c(ccn1)Nc1nccc(n1)c1cc(=O)n(cc1)[C@H](CO)c1cc(c(cc1)Cl)F

> <pd_targets>
{MAPK1,MAPK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

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

> <pathway_reactome>
{"Immune System","Innate Immune System","Toll-like Receptor Cascades","Toll Like Receptor 5 (TLR5) Cascade","MyD88 cascade initiated on plasma membrane","MAP kinase activation","MAPK targets/ Nuclear 
events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{MAPK1,MAPK3}

> <broad_moa>
{"ERK1 and ERK2 phosphorylation inhibitor"}

> <synonyms>
{Ravoxertinib,GDC-0994,GDC0994,1453848-26-4,1453848264,UNII-R6AXV96CRH,UNIIR6AXV96CRH,R6AXV96CRH,RG-7842,RG7842,6QB,"Ravoxertinib (INN)","Ravoxertinib (USAN)","Ravoxertinib (USAN/INN)","Ravoxertinib (
USAN:INN)",GTPL9229,CHEMBL3544964,SCHEMBL15245531,BDBM120095,AOB87103,BCP096,T6511}

> <pdid>
PD021570

> <targets>
{ERK,ERK1,ERK2}

> <classes>
{MAPK}

> <pubchem_cids>
{71727581}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 54 60  0  0  1  0            999 V2000
    6.4972   -0.7364    0.0000 C   0  0  1  0  0  0
    6.4920    0.7636    0.0000 C   0  0  1  0  0  0
    5.1903    1.5091    0.0000 C   0  0  2  0  0  0
    3.8939    0.7546    0.0000 C   0  0  1  0  0  0
    3.8990   -0.7455    0.0000 C   0  0  1  0  0  0
    5.2007   -1.4909    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    2.6015   -2.9986    0.0000 C   0  0  1  0  0  0
    3.9027   -3.7449    0.0000 C   0  0
    3.9070   -5.2449    0.0000 C   0  0
    2.6101   -5.9986    0.0000 C   0  0  1  0  0  0
    1.3089   -5.2523    0.0000 C   0  0  2  0  0  0
    1.3046   -3.7523    0.0000 C   0  0
    0.0259   -4.5364    0.0000 C   0  0
    1.3356   -2.2526    0.0000 C   0  0
    0.0120   -6.0060    0.0000 C   0  0
    0.0163   -7.5060    0.0000 C   0  0
    1.3175   -8.2523    0.0000 C   0  0  1  0  0  0
    1.3217   -9.7523    0.0000 C   0  0  2  0  0  0
    0.0248  -10.5060    0.0000 C   0  0
    0.0291  -12.0060    0.0000 C   0  0
    1.3303  -12.7522    0.0000 C   0  0  1  0  0  0
    1.3346  -14.2522    0.0000 C   0  0
    2.6357  -14.9985    0.0000 C   0  0
    3.9326  -14.2448    0.0000 C   0  0
    3.9283  -12.7448    0.0000 C   0  0
    2.6272  -11.9985    0.0000 C   0  0  1  0  0  0
    2.6229  -10.4985    0.0000 C   0  0
    3.9198   -9.7449    0.0000 C   0  0
    3.9155   -8.2449    0.0000 C   0  0
    2.6144   -7.4986    0.0000 C   0  0  2  0  0  0
    3.9015  -15.7445    0.0000 C   0  0
    5.2115  -13.4609    0.0000 C   0  0
    2.6322  -13.4989    0.0000 C   0  0
    3.4971  -12.9970    0.0000 O   0  0
    2.6347  -14.4989    0.0000 O   0  0
    0.4543   -9.2547    0.0000 C   0  0
    0.4529   -8.7547    0.0000 C   0  0
    3.9112   -6.7449    0.0000 C   0  0
    2.5923    1.5001    0.0000 O   0  0
    5.1882    3.0099    0.0000 O   0  0
    6.4865    3.7630    0.0000 C   0  0  2  0  0  0
    6.4865    5.2630    0.0000 C   0  0  2  0  0  0
    7.7856    6.0130    0.0000 C   0  0  1  0  0  0
    9.0846    5.2630    0.0000 C   0  0  2  0  0  0
    9.0846    3.7630    0.0000 C   0  0
    7.7856    3.0130    0.0000 O   0  0
   10.3837    6.0130    0.0000 O   0  0
    7.7856    7.5130    0.0000 O   0  0
    5.1875    6.0130    0.0000 O   0  0
    7.7884    1.5181    0.0000 O   0  0
    7.8010   -1.4797    0.0000 C   0  0
    9.0964   -0.7233    0.0000 O   0  0
    7.8088   -2.9796    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  1
  8  7  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 13 14  1  0
 13 15  1  0
 12 16  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 27 26  1  6
 27 22  1  0
 27 28  1  0
 28 19  1  0
 28 29  2  3
 29 30  1  0
 31 30  1  1
 31 11  1  0
 31 18  1  0
 25 32  1  0
 25 33  1  0
 22 34  1  1
 34 35  2  0
 34 36  1  0
 19 37  1  6
 18 38  1  1
 11 39  1  1
  4 40  1  1
  3 41  1  6
 42 41  1  6
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 47 42  1  0
 45 48  1  1
 44 49  1  6
 43 50  1  1
  2 51  1  1
  1 52  1  6
 52 53  2  0
 52 54  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13625

> <plate>
PLATE 001

> <well>
G5

> <supplier_cmpd_name>
Momordin Ic

> <ctcr_id>
11874

> <supplier_cmpd_id>
T3410

> <smiles>
[C@@H]1([C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@]1([C@@]3(CC[C@]4(CCC(C[C@H]4C3=CC[C@H]21)(C)C)C(=O)O)C)C)C)O)O[C@@H]1[C@H]([C@@H]([C@H](CO1)O)O)O)O)C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{T3410,"Momordin Ic"}

> <pdid>
PD056616

> <targets>
{MAPK,PI3K}

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

> <pubchem_cids>
{132399071}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 33 38  0  0  1  0            999 V2000
   -2.0017   -3.8204    0.0000 C   0  0
   -3.4500   -3.4300    0.0000 C   0  0
   -2.2500   -2.4700    0.0000 C   0  0  2  0  0  0
   -0.9100   -3.2400    0.0000 C   0  0
    0.4100   -2.4700    0.0000 C   0  0
    1.7107   -3.2171    0.0000 O   0  0
    0.4100   -0.9400    0.0000 C   0  0  2  0  0  0
   -0.9100   -0.1500    0.0000 C   0  0  1  0  0  0
   -2.2500   -0.9200    0.0000 C   0  0  1  0  0  0
   -3.4500    0.0300    0.0000 C   0  0
   -4.9600   -0.3000    0.0000 C   0  0
   -5.6500   -1.6600    0.0000 C   0  0
   -7.1499   -1.6430    0.0000 O   0  0
   -4.9600   -3.1000    0.0000 O   0  0
   -2.1390    0.5759    0.0000 C   0  0
   -0.9100    1.3600    0.0000 C   0  0
    0.4100    2.1300    0.0000 C   0  0
    1.7500    1.3600    0.0000 C   0  0  2  0  0  0
    1.7500   -0.1800    0.0000 C   0  0  2  0  0  0
    3.0900   -0.9400    0.0000 C   0  0  2  0  0  0
    1.7500   -1.7300    0.0000 O   0  0
    4.4300   -0.1500    0.0000 C   0  0
    5.7324   -0.8941    0.0000 O   0  0
    4.4300    1.3400    0.0000 O   0  0
    3.0900    2.1300    0.0000 C   0  0  1  0  0  0
    3.0984    3.6307    0.0000 C   0  0
    1.8935    4.5024    0.0000 C   0  0
    2.3710    5.9243    0.0000 O   0  0
    3.8710    5.9095    0.0000 C   0  0
    4.3204    4.4785    0.0000 C   0  0
    1.7500    2.8600    0.0000 C   0  0
    1.2741   -1.4433    0.0000 C   0  0
   -4.5747   -4.4224    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9  3  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14  2  1  0
  9 15  1  1
  8 16  1  1
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19  7  1  0
 19 20  1  0
 20 21  1  1
 19 21  1  1
 20 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 18  1  0
 25 26  1  6
 26 27  2  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 26  1  0
 18 31  1  6
  7 32  1  1
  2 33  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13626

> <plate>
PLATE 001

> <well>
G6

> <supplier_cmpd_name>
Obacunone

> <ctcr_id>
12393

> <supplier_cmpd_id>
T3390

> <smiles>
CC1([C@@H]2CC(=O)[C@@]3([C@@H]([C@]2(C=CC(=O)O1)C)CC[C@@]1([C@@]23[C@H](O2)C(=O)O[C@H]1c1cocc1)C)C)C

> <pd_targets>
{TGR}

> <pathway_gtopdb>
{Enzyme}

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Obacunone,751-03-1,751031,OBACUNON,"Obacunoic acid, eta-lactone","Obacunoic acid, etalactone",AI3-37934,AI337934,CHEBI:7713,"Tricoccin S3",eta-lactone,etalactone,"CCRIS 8657","Tricoccin S3;",MLS00247
3187,"Obacunone, analytical standard",SCHEMBL564187,CHEMBL404140,DTXSID20996592,HMS2198M14,EX-A4868,EXA4868,HY,T3390}

> <pdid>
PD056590

> <targets>
{Aromatase,Nrf2,"p38 MAPK"}

> <classes>
{MAPK}

> <pubchem_cids>
{119041}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 21 20  0  0  0  0            999 V2000
    2.6000    0.0000    0.0000 S   0  0
    2.6000   -1.5000    0.0000 O   0  0
    1.3011   -0.7502    0.0000 O   0  0
    1.3000    0.7500    0.0000 O   0  0
    0.0007    0.0004    0.0000 Na  0  0
    3.9000    0.7500    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    5.2000   -1.5000    0.0000 O   0  0
    6.5000    0.7500    0.0000 O   0  0
    7.7999    0.0000    0.0000 C   0  0
    9.0999    0.7500    0.0000 C   0  0
   10.3999    0.0000    0.0000 C   0  0
   11.6999    0.7500    0.0000 C   0  0
   12.9999    0.0000    0.0000 C   0  0
   14.2999    0.7500    0.0000 C   0  0
   15.5999    0.0000    0.0000 C   0  0
   16.8999    0.7500    0.0000 C   0  0
   18.1999    0.0000    0.0000 C   0  0
   19.4998    0.7500    0.0000 C   0  0
   20.7998    0.0000    0.0000 C   0  0
   22.0991    0.7496    0.0000 C   0  0
  1  2  2  0
  1  3  2  0
  1  4  1  0
  4  5  1  0
  1  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  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13627

> <plate>
PLATE 001

> <well>
G7

> <supplier_cmpd_name>
Sodium houttuyfonate

> <ctcr_id>
12348

> <supplier_cmpd_id>
T3603

> <smiles>
S(=O)(=O)(O([Na]))CC(=O)OCCCCCCCCCCCC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Sodium lauryl sulfoacetate",1847-58-1,1847581,Lathanol,"Lathanol LAL","Nacconol LAL","Acetic acid, sulfo-, 1-dodecyl ester, sodium salt","Acetic acid, sulfo, 1dodecyl ester, sodium salt",UNII-D0Y70F
2B9J,UNIID0Y70F2B9J,"Sodium 2-(dodecyloxy)-2-oxoethane-1-sulphonate","Sodium 2(dodecyloxy)2oxoethane1sulphonate","Sulfoacetic acid dodecyl ester S-sod","Sulfoacetic acid dodecyl ester Ssod",T3603,"Sod
ium houttuyfonate"}

> <pdid>

> <targets>
{MAPKs,NF-¦ÊB}

> <classes>
{MAPK,NF-¦ªb}

> <pubchem_cids>
{23668827}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8934   -5.2570    0.0000 C   0  0
   -5.1924   -6.0071    0.0000 C   0  0
   -6.4914   -5.2571    0.0000 C   0  0
   -6.4915   -3.7571    0.0000 C   0  0
   -5.1925   -3.0071    0.0000 C   0  0
   -7.7927   -6.0049    0.0000 N   0  0
   -9.0914   -5.2527    0.0000 C   0  0
  -10.3931   -5.9981    0.0000 N   0  0
  -11.6896   -5.2437    0.0000 C   0  0
  -11.6844   -3.7437    0.0000 C   0  0
  -10.3828   -2.9982    0.0000 C   0  0
   -9.0863   -3.7526    0.0000 N   0  0
  -10.3777   -1.4974    0.0000 C   0  0
  -11.6729   -0.7408    0.0000 C   0  0
  -11.6654    0.7592    0.0000 N   0  0
  -10.3626    1.5027    0.0000 C   0  0
   -9.0673    0.7462    0.0000 C   0  0
   -9.0749   -0.7538    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1873   -7.5117    0.0000 N   0  0
    6.4848   -8.2644    0.0000 C   0  0
    3.8869   -8.2595    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  8 10  1  0
 10 11  2  0
 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  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
  1 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13628

> <plate>
PLATE 001

> <well>
G8

> <supplier_cmpd_name>
JNK-IN-7

> <ctcr_id>
13459

> <supplier_cmpd_id>
T3598

> <smiles>
C(=O)(Nc1cccc(c1)C(=O)Nc1ccc(cc1)Nc1nccc(n1)c1cnccc1)/C=C/CN(C)C

> <pd_targets>
{MAPK8,MAPK9,MAPK10}

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

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

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

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NKIN,JNK-IN-7,JNKIN7,1408064-71-0,1408064710,"JNK inhibitor",CHEMBL3393607,SCHEMBL14979768,BDBM86632,BCP13495,EX-A2476,EXA2476,MFCD25976765,ZINC87723492,AKOS030526494,CS-1554,CS1554,NCGC00379020-03,N
CGC0037902003,AS-74943,AS74943,HY-15617,HY15617,T3598}

> <pdid>
PD056648

> <targets>
{JNK1,JNK2,JNK3}

> <classes>
{MAPK}

> <pubchem_cids>
{57340685}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    3.8971    0.7500    0.0000 C   0  0
    5.1962    1.5000    0.0000 C   0  0
    5.1961    3.0000    0.0000 C   0  0
    3.8971    3.7500    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 O   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17  7  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 18 22  1  0
 22 23  1  0
 23  6  1  0
 23 24  2  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13629

> <plate>
PLATE 001

> <well>
G9

> <supplier_cmpd_name>
NQDI-1

> <ctcr_id>
11956

> <supplier_cmpd_id>
T3101

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

> <pd_targets>
{MAP3K5,GSTM1}

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

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

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

> <broad_targets>
{CASP3}

> <broad_moa>
{"caspase inhibitor"}

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

> <pdid>
PD012255

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

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

> <pubchem_cids>
{5522952}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 19 22  0  0  0  0            999 V2000
   -2.1603   -3.7634    0.0000 O   0  0
   -0.6936   -4.0776    0.0000 N   0  0
    0.3114   -2.9665    0.0000 C   0  0
    0.0063   -1.4979    0.0000 C   0  0
    1.3087   -0.7538    0.0000 C   0  0
    2.4181   -1.7622    0.0000 C   0  0
    3.9106   -1.6122    0.0000 N   0  0
    4.7867   -2.8297    0.0000 C   0  0
    6.2792   -2.6797    0.0000 C   0  0
    7.1553   -3.8973    0.0000 C   0  0
    6.5390   -5.2648    0.0000 C   0  0
    5.0465   -5.4148    0.0000 C   0  0
    4.1704   -4.1973    0.0000 C   0  0
    2.6779   -4.3472    0.0000 N   0  0
    1.8017   -3.1297    0.0000 C   0  0
    1.3162    0.7451    0.0000 C   0  0
    0.0205    1.5010    0.0000 C   0  0
   -1.2819    0.7569    0.0000 C   0  0
   -1.2887   -0.7430    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  2  0
 15  3  1  0
 15  6  1  0
  5 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19  4  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13630

> <plate>
PLATE 001

> <well>
G10

> <supplier_cmpd_name>
IQ-1S

> <ctcr_id>
13460

> <supplier_cmpd_id>
T3627

> <smiles>
O/N=C/1\c2c(c3nc4ccccc4nc13)cccc2

> <pd_targets>
{MAPK10,MAPK9,MAPK8,CSNK1D,PIK3CG,MKNK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase MAPK family","CMGC protein kinase JNK subfamily",Transferase,"CK1 protein kinase group","CAMK protein kinase group","CK
1 protein kinase CK1 family","CAMK protein kinase MAPKAPK family","CAMK protein kinase MNK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","JNK subfamily","CK1: Casein kinase 1","Lipid modifying kinases","CAMK
: Calcium/calmodulin-dependent protein kinases","Casein kinase 1 (CK1) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","MAPK-Activated Protein Kinase (MAPKAPK) family","MKN subfamily"}

> <pathway_reactome>
{"Immune System","Innate Immune System","Toll-like Receptor Cascades","Toll Like Receptor 5 (TLR5) Cascade","MyD88 cascade initiated on plasma membrane","MAP kinase activation","MAPK targets/ Nuclear 
events mediated by MAP kinases","Activation of the AP-1 family of transcription factors","Cell Cycle",Metabolism,Mitotic,"Metabolism of lipids","Mitotic G2-G2/M phases","Phospholipid metabolism","G2/M
 Transition","PI Metabolism","Centrosome maturation","Synthesis of PIPs at the plasma membrane","Loss of proteins required for interphase microtubule organization from the centrosome","Loss of Nlp fro
m mitotic centrosomes"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Q1,IQ-1S,IQ1S,23146-22-7,23146227,"IQ-1S free acid","IQ1S free acid","11H-indeno(1,2-b)quinoxalin-11-one oxime","11Hindeno(1,2b)quinoxalin11one oxime","IQ-1S (free acid)","IQ1S (free acid)","11-nitro
so-10H-indeno(1,2-b)quinoxaline","11nitroso10Hindeno(1,2b)quinoxaline",CHEMBL3393601,CHEMBL3759098,"11H-Indeno(1,2-b)quinoxalin-11-one, oxime","11HIndeno(1,2b)quinoxalin11one, oxime",Oprea1_442614,Opr
ea1442614,Oprea1-442614,"Oprea1 442614",Oprea1_488472,Oprea1488472,Oprea1-488472,"Oprea1 488472",CBDivE_00,CBDivE00,CBDivE-00,"CBDivE 00",T3627}

> <pdid>
PD052517

> <targets>
{JNK1,JNK2,JNK3}

> <classes>
{MAPK}

> <pubchem_cids>
{619002}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2959    5.2508    0.0000 O   0  0
   -0.0049    5.9994    0.0000 C   0  0
   -0.0102    7.4994    0.0000 N   0  0
   -1.3118    8.2449    0.0000 C   0  0
   -1.3170    9.7449    0.0000 N   0  0
   -2.6083    7.4904    0.0000 N   0  0
   -2.6031    5.9904    0.0000 C   0  0
   -1.3014    5.2449    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    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
    7.7913   -3.0067    0.0000 C   0  0
    9.0908   -3.7559    0.0000 F   0  0
    7.7908   -1.5067    0.0000 F   0  0
    9.0900   -2.2561    0.0000 F   0  0
    5.1925   -3.0070    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  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 15  9  1  0
  7 16  2  0
 16 17  1  0
 17  4  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20  3  1  0
  2 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
 26 31  2  0
 31 22  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13631

> <plate>
PLATE 001

> <well>
G11

> <supplier_cmpd_name>
BAW2881

> <ctcr_id>
12249

> <supplier_cmpd_id>
T3641

> <smiles>
O=C(c1c2ccc(Oc3nc(N)ncc3)cc2ccc1)Nc1cccc(C(F)(F)F)c1

> <pd_targets>
{KDR}

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

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by VEGF","VEGFA-VEGFR2 Pathway","VEGFR2 mediated cell proliferation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BAW2881,861875-60-7,861875607,NVP-BAW2881,NVPBAW2881,CHEMBL4104297,6-((2-aminopyrimidin-4-yl)oxy)-N-(3-(trifluoromethyl)phenyl)-1-naphthamide,6((2aminopyrimidin4yl)oxy)N(3(trifluoromethyl)phenyl)1nap
hthamide,"BAW2881 (NVP-BAW2881)","BAW2881 (NVPBAW2881)","NVP BAW2881",SCHEMBL2433509,BCP17232,EX-A1156,EXA1156,BDBM50270439,MFCD30343850,s8189,ZINC34865030,AKOS032945,T3641}

> <pdid>
PD044593

> <targets>
{VEGFR,Raf,c-RET,c-Abl,"B-Raf (V599E)",C-Raf-1,hVEGFR2}

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

> <pubchem_cids>
{16004702}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
    6.9868   -0.4543    0.0000 O   0  0
    5.6877    0.2956    0.0000 C   0  0
    5.3046   -1.1546    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    4.2375    0.6788    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
   -1.2946   -3.7547    0.0000 C   0  0
   -2.5943   -3.0056    0.0000 C   0  0
   -3.8928   -3.7565    0.0000 C   0  0
   -3.8918   -5.2565    0.0000 C   0  0
   -5.1904   -6.0073    0.0000 I   0  0
   -2.5923   -6.0056    0.0000 C   0  0
   -1.2937   -5.2548    0.0000 C   0  0
    0.0058   -6.0039    0.0000 F   0  0
    5.6777    1.7931    0.0000 C   0  0  2  0  0  0
    4.3736    2.5343    0.0000 C   0  0
    4.3635    4.0343    0.0000 C   0  0
    5.6575    4.7930    0.0000 C   0  0
    6.9616    4.0518    0.0000 C   0  0
    6.9716    2.5518    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  2  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  2  0
 15  8  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 17  1  0
 23 24  1  0
 25  2  1  6
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13632

> <plate>
PLATE 001

> <well>
H2

> <supplier_cmpd_name>
Cobimetinib

> <ctcr_id>
8366

> <supplier_cmpd_id>
T3623

> <smiles>
OC1(CN(C1)C(=O)c2ccc(F)c(F)c2Nc3ccc(I)cc3F)[C@@H]4CCCCN4

> <pd_targets>
{MAP2K2,MAP2K1,MAP2K7,BRAF}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","STE protein kinase group","TKL protein kinase group","STE protein kinase STE7 family","TKL protein kinase RAF family"}

> <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","STE7 family","TKL: Tyrosine kinase-like","RAF f
amily"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Signaling by Receptor Tyrosine Kinases","Innate Immune System","Signaling by NTRKs","Toll-like Receptor Cascades","Signaling by NTRK1 (TRKA)","Toll Like Recepto
r 5 (TLR5) Cascade","Signalling to ERKs","MyD88 cascade initiated on plasma membrane","Prolonged ERK activation events","MAP kinase activation","Frs2-mediated activation","JNK (c-Jun kinases) phosphor
ylation and  activation mediated by activated human TAK1","ARMS-mediated activation"}

> <broad_targets>
{MAP2K1}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{Cobimetinib,934660-93-2,934660932,GDC-0973,GDC0973,XL518,Cotellic,Xl-518,Xl518,"GDC 0973",RG7420,"RG 7420",UNII-ER29L26N1X,UNIIER29L26N1X,"XL 518","Cobimetinib (GDC-0973, RG7420)","Cobimetinib (GDC09
73, RG7420)",ER29L26N1X,C21H21F3IN3O2,CHEMBL2146883,EUI,"Cobimetinib Butyrate",934660-94-3,934660943,"Cobimetinib (USAN:INN)",T3623,768068}

> <pdid>
PD009336

> <targets>
{MEK1}

> <classes>
{}

> <pubchem_cids>
{16222096}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981    3.0000    0.0000 O   0  0
    2.5981    1.5000    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17  7  1  0
 14 18  1  0
 12 19  1  0
  8 20  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13633

> <plate>
PLATE 001

> <well>
H3

> <supplier_cmpd_name>
Galangin

> <ctcr_id>
11489

> <supplier_cmpd_id>
T3668

> <smiles>
c1ccc(cc1)c1c(c(=O)c2c(cc(cc2o1)O)O)O

> <pd_targets>
{TIM23,CA4,CA7,BCHE,ACHE,CYP1A1,CYP2D6,ABCB1,LCK,XDH,DPP3,KMT2A,MEN1,ADORA1,CYP1B1,CYP1A2,MAPT,ABCB1A,FABG,CYP2C19,TIM10,TRPC5,CA12,MAOB,ADORA3,ADORA2A,CYP3A4,MAOA,ATP2A1,AURKB,CYP2C9,ADORA2B,CYP19A1}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,Transporter,"Epigenetic regulator","Membrane receptor","Other cytosolic protein","Ion channel",Lyase,Hydrolase,"Cytochrome P450","Primary active transporter",Kinase,Oxid
oreductase,Protease,Reader,"Family A G protein-coupled receptor","Voltage-gated ion channel","Cytochrome P450 family 1","Cytochrome P450 family 2","ATP-binding cassette","Protein Kinase","Metallo prot
ease",Bromodomain,"Small molecule receptor (family A GPCR)","Transient receptor potential channel","Cytochrome P450 family 3","P-type ATPase","Cytochrome P450 family 19","Cytochrome P450 family 1A","C
ytochrome P450 family 2D","ABCB subfamily","TK protein kinase group","Metallo protease MAE clan","Nucleotide-like receptor (family A GPCR)","Cytochrome P450 family 1B","Cytochrome P450 family 2C","Cyt
ochrome P450 family 3A","Calcium ATPase","Other protein kinase group","Cytochrome P450 family 19A","Cytochrome P450 1A1","Cytochrome P450 2D6","Tyrosine protein kinase Src family","Metallo protease M4
9 family","Adenosine receptor","Cytochrome P450 1B1","Cytochrome P450 2C19","Cytochrome P450 3A4","Other protein kinase AUR family","Cytochrome P450 2C9","Cytochrome P450 19A1"}

> <pathway_chembl>
{Enzymes,Transporters,Receptors,"Ion channels","Carbonic anhydrases","Acetylcholine turnover","Cytochrome P450","ATP-binding cassette transporter family","Catalytic receptors","1.-.-.- Oxidoreductases
","Peptidases and proteinases","G protein-coupled receptors","Voltage-gated ion channels","Catecholamine turnover","P-type ATPases","CYP1 family","CYP2 family: drug metabolising subset","ABCB subfamil
y","Receptor kinases","MA: Metallo (M) Peptidases","Adenosine receptors","Transient Receptor Potential channels","CYP3 family","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases",CYP11,CYP17,CYP19,"CYP20 an
d CYP21 families","TK: Tyrosine kinase","M49: Dipeptidyl-peptidase III","Other protein kinases","Non-receptor tyrosine kinases (nRTKs)","Aurora kinase (Aur) family","Src family"}

> <pathway_reactome>
{"Transport of small molecules",Metabolism,Disease,"Signal Transduction","Neuronal System","Developmental Biology",Hemostasis,"Cell Cycle","O2/CO2 exchange in erythrocytes","Reversible hydration of ca
rbon dioxide","Metabolism of lipids","Biological oxidations","Abacavir transport and metabolism","Infectious disease","Metabolism of nucleotides","Signaling by GPCR","Transmission across Chemical Syna
pses","Nervous system development","Platelet homeostasis",Mitotic,"Erythrocytes take up carbon dioxide and release oxygen","Phospholipid metabolism","Phase I - Functionalization of compounds","Abacavi
r transmembrane transport","HIV Infection","Nucleobase catabolism","GPCR ligand binding","Neurotransmitter receptors and postsynaptic signal transmission","Axon guidance","Leishmania infection","Biosy
nthesis of specialized proresolving mediators (SPMs)","Platelet calcium homeostasis","M Phase","Glycerophospholipid biosynthesis","Cytochrome P450 - arranged by substrate type","Host Interactions of H
IV factors","Purine catabolism","Class A/1 (Rhodopsin-like receptors)","Activation of NMDA receptors and postsynaptic events","Netrin-1 signaling","Amine Oxidase reactions","Leishmania parasite growth
 and survival","Biosynthesis of DHA-derived SPMs","Reduction of cytosolic Ca++ levels","Mitotic Metaphase and Anaphase","Synthesis of PC",Xenobiotics,"The role of Nef in HIV-1 replication and disease 
pathogenesis","Nucleotide-like (purinergic) receptors","Endogenous sterols","Post NMDA receptor activation events","Role of second messengers in netrin-1 signaling","Biogenic amines are oxidatively de
aminated to aldehydes by MAOA and MAOB","Anti-inflammatory response favouring Leishmania parasite infection","Biosynthesis of maresins","Mitotic Anaphase","CYP2E1 reactions","Nef-mediates down modulat
ion of cell surface receptors by recruiting them to clathrin adapters","Adenosine P1 receptors","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Activation of AMPK downstream of NMD
ARs","ADORA2B mediated anti-inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Separation of Sister Chromatids","Nef Mediated CD4 Down-regulation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Galangin,548-83-4,548834,Norizalpinin,"3,5,7-Trihydroxyflavone","3,5,7Trihydroxyflavone","3,5,7-Trihydroxy-2-phenyl-4H-chromen-4-one","3,5,7Trihydroxy2phenyl4Hchromen4one","3,5,7-triOH-Flavone","3,5,
7triOHFlavone","3,5,7-Trihydroxy-2-phenyl-4-benzopyrone","3,5,7Trihydroxy2phenyl4benzopyrone","4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-phenyl-","4H1Benzopyran4one, 3,5,7trihydroxy2phenyl",3,5,7-trih
ydroxy-2-phenylch,7trihydroxy2phenylch,T3668}

> <pdid>
PD001197

> <targets>
{ERK,NF-¦ÊB}

> <classes>
{MAPK,NF-¦ªb}

> <pubchem_cids>
{5281616}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    2.5796   -7.5040    0.0000 F   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 N   0  0
    0.0000    1.5000    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 O   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8978    0.7496    0.0000 C   0  0
   -5.1981    1.4975    0.0000 C   0  0
   -5.2005    2.9975    0.0000 Cl  0  0
   -6.4959    0.7454    0.0000 C   0  0
   -6.4936   -0.7546    0.0000 C   0  0
   -5.1933   -1.5025    0.0000 C   0  0
   -3.8955   -0.7505    0.0000 C   0  0
   -2.5953   -1.4984    0.0000 Cl  0  0
    3.8915   -3.7585    0.0000 C   0  0
    5.1932   -3.0130    0.0000 F   0  0
    3.8864   -5.2585    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  3
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  3
 15  9  1  0
 15 16  1  0
 16 17  2  3
 17  7  1  0
 14 18  1  0
 18 19  2  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 18  1  0
 24 25  1  0
  5 26  1  0
 26 27  1  0
 26 28  2  0
 28  2  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13634

> <plate>
PLATE 001

> <well>
H4

> <supplier_cmpd_name>
Neflamapimod

> <ctcr_id>
5006

> <supplier_cmpd_id>
T6089

> <smiles>
Fc1ccc(SC2=NN3C=NC(=O)C(=C3C=C2)c4c(Cl)cccc4Cl)c(F)c1

> <pd_targets>
{MAPK14,EPHB4,ABL1,EPHA1,PDGFRB,MAPK11,CSF1R,LCK,LYN,ABL2,EPHA2,SRC,MAPK12,MAPK13,FYN,FGR,DDR1,EPHB1,BLK,EPHA8,YES1,HCK,EPHA5,FRK,PDGFRA,HTR2A,ROS1,EPHA4,SLC6A3,SLC6A2,ADRA2B,ADRA2A,ADORA3}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Transporter,Kinase,"Family A G protein-coupled receptor","Electrochemical transporter","Protein Kinase","Small molecule receptor (family A GPCR)","SLC superfamily of solute
 carriers","CMGC protein kinase group","TK protein kinase group","Monoamine receptor","SLC06 neurotransmitter transporter family","Nucleotide-like receptor (family A GPCR)","CMGC protein kinase MAPK f
amily","Tyrosine protein kinase Eph family","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Src family","Tyrosine protein kinase DDR family","Serot
onin receptor","Tyrosine protein kinase Sev family","Adrenergic receptor","Adenosine receptor","CMGC protein kinase p38 subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Kinases (EC 2.7.x.x)","Catalytic receptors","G protein-coupled receptors","SLC superfamily of solute carriers","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Recepto
r kinases","5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter family",Adrenoceptors,"Adenosine receptors","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","Monoa
mine transporter subfamily","p38 subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type XIII RTKs: Ephrin receptor family","Abl family","Type III RTKs: PDGFR",CSFR
,Kit,"FLT3 receptor family","Src family","Type XVI RTKs: DDR (collagen receptor) family","Type XVII RTKs: ROS receptors"}

> <pathway_reactome>
{"Immune System","Developmental Biology",Disease,"Signal Transduction","Gene expression (Transcription)","Extracellular matrix organization","Innate Immune System","Nervous system development","Infect
ious disease","Intracellular signaling by second messengers","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Non-integrin membrane-ECM interactions","Diseases of signal tra
nsduction by growth factor receptors and second messengers","Signaling by GPCR","Disorders of transmembrane transporters","Toll-like Receptor Cascades","Axon guidance","Leishmania infection","PIP3 act
ivates AKT signaling","Generic Transcription Pathway","HIV Infection","Signaling by NTRKs","Signaling by PDGFR in disease","GPCR ligand binding","SLC transporter disorders","Toll Like Receptor 5 (TLR5
) Cascade","EPH-Ephrin signaling","Parasite infection","Negative regulation of the PI3K/AKT network","Transcriptional Regulation by VENTX","Host Interactions of HIV factors","Leishmania parasite growt
h and survival","Signaling by ROBO receptors","Signaling by NTRK1 (TRKA)","Transcriptional regulation by RUNX1","PTEN Regulation","Drug resistance of PDGFR mutants","Class A/1 (Rhodopsin-like receptor
s)","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","Defective SLC6A2 causes orthostatic intolerance (OI)","MyD88 cascade initiated on plasma membrane","EPHB-mediated forward signali
ng","Leishmania phagocytosis","EPHA-mediated growth cone collapse",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Anti-inflammatory r
esponse favouring Leishmania parasite infection","Role of ABL in ROBO-SLIT signaling","Signalling to ERKs","RUNX1 regulates transcription of genes involved in BCR signaling","Regulation of PTEN stabil
ity and activity","Imatinib-resistant PDGFR mutants","Amine ligand-binding receptors","Nucleotide-like (purinergic) receptors","MAP kinase activation","FCGR3A-mediated phagocytosis","Nef-mediates down
 modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated IL10 synthesis","Signalling to RAS","Nef and signal transduction","Serotonin receptors",Adrenoceptors,"A
denosine P1 receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","p38MAPK events","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{MAPK11,MAPK12,MAPK14}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{209410-46-8,209410468,VX-745,VX745,Neflamapimod,"VX 745",VRT-031745,VRT031745,C19H9Cl2F2N3OS,UNII-TYL52QM320,UNIITYL52QM320,TYL52QM320,CHEBI:90528,"Neflamapimod (USAN)",VD-31745,VD31745,"VD-31,745","
VD31,745",hexadecylacrylate,"zlchem 1139",Kinome_3767,Kinome3767,Kinome-3767,"Kinome 3767",PubChem17468,cc-466,cc466,MLS006010281,SCHEMBL156367,CHE,T6089,S1458}

> <pdid>
PD003254

> <targets>
{"p38 MAPK",Autophagy}

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

> <pubchem_cids>
{3038525}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 41 42  0  0  0  0            999 V2000
   -1.2250   -6.6252    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
    1.2443   -5.8182    0.0000 C   0  0
    0.2425   -6.9344    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 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 N   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 C   0  0
   -4.2067    3.2905    0.0000 N   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -1.6193    3.9803    0.0000 C   0  0
   -0.1673    3.6256    0.0000 C   0  0
    0.8689    4.7101    0.0000 C   0  0
    0.4478    6.1498    0.0000 C   0  0
    1.4840    7.2343    0.0000 F   0  0
   -1.0096    6.5049    0.0000 C   0  0
   -2.0458    5.4204    0.0000 C   0  0
   -6.4444    1.8313    0.0000 C   0  0
   -7.0532    0.4604    0.0000 C   0  0
   -7.3276    3.0437    0.0000 C   0  0
   -7.9360    1.6729    0.0000 C   0  0
    6.3536    1.6499    0.0000 C   0  0
    6.3536    0.1499    0.0000 S   0  0
    6.3536   -1.3501    0.0000 O   0  0
    5.0543   -0.5997    0.0000 O   0  0
    7.6529   -0.5997    0.0000 O   0  0
   11.4536    1.6499    0.0000 C   0  0
   11.4536    0.1499    0.0000 S   0  0
   11.4536   -1.3501    0.0000 O   0  0
   10.1543   -0.5997    0.0000 O   0  0
   12.7529   -0.5997    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  6  1  0
 15 10  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 16  2  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
 18 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 33 36  2  0
 37 38  1  0
 38 39  1  0
 38 40  2  0
 38 41  2  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13635

> <plate>
PLATE 001

> <well>
H5

> <supplier_cmpd_name>
Ralimetinib Mesylate

> <ctcr_id>
6238

> <supplier_cmpd_id>
T6047

> <smiles>
CC(C)(C)Cn1c(N)nc2ccc(nc12)c3[nH]c(nc3c4ccc(F)cc4)C(C)(C)C.C[S](O)(=O)=O.C[S](O)(=O)=O

> <pd_targets>
{MAPK14,MAPK11}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase MAPK family","CMGC protein kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","p38 subfamily"}

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

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CCG-270240,CCG270240,BCP9000872,LY2228820,862507-23-1,862507231,"Ralimetinib Mesylate","LY2228820 diMesylate","Ralimetinib dimesylate",UNII-QUW7B71FO9,UNIIQUW7B71FO9,"862507-23-1 (mesylate)","8625072
31 (mesylate)","LY 2228820",QUW7B71FO9,"Ralimetinib mesylate (USAN)",LY-2228820,"LY2228820 2MsOH",cc-430,cc430,SCH,T6047,S1494}

> <pdid>
PD016528

> <targets>
{"p38 MAPK",Apoptosis,Autophagy}

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

> <pubchem_cids>
{11570805}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
    5.6947   -3.4324    0.0000 F   0  0
    4.2010   -3.2956    0.0000 C   0  0
    3.2995   -4.4945    0.0000 F   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
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 N   0  0
   -5.1835   -6.0134    0.0000 C   0  0
   -6.4799   -6.7679    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 N   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -0.0072    7.5016    0.0000 C   0  0
    1.0503    8.5140    0.0000 C   0  0
   -0.0138    9.5713    0.0000 O   0  0
   -1.0710    8.5072    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  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
 16 20  1  0
 20 21  3  0
 12 22  2  0
 22  8  1  0
 10 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  1  0
 30 31  1  0
 31 32  1  0
 32 29  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13636

> <plate>
PLATE 001

> <well>
H6

> <supplier_cmpd_name>
GNE-3511

> <ctcr_id>
11620

> <supplier_cmpd_id>
T3707

> <smiles>
FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1

> <pd_targets>
{RPS6KB1,MAP3K12,MAP3K11,MAPK9,MAPK10,MAP3K9,MAP3K10,MAP3K13,MAPK8}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","AGC protein kinase group","STE protein kinase group","TKL protein kinase group","CMGC protein kinase group","AGC protein kinase RSK family","TKL protein kinase MLK fam
ily","CMGC protein kinase MAPK family","AGC protein kinase p70 subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase JNK subfamily","TKL protein kinase LZK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","AGC: Containing PKA",PKG,"PKC families","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","RSK family","TKL: Tyrosine 
kinase-like","Mitogen-activated protein kinases (MAP kinases)","p70 subfamily","Mixed Lineage Kinase (MLK) family","JNK subfamily","LZK subfamily","MLK subfamily"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Immune System","MTOR signalling","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","mTORC1-mediated signalling",
"Oncogenic MAPK signaling","Toll-like Receptor Cascades","Signaling by RAS mutants","Toll Like Receptor 5 (TLR5) Cascade","Signaling downstream of RAS mutants","MyD88 cascade initiated on plasma membr
ane","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NE351,GNE-3511,GNE3511,1496581-76-0,1496581760,"GNE 3511",CHEMBL3393333,"L-163,101","L163,101",162112-43-8,162112438,GTPL9355,SCHEMBL15602439,BCP19925,EX-A1294,EXA1294,"GNE3511;GNE 3511",BDBM50059190
,ZINC207101276,CS-5852,CS5852,SB17261,"compound 26 (PMID: 25341110)",NCGC00384250-01,NCGC0038425001,HY-12947,HY12947,Q27455,T3707}

> <pdid>
PD003217

> <targets>
{DLK,MAP3K12,MAP3K}

> <classes>
{DNA Damage/DNA Repair,MAPK,MAPK/ERK Pathway}

> <pubchem_cids>
{72547959}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 C   0  0
   -2.5998    3.0004    0.0000 F   0  0
   -3.8976    0.7500    0.0000 F   0  0
   -3.8982    2.2498    0.0000 F   0  0
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 N   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8933    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 N   0  0
    6.4914    5.2571    0.0000 C   0  0
    6.4915    3.7571    0.0000 C   0  0
    5.1925    3.0071    0.0000 C   0  0
    7.7912    3.0068    0.0000 C   0  0
    9.0915    3.7547    0.0000 C   0  0
   10.3894    3.0027    0.0000 N   0  0
   10.3870    1.5027    0.0000 C   0  0
    9.0868    0.7547    0.0000 C   0  0
    7.7889    1.5067    0.0000 C   0  0
    9.0845   -0.7460    0.0000 N   0  0
   10.3812   -1.5002    0.0000 C   0  0
   10.3764   -3.0002    0.0000 C   0  0
    9.0750   -3.7461    0.0000 O   0  0
    7.7784   -2.9921    0.0000 C   0  0
    7.7831   -1.4921    0.0000 C   0  0
   11.6872    0.7529    0.0000 O   0  0
   12.9870    1.5032    0.0000 C   0  0
   14.2875    0.7557    0.0000 C   0  0
   15.5851    1.5082    0.0000 C   0  0
   15.5823    3.0082    0.0000 O   0  0
   14.2818    3.7557    0.0000 C   0  0
   12.9842    3.0032    0.0000 C   0  0
    7.7904    6.0072    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
  2 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
 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
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
 23 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 33  1  0
 17 39  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13637

> <plate>
PLATE 001

> <well>
H7

> <supplier_cmpd_name>
RAF709

> <ctcr_id>
12482

> <supplier_cmpd_id>
T3711

> <smiles>
c1c(cc(cc1)C(F)(F)F)C(=O)Nc1cnc(c(c1)c1cnc(c(c1)N1CCOCC1)OC1CCOCC1)C

> <pd_targets>
{RAF1,BRAF}

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

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

> <pathway_reactome>
{"Signal Transduction","MAPK family signaling cascades","Signaling by Receptor Tyrosine Kinases","MAPK1/MAPK3 signaling","Signaling by NTRKs","RAF/MAP kinase cascade","Signaling by NTRK1 (TRKA)","Nega
tive regulation of MAPK pathway","Signalling to ERKs","Negative feedback regulation of MAPK pathway","Prolonged ERK activation events","ARMS-mediated activation"}

> <broad_targets>
{}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{RAF709,1628838-42-5,1628838425,RAF-709,CHEMBL3962812,SCHEMBL16035801,BDBM202784,BCP19140,EX-A1298,EXA1298,s8690,AKOS030632027,CCG-269969,CCG269969,CS-6074,CS6074,AK684355,BS-15948,BS15948,HY-100510,H
Y100510,J3.655.460F,A16842,"US9242969, 131",92J,T3711}

> <pdid>
PD064845

> <targets>
{B-Raf,C-Raf}

> <classes>
{MAPK}

> <pubchem_cids>
{90408826}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 33 35  0  0  0  0            999 V2000
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    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 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 N   0  0
   -9.0905   -0.7779    0.0000 C   0  0
   -7.7802   -3.0220    0.0000 C   0  0
   -6.4773   -3.7652    0.0000 O   0  0
   -9.0758   -3.7796    0.0000 C   0  0
   -9.0685   -5.2804    0.0000 N   0  0
  -10.3641   -6.0379    0.0000 C   0  0
  -10.3589   -7.5380    0.0000 C   0  0
  -11.6554   -8.2925    0.0000 C   0  0
  -12.9570   -7.5470    0.0000 C   0  0
  -12.9622   -6.0470    0.0000 C   0  0
  -11.6658   -5.2925    0.0000 C   0  0
  -11.6711   -3.7925    0.0000 C   0  0
  -14.2639   -5.3016    0.0000 C   0  0
  -14.2534   -8.3015    0.0000 N   0  0
  -11.6501   -9.7925    0.0000 C   0  0
   -9.0573   -8.2835    0.0000 C   0  0
    3.8976   -0.7553    0.0000 N   0  0
  1  2  2  0
  1  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  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 10  1  0
 13 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
 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
 26 29  1  0
 25 30  1  0
 24 31  1  0
 23 32  1  0
  1 33  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13638

> <plate>
PLATE 001

> <well>
H8

> <supplier_cmpd_name>
SUN 11602

> <ctcr_id>
12539

> <supplier_cmpd_id>
T3714

> <smiles>
C(=O)(c1ccc(cc1)CN1CCC(CC1)N(C)C(=O)CNc1c(c(c(c(c1C)C)N)C)C)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{FGFR1}

> <broad_moa>
{"fibroblast growth factor mimetic"}

> <synonyms>
{SUN11602,704869-38-5,704869385,SUN-11602,"SUN 11602",SCHEMBL4201843,CHEMBL4303490,HMS3886P06,BCP19606,EX-A2563,EXA2563,s8192,ZINC98052693,AKOS024458366,CCG-269249,CCG269249,CS-6383,CS6383,NCGC0037920
9-01,NCGC0037920901,HY-101493,HY101493,T3714}

> <pdid>
PD038256

> <targets>
{ERK1,ERK2,FGFR}

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

> <pubchem_cids>
{22245705}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
   -0.4646   -9.3545    0.0000 O   0  5
    1.0278   -9.2037    0.0000 N   0  3
    1.9043  -10.4210    0.0000 O   0  0
    1.6423   -7.8372    0.0000 C   0  0
    0.8997   -6.5339    0.0000 S   0  0
    1.9143   -5.4464    0.0000 C   0  0
    1.6137   -3.9759    0.0000 S   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
    3.9511   -0.8815    0.0000 C   0  0
    4.2566    0.5871    0.0000 O   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 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
    3.2766   -6.0429    0.0000 N   0  0
    3.1112   -7.5338    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  3
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13  8  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 22 23  2  0
 23 14  1  0
  6 24  2  0
 24 25  1  0
 25  4  2  0
M  CHG  2   1  -1   2   1
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13639

> <plate>
PLATE 001

> <well>
H9

> <supplier_cmpd_name>
BI-78D3

> <ctcr_id>
44

> <supplier_cmpd_id>
T6784

> <smiles>
[O-][N+](=O)c1sc(SC2=NNC(=O)N2c3ccc4OCCOc4c3)nc1

> <pd_targets>
{REP,MAPK9,MAPK8,MAPK10}

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

> <pathway_chembl>
{"Other protein targets",Enzymes,"Anti-infective targets","Kinases (EC 2.7.x.x)","Viral protein targets","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Coronavirus (CoV) proteins","Mitogen-activated
 protein kinases (MAP kinases)","JNK subfamily"}

> <pathway_reactome>
{Disease,"Immune System","Infectious disease","Innate Immune System","SARS-CoV Infections","Toll-like Receptor Cascades","SARS-CoV-2 Infection","Toll Like Receptor 5 (TLR5) Cascade","SARS-CoV-2 Genome
 Replication and Transcription","MyD88 cascade initiated on plasma membrane","Replication of the SARS-CoV-2 genome","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","Acti
vation of the AP-1 family of transcription factors"}

> <broad_targets>
{MAPK8}

> <broad_moa>
{"JNK inhibitor"}

> <synonyms>
{BI-78D3,BI78D3,883065-90-5,883065905,"BI 78D3",CHEMBL508280,MLS006010634,SCHEMBL8187066,BDBM26057,CHEBI:94732,DTXSID10372629,EX-A970,EXA970,HMS3413H22,HMS3677H22,BCP17200,ANW-67494,ANW67494,BDBM50526
695,CCG-56351,CCG56351,MFCD01313575,s8201,ZINC12370057,AKOS016006596,CCG-268395,CCG268395,C,T6784,3314,nan,"JNK INHIBITOR X"}

> <pdid>
PD021753

> <targets>
{"MAPK Family",JNK}

> <classes>
{MAPK/ERK Pathway}

> <pubchem_cids>
{2747117}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
    0.7500   -1.0323    0.0000 O   0  0
    1.2135    0.3943    0.0000 C   0  0  1  0  0  0
    0.0000    1.2760    0.0000 C   0  0  2  0  0  0
   -1.2135    0.3943    0.0000 C   0  0  2  0  0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -2.4258    1.2743    0.0000 C   0  0  2  0  0  0
   -1.9623    2.7008    0.0000 O   0  0
   -0.4623    2.7009    0.0000 C   0  0
   -3.8530    0.8102    0.0000 C   0  0
   -5.0359    1.7245    0.0000 C   0  0
   -6.4234    1.1545    0.0000 C   0  0
   -6.6235   -0.3321    0.0000 C   0  0
   -5.4362   -1.2487    0.0000 C   0  0
   -4.0487   -0.6787    0.0000 C   0  0
   -5.6334   -2.7365    0.0000 O   0  0
   -4.4447   -3.6515    0.0000 C   0  0
   -8.0106   -0.9052    0.0000 O   0  0
   -8.2087   -2.3921    0.0000 C   0  0
   -7.6095    2.0741    0.0000 O   0  0
   -7.4072    3.5604    0.0000 C   0  0
    2.6408    0.8581    0.0000 C   0  0
    3.0599    2.2932    0.0000 C   0  0
    4.5174    2.6480    0.0000 C   0  0
    5.5534    1.5633    0.0000 C   0  0
    5.1320    0.1237    0.0000 C   0  0
    3.6746   -0.2312    0.0000 C   0  0
    7.0124    1.9154    0.0000 O   0  0
    8.0469    0.8292    0.0000 C   0  0
    4.9360    4.0893    0.0000 O   0  0
    3.8984    5.1725    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  6
  5  1  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  3  8  1  6
  6  9  1  1
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 13 15  1  0
 15 16  1  0
 12 17  1  0
 17 18  1  0
 11 19  1  0
 19 20  1  0
  2 21  1  1
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 24 27  1  0
 27 28  1  0
 23 29  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13640

> <plate>
PLATE 001

> <well>
H10

> <supplier_cmpd_name>
magnolin

> <ctcr_id>
12500

> <supplier_cmpd_id>
T3857

> <smiles>
O1[C@@H]([C@@H]2[C@H](C1)[C@H](OC2)c1cc(c(c(c1)OC)OC)OC)c1cc(c(cc1)OC)OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Magnolin,31008-18-1,31008181,(+)-magnolin,(+)magnolin,CHEMBL519926,SCHEMBL18013408,DTXSID10953134,HY-N1374,HYN1374,ZINC6018659,MFCD07783722,s9102,AKOS015896749,CCG-268841,CCG268841,CS-6942,CS6942,AS-
74802,AS74802,W1859,008M181,Q-100391,Q100391,1-(3,1(3,4-dimethoxyphenyl)-4-(3,4dimethoxyphenyl)4(3,4,5-trimethoxyphenyl)perhydrofuro(,5trimethoxyphenyl)perhydrofuro(,T3857,magnolin}

> <pdid>
PD065192

> <targets>
{ERK1/2,ERK1,ERK2}

> <classes>
{MAPK}

> <pubchem_cids>
{169234}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 51 56  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -5.1968    1.5003    0.0000 C   0  0  2  0  0  0
   -6.4948    0.7483    0.0000 O   0  0
   -7.7950    1.4963    0.0000 C   0  0  1  0  0  0
   -7.7974    2.9963    0.0000 C   0  0  2  0  0  0
   -6.4995    3.7483    0.0000 C   0  0  1  0  0  0
   -5.1993    3.0004    0.0000 C   0  0  1  0  0  0
   -3.9023    3.7556    0.0000 O   0  0
   -3.9069    5.2564    0.0000 C   0  0  2  0  0  0
   -5.2098    5.9999    0.0000 O   0  0
   -5.2174    7.4999    0.0000 C   0  0
   -3.9222    8.2565    0.0000 C   0  0  1  0  0  0
   -2.6194    7.5131    0.0000 C   0  0  1  0  0  0
   -2.6117    6.0131    0.0000 C   0  0  1  0  0  0
   -1.3089    5.2698    0.0000 O   0  0
   -1.3242    8.2697    0.0000 O   0  0
   -3.9298    9.7565    0.0000 O   0  0
   -6.5019    5.2483    0.0000 O   0  0
   -9.0976    3.7442    0.0000 O   0  0
   -9.0920    0.7411    0.0000 C   0  0
   -9.0875   -0.7589    0.0000 O   0  0
   -2.5981    3.0000    0.0000 O   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    6.4915   -3.7597    0.0000 O   0  0
    6.4870   -5.2605    0.0000 C   0  0  2  0  0  0
    5.1842   -6.0040    0.0000 O   0  0
    5.1766   -7.5040    0.0000 C   0  0  1  0  0  0
    6.4719   -8.2606    0.0000 C   0  0  2  0  0  0
    7.7747   -7.5171    0.0000 C   0  0  1  0  0  0
    7.7822   -6.0171    0.0000 C   0  0  1  0  0  0
    9.0851   -5.2737    0.0000 O   0  0
    9.0699   -8.2737    0.0000 O   0  0
    6.4643   -9.7605    0.0000 O   0  0
    3.8716   -8.2452    0.0000 C   0  0
    2.5774   -7.4868    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11  1  1  0
  8 12  1  0
 13  7  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 18 19  1  1
 20 19  1  6
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 25 26  1  1
 24 27  1  6
 23 28  1  6
 17 29  1  6
 16 30  1  1
 15 31  1  6
 31 32  1  0
  6 33  1  0
  1 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
 37 40  1  0
 41 40  1  1
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 41  1  0
 46 47  1  6
 45 48  1  1
 44 49  1  6
 43 50  1  1
 50 51  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13641

> <plate>
PLATE 001

> <well>
H11

> <supplier_cmpd_name>
Vaccarin

> <ctcr_id>
12610

> <supplier_cmpd_id>
T3881

> <smiles>
c1(cc(=O)c2c(c(c(cc2o1)O)[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)O)CO)O)c1ccc(cc1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Vaccarin,53452-16-7,53452167,HY-N1419,HYN1419,s9230,AKOS030573644,ZINC169724091,CCG-270413,CCG270413,CS-0016850,CS0016850,Y0210,T3881}

> <pdid>
PD065171

> <targets>
{P-Akt,PERK,CD31}

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

> <pubchem_cids>
{71307582}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 25 26  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
   -2.5973    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
   -5.1937    3.0092    0.0000 O   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 C   0  0
   -3.8726    9.7587    0.0000 N   0  0
   -2.5692   10.5028    0.0000 C   0  0
   -1.2740    9.7460    0.0000 O   0  0
   -2.5609   12.0036    0.0000 C   0  0
   -1.2575   12.7476    0.0000 C   0  0
   -1.2492   14.2484    0.0000 C   0  0
    0.0535   14.9921    0.0000 S   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 Cl  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  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 13 21  1  0
 21 22  1  0
 22 10  1  0
  5 23  1  0
 23 24  1  0
 23 25  2  0
 25  2  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13642

> <plate>
PLATE 002

> <well>
A2

> <supplier_cmpd_name>
K-Ras(G12C) Inhibitor 6

> <ctcr_id>
12484

> <supplier_cmpd_id>
T3725

> <smiles>
Clc1ccc(OCC(=O)N2CCC(NC(=O)CCCS)CC2)c(Cl)c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"K-Ras inhibitor"}

> <synonyms>
{"RAS(G12C) INHIBITOR",SW222246-1,SW2222461,"K-Ras(G12C) inhibitor 6","KRas(G12C) inhibitor 6",2060530-16-5,2060530165,MDK30165,"N-(1-(2-(2,4-dichlorophenoxy)acetyl)piperidin-4-yl)-4-mercaptobutanamid
e","N(1(2(2,4dichlorophenoxy)acetyl)piperidin4yl)4mercaptobutanamide","N-(1-((2,4-Dichlorophenoxy)acetyl)piperidin-4-Yl)-4-Sulfanylbutanamide","N(1((2,4Dichlorophenoxy)acetyl)piperidin4Yl)4Sulfanylbut
anamide",CHEMBL4303198,SCHEMBL15,T3725,"K-Ras(G12C) Inhibitor 6"}

> <pdid>
PD021576

> <targets>
{K-Ras}

> <classes>
{MAPK}

> <pubchem_cids>
{71815954}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 25 25  0  0  0  0            999 V2000
   18.1995   -1.4701    0.0000 C   0  0
   16.8989   -0.7228    0.0000 C   0  0
   15.6002   -1.4751    0.0000 C   0  0
   14.2989   -0.7273    0.0000 C   0  0
   13.0002   -1.4796    0.0000 C   0  0
   11.6990   -0.7319    0.0000 C   0  0
   10.4003   -1.4841    0.0000 C   0  0
   10.4015   -2.9850    0.0000 C   0  0
    9.1028   -3.7372    0.0000 C   0  0
    9.1040   -5.2381    0.0000 C   0  0
    7.8053   -5.9903    0.0000 C   0  0
    7.8065   -7.4911    0.0000 C   0  0
    6.5078   -8.2434    0.0000 S   0  0
    6.5090   -9.7442    0.0000 C   0  0
    7.8102  -10.4905    0.0000 C   0  0
    7.8144  -11.9905    0.0000 C   0  0
    6.5175  -12.7442    0.0000 C   0  0
    5.2164  -11.9979    0.0000 C   0  0
    5.2121  -10.4979    0.0000 C   0  0
    3.9087   -9.7539    0.0000 C   0  0
    2.6128  -10.5095    0.0000 O   0  0
    3.9018   -8.2539    0.0000 O   0  0
   10.4038   -5.9866    0.0000 C   0  0
   11.6963    0.7681    0.0000 C   0  0
   16.8963    0.7772    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 10 23  1  0
  6 24  1  0
  2 25  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13643

> <plate>
PLATE 002

> <well>
A3

> <supplier_cmpd_name>
Salirasib

> <ctcr_id>
7609

> <supplier_cmpd_id>
T6163

> <smiles>
CC(=CCC\C(=C/CC\C(=C\CSc1ccccc1C(=O)O)\C)\C)C

> <pd_targets>
{NFKB1,ICMT,TSHR,NFO,CHRM1,PYK,MAPT,HIF1A,CYP3A4,POLB,TRPA1,GMNN,BLM,LMNA,RECQL,FTL,CYP2C9,HSD17B10,CYP1A2}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Membrane receptor","Transcription factor","Ion channel","Unclassified protein","Other nuclear protein",Transferase,"Family A G protein-coupled receptor",Hydrolase,"C
ytochrome P450","Voltage-gated ion channel",Oxidoreductase,"Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Transient receptor potential channel
","Cytochrome P450 family 2","Cytochrome P450 family 1","Glycohormone receptor","Monoamine receptor","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Acetylcholine 
receptor","Cytochrome P450 3A4","Cytochrome P450 2C9","Cytochrome P450 1A1"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","G protein-coupled receptors","Cytochrome P450","Voltage-gated ion channels","Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","CYP3 family","Tr
ansient Receptor Potential channels","CYP2 family: drug metabolising subset","CYP1 family"}

> <pathway_reactome>
{"Immune System","Signal Transduction",Disease,"Neuronal System","Cellular responses to external stimuli",Metabolism,"DNA Repair","Transport of small molecules","Cell Cycle","Vesicle-mediated transpor
t","Cytokine Signaling in Immune system","MAPK family signaling cascades","Infectious disease","Signaling by GPCR","Transmission across Chemical Synapses","Cellular responses to stress","Metabolism of
 lipids","Base Excision Repair","Ion channel transport",Mitotic,"DNA Double-Strand Break Repair","Membrane Trafficking","Biological oxidations","Metabolism of amino acids and derivatives","Signaling b
y Interleukins","MAPK1/MAPK3 signaling","Leishmania infection","GPCR ligand binding","Neurotransmitter receptors and postsynaptic signal transmission","Cellular response to hypoxia","Biosynthesis of s
pecialized proresolving mediators (SPMs)","Resolution of Abasic Sites (AP sites)","Stimuli-sensing channels","Mitotic G1 phase and G1/S transition","Homology Directed Repair","M Phase","trans-Golgi Ne
twork Vesicle Budding","Phase I - Functionalization of compounds","Branched-chain amino acid catabolism","Interleukin-1 family signaling","RAF/MAP kinase cascade","Leishmania parasite growth and survi
val","Class A/1 (Rhodopsin-like receptors)","Activation of NMDA receptors and postsynaptic events","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-deriv
ed SPMs","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","TRP channels","G1/S Transition","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","
Mitotic Metaphase and Anaphase","Golgi Associated Vesicle Biogenesis","Cytochrome P450 - arranged by substrate type","Interleukin-1 signaling","RAS processing","Anti-inflammatory response favouring Le
ishmania parasite infection","Amine ligand-binding receptors","Post NMDA receptor activation events","Biosynthesis of maresins","PCNA-Dependent Long Patch Base Excision Repair","Activation of the pre-
replicative complex","HDR through Homologous Recombination (HRR)","Mitotic Anaphase",Xenobiotics,"MAP3K8 (TPL2)-dependent MAPK1/3 activation","ADORA2B mediated anti-inflammatory cytokines production",
"Muscarinic acetylcholine receptors","Activation of AMPK downstream of NMDARs","Biosynthesis of maresin-like SPMs","Homologous DNA Pairing and Strand Exchange","Nuclear Envelope (NE) Reassembly","CYP2
E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Presynaptic phase of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{TRPA1}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{T6163,nan,Salirasib,"Farnesyl Thiosalicylic Acid"}

> <pdid>
PD012732

> <targets>
{Autophagy,Ras}

> <classes>
{Autophagy,GPCR/G Protein}

> <pubchem_cids>
{92355512}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    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
   -2.5973    1.5031    0.0000 N   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -1.2935    3.7495    0.0000 C   0  0
   -1.2883    5.2495    0.0000 C   0  0
   -2.5848    6.0040    0.0000 C   0  0
   -2.5796    7.5040    0.0000 I   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
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -3.8963   -3.7531    0.0000 C   0  0
   -3.8941   -5.2539    0.0000 C   0  0
   -2.5938   -6.0017    0.0000 O   0  0
   -5.1923   -6.0070    0.0000 C   0  0
   -5.1902   -7.5070    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 O   0  0
    0.0000    3.0000    0.0000 F   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
  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  3
 17  2  1  0
 17 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 20 26  1  0
 26 16  1  0
 26 27  2  0
  5 28  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13644

> <plate>
PLATE 002

> <well>
A4

> <supplier_cmpd_name>
TAK-733

> <ctcr_id>
6829

> <supplier_cmpd_id>
T6692

> <smiles>
CN1C(=O)C(=C(Nc2ccc(I)cc2F)C3=C1N=CN(CC(O)CO)C3=O)F

> <pd_targets>
{MAP2K1,MAP2K2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","STE protein kinase group","STE protein kinase STE7 family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","STE7 family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by NTRKs","Signaling by NTRK1 (TRKA)","Signalling to ERKs","Prolonged ERK activation events","Frs2-mediated activation"}

> <broad_targets>
{MAP2K1}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{SCHEMBL1528609,CHEMBL2131626,HMS3656L03,NCGC00389376-01,NCGC0038937601,AK186819,DA-48192,DA48192,FT-0774097,FT0774097,T6692,S2617,TAK-733}

> <pdid>
PD010918

> <targets>
{MEK}

> <classes>
{MAPK}

> <pubchem_cids>
{67065878}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 61 68  0  0  0  0            999 V2000
    1.7729   -0.8693    0.0000 C   0  0
    2.3878   -1.6578    0.0000 C   0  0
    3.8744   -1.4513    0.0000 C   0  0
    4.7936   -2.6366    0.0000 C   0  0
    6.2798   -2.4333    0.0000 C   0  0
    7.1972   -3.6211    0.0000 N   0  0
    8.6847   -3.4216    0.0000 C   0  0
    9.2581   -2.0355    0.0000 N   0  0
   10.7452   -1.8391    0.0000 C   0  0
   11.6588   -3.0288    0.0000 C   0  0
   11.0864   -4.4099    0.0000 C   0  0
    9.5983   -4.6112    0.0000 N   0  0
   11.9083   -5.6656    0.0000 C   0  0
   11.3761   -7.0672    0.0000 N   0  0
    9.9776   -7.6096    0.0000 C   0  0
    9.7482   -9.0920    0.0000 C   0  0
   10.9171  -10.0319    0.0000 C   0  0
   12.3156   -9.4895    0.0000 C   0  0
   12.5451   -8.0071    0.0000 C   0  0
   13.7998   -7.1864    0.0000 N   0  0
   13.4065   -5.7389    0.0000 C   0  0
   14.3469   -4.5693    0.0000 C   0  0
   15.8373   -4.6872    0.0000 C   0  0
   16.6866   -3.4507    0.0000 C   0  0
   16.0405   -2.0970    0.0000 C   0  0
   16.8928   -0.8617    0.0000 O   0  0
   18.3880   -0.9811    0.0000 C   0  0
   14.5451   -1.9797    0.0000 C   0  0
   13.6958   -3.2161    0.0000 C   0  0
   13.8958   -0.6266    0.0000 C   0  0
   14.7430    0.6113    0.0000 O   0  0
   12.3994   -0.5113    0.0000 N   0  0
   11.7502    0.8418    0.0000 C   0  0
   10.2547    0.9592    0.0000 C   0  0
    9.4054   -0.2772    0.0000 F   0  0
    9.6086    2.3129    0.0000 C   0  0
   10.4579    3.5493    0.0000 C   0  0
   11.9533    3.4320    0.0000 C   0  0
   12.5994    2.0783    0.0000 C   0  0
   14.0948    1.9611    0.0000 F   0  0
    6.8467   -1.0445    0.0000 C   0  0
    8.3332   -0.8378    0.0000 O   0  0
    8.8981    0.5517    0.0000 C   0  0
    5.9275    0.1409    0.0000 C   0  0
    4.4413   -0.0625    0.0000 C   0  0
    3.5216    1.1234    0.0000 N   0  0
    4.0863    2.5131    0.0000 C   0  0
    3.1652    3.6970    0.0000 C   0  0
    1.6794    3.4913    0.0000 C   0  0
    1.1146    2.1016    0.0000 C   0  0
    2.0357    0.9177    0.0000 C   0  0
    0.7578    4.6757    0.0000 N   0  0
    1.3202    6.0664    0.0000 C   0  0
    0.3973    7.2488    0.0000 C   0  0
   -1.0882    7.0407    0.0000 N   0  0
   -1.6508    5.6501    0.0000 C   0  0
   -0.7278    4.4677    0.0000 C   0  0
   -2.0117    8.2237    0.0000 S   0  0
   -3.4972    8.0151    0.0000 C   0  0
   -1.4501    9.6146    0.0000 O   0  0
   -2.9353    9.4057    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  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  1  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 21  1  0
 21 13  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  2  0
 29 22  1  0
 28 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 34 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 33  1  0
 39 40  1  0
  5 41  2  0
 41 42  1  0
 42 43  1  0
 41 44  1  0
 44 45  2  0
 45  3  1  0
 45 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 51 46  1  0
 49 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 56  1  0
 56 57  1  0
 57 52  1  0
 55 58  1  0
 58 59  1  0
 58 60  2  0
 58 61  2  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13645

> <plate>
PLATE 002

> <well>
A5

> <supplier_cmpd_name>
GSK1904529A

> <ctcr_id>
5764

> <supplier_cmpd_id>
T6003

> <smiles>
CCc1cc(Nc2nccc(n2)c3n4ccccc4nc3c5ccc(OC)c(c5)C(=O)Nc6c(F)cccc6F)c(OC)cc1N7CCC(CC7)N8CCN(CC8)[S](C)(=O)=O

> <pd_targets>
{INSR,IGF1R,AURKB,MAPK14,FER,FRK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","CMGC protein kinase group","Tyrosine protein kinase InsR family","Other protein kinase AUR family","CMGC protein
 kinase MAPK family","Tyrosine protein kinase Fer family","Tyrosine protein kinase Src family","CMGC protein kinase p38 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TK: Tyrosine kinase","Other protein kinases","Mitogen-activated prot
ein kinases (MAP kinases)","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) family","p38 subfamily","Non-receptor tyrosine kinases (nRTKs)","Type II RTKs: Insulin receptor family","Fer family",
"Src family"}

> <pathway_reactome>
{"Signal Transduction","Cell Cycle","Immune System","Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases",Mitotic,"Innate Immune System","PIP3 activates AKT signaling
","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","M Phase","Toll-like Receptor Cascades","Signaling by SCF-KIT","Negative regulation of the PI3K/AKT network","IGF1R signaling casc
ade","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","PTEN Regulation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","IRS-related events triggered by IGF1R","Mitotic Anaphase
","MyD88 cascade initiated on plasma membrane","Regulation of PTEN stability and activity","Separation of Sister Chromatids","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinas
es","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{IGF1R,INSR}

> <broad_moa>
{"IGF-1 inhibitor","insulin growth factor receptor inhibitor","insulin receptor ligand"}

> <synonyms>
{GSK1904529A,1089283-49-7,1089283497,GSK-1904529A,"GSK 1904529A",CHEMBL466397,PubChem22431,cc-35,cc35,MLS006010966,SCHEMBL309890,C44H47F2N9O5S,CHEBI:91401,DTXSID70648776,EX-A008,EXA008,HMS3295G13,HMS3
654G19,AMY24202,AOB87389,"IGF-1R inhibitor GS1904529A","IGF1R inhibitor GS1904529A",ABP000158,BD,T6003,S1093}

> <pdid>
PD011145

> <targets>
{IGF-1R}

> <classes>
{}

> <pubchem_cids>
{25124816}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0031    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
   -9.0971    0.7319    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 C   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
  -10.3884   -1.5226    0.0000 O   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3032    3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
  5 22  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13646

> <plate>
PLATE 002

> <well>
A6

> <supplier_cmpd_name>
Loureirin B

> <ctcr_id>
11799

> <supplier_cmpd_id>
T3876

> <smiles>
COc1cc(c(c(c1)OC)CCC(=O)c1ccc(cc1)O)OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Loureirin B",119425-90-0,119425900,"1-(4-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one","1(4hydroxyphenyl)3(2,4,6trimethoxyphenyl)propan1one",UNII-P47L69798O,UNIIP47L69798O,LOUREIRIN-B,LOURE
IRINB,P47L69798O,"1-Propanone, 1-(4-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)-","1Propanone, 1(4hydroxyphenyl)3(2,4,6trimethoxyphenyl)",Propan-1-one,Propan1one,1-(4-hydroxyphenyl)-3-(2,1(4hydroxypheny
l)3(2,4,6-trimethoxyp,6trimethoxyp,T3876}

> <pdid>
PD065079

> <targets>
{ERK,JNK,PAI-1,Potassium Channel}

> <classes>
{MAPK,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease,Stem Cells,MAPK/ERK Pathway,Stem Cell/Wnt}

> <pubchem_cids>
{189670}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
    5.1983   -3.0012    0.0000 C   0  0
    5.1978   -4.5012    0.0000 O   0  0
    3.8985   -2.2508    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -2.1880    3.7544    0.0000 C   0  0
   -2.6518    5.1810    0.0000 C   0  0
   -1.6483    6.2959    0.0000 C   0  0
   -0.1810    5.9844    0.0000 C   0  0
    0.2828    4.5579    0.0000 C   0  0
   -0.7207    3.4429    0.0000 C   0  0
   -4.6589    2.9478    0.0000 N   0  0
   -5.1253    4.3743    0.0000 C   0  0
   -6.5925    4.6864    0.0000 C   0  0
   -7.0558    6.1131    0.0000 C   0  0
   -6.0520    7.2277    0.0000 C   0  0
   -4.5848    6.9156    0.0000 C   0  0
   -4.1215    5.4889    0.0000 C   0  0
   -6.5126    8.6561    0.0000 C   0  0
   -5.5066    9.7698    0.0000 N   0  0
   -5.9670   11.1974    0.0000 C   0  0
   -4.0400    9.4552    0.0000 C   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4985   -2.2516    0.0000 N   0  0
    7.7983   -3.0020    0.0000 C   0  0
    9.0978   -2.2529    0.0000 C   0  0
  1  2  2  0
  1  3  1  0
  3  4  3  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 10 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 21 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
  9 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31  8  1  0
 31 32  2  0
 32  5  1  0
  1 33  1  0
 33 34  1  0
 34 35  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13647

> <plate>
PLATE 002

> <well>
A7

> <supplier_cmpd_name>
BI-847325

> <ctcr_id>
11631

> <supplier_cmpd_id>
T6785

> <smiles>
C(=O)(C#Cc1ccc2/C(=C(\c3ccccc3)/Nc3ccc(cc3)CN(C)C)/C(=O)Nc2c1)NCC

> <pd_targets>
{AURKB-B,MAP2K1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Other protein kinase group","STE protein kinase group","Other protein kinase AUR family","STE protein kinase STE7 family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","STE7 family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by NTRKs","Signaling by NTRK1 (TRKA)","Signalling to ERKs","Prolonged ERK activation events","Frs2-mediated activation"}

> <broad_targets>
{AURKA,AURKB,AURKC,MAP2K1,MAP2K2}

> <broad_moa>
{"Aurora kinase inhibitor","MEK inhibitor"}

> <synonyms>
{I84732,1207293-36-4,1207293364,BI-847325,BI847325,hylpropiolamide,"BI 847325",5U5,SCHEMBL4081822,CHEMBL3699142,CHEMBL4303500,SCHEMBL10326049,BDBM142744,BCP15994,EX-A1727,EXA1727,NSC799360,s7843,AKOS0
30238788,ZINC143989489,ZINC143989696,ACN-037512,ACN037512,CCG-269395,CCG269395,CS-6291,CS6291,NSC-799360,SB2,T6785}

> <pdid>
PD017275

> <targets>
{MEK,"Aurora Kinase","Aurora A (Human)","Aurora B (Xenopus laevis)","Aurora C (Human)",MEK1,MEK2,Apoptosis}

> <classes>
{Cell Cycle/Checkpoint,MAPK,Chromatin/Epigenetic,Apoptosis,Cell Cycle/DNA Damage,Epigenetics,MAPK/ERK Pathway}

> <pubchem_cids>
{135567102}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 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>
TargetMol_L1400_MAPK inhibitor library

> <id>
13648

> <plate>
PLATE 002

> <well>
A8

> <supplier_cmpd_name>
Necrosulfonamide

> <ctcr_id>
8265

> <supplier_cmpd_id>
T6904

> <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}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 30 32  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5973    1.5031    0.0000 N   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8912    5.2578    0.0000 O   0  0
   -5.1894    6.0109    0.0000 C   0  0
   -5.1895    7.5109    0.0000 C   0  0
   -6.4885    8.2609    0.0000 C   0  0
   -7.7876    7.5110    0.0000 C   0  0
   -9.0866    8.2610    0.0000 Cl  0  0
   -7.7876    6.0110    0.0000 C   0  0
   -6.4886    5.2609    0.0000 C   0  0
   -1.2948    3.7516    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8912   -5.2578    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    7.7875   -7.5110    0.0000 C   0  0
    9.0866   -8.2610    0.0000 Cl  0  0
    7.7876   -6.0110    0.0000 C   0  0
    6.4885   -5.2610    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  3
 13 14  1  0
 14 15  2  3
 15 16  1  0
 15 17  1  0
 17 18  2  3
 18 12  1  0
  9 19  2  0
  7 20  1  0
 20 21  1  0
 21  4  1  0
  2 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  3
 25 26  1  0
 26 27  2  3
 27 28  1  0
 27 29  1  0
 29 30  2  3
 30 24  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13649

> <plate>
PLATE 002

> <well>
A9

> <supplier_cmpd_name>
ISRIB (trans-isomer)

> <ctcr_id>
11430

> <supplier_cmpd_id>
T6183

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{EIF2A,EIF2AK3}

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

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

> <pdid>
PD012842

> <targets>
{PERK}

> <classes>
{MAPK}

> <pubchem_cids>
{1011240}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    5.1894   -6.0109    0.0000 N   0  0
    5.1895   -7.5109    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    7.7875   -7.5110    0.0000 C   0  0
    7.7876   -6.0110    0.0000 C   0  0
    6.4885   -5.2610    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 C   0  0
    0.6890    4.0818    0.0000 C   0  0
    2.1578    3.7735    0.0000 C   0  0
    2.7474    2.4081    0.0000 C   0  0
    4.2391    2.5658    0.0000 N   0  0
    4.5496    4.0325    0.0000 C   0  0
    3.2501    4.7817    0.0000 C   0  0
    3.2491    6.2817    0.0000 C   0  0
    4.5477    7.0325    0.0000 C   0  0
    5.8472    6.2833    0.0000 C   0  0
    5.8482    4.7833    0.0000 C   0  0
    4.5498    8.5333    0.0000 O   0  0
    5.8495    9.2823    0.0000 C   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.5533    4.4223    0.0000 O   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  1  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 17  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 15 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 14  2  0
 31 32  1  0
 32 33  2  0
 33 12  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13650

> <plate>
PLATE 002

> <well>
A10

> <supplier_cmpd_name>
DEL-22379

> <ctcr_id>
11974

> <supplier_cmpd_id>
T6818

> <smiles>
N1(CCCCC1)CCC(=O)Nc1cc2/C(=C\c3c[nH]c4c3cc(cc4)OC)/C(=O)Nc2cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{EL2237,DEL-22379,DEL22379,181223-80-3,181223803,SCHEMBL6266403,SCHEMBL8428761,ZINC838770,AC-29889,AC29889,AS-56081,AS56081,T6818}

> <pdid>
PD021514

> <targets>
{ERK}

> <classes>
{MAPK}

> <pubchem_cids>
{67583183}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.7237   -2.1806    0.0000 N   0  0
    1.8384   -3.1843    0.0000 C   0  0
    1.5273   -4.6502    0.0000 C   0  0
    0.1007   -5.1138    0.0000 C   0  0
   -1.0140   -4.1101    0.0000 C   0  0
   -0.7022   -2.6429    0.0000 C   0  0
   -1.8166   -1.6389    0.0000 O   0  0
   -2.4404   -4.5769    0.0000 N   0  0
   -2.7504   -6.0453    0.0000 C   0  0
   -4.1753   -6.5139    0.0000 N   0  0
   -4.4821   -7.9822    0.0000 C   0  0
   -3.3639   -8.9820    0.0000 N   0  0
   -1.9389   -8.5135    0.0000 C   0  0
   -1.6322   -7.0452    0.0000 C   0  0
   -0.8207   -9.5134    0.0000 N   0  0
    2.6422   -5.6538    0.0000 C   0  0
    3.1375   -2.4342    0.0000 C   0  0
    4.5078   -3.0443    0.0000 O   0  0
    2.8256   -0.9670    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  1  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  7  1  0
 12 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
 19 21  1  0
  9 22  1  0
  8 23  1  0
 23 24  2  0
 23 25  1  0
 25  1  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13651

> <plate>
PLATE 002

> <well>
A11

> <supplier_cmpd_name>
eFT508

> <ctcr_id>
13447

> <supplier_cmpd_id>
T3468

> <smiles>
C12(CCCCC1)n1c(c(cc(c1=O)Nc1ncnc(c1)N)C)C(=O)N2

> <pd_targets>
{STK17A,CLK4,MKNK2,MKNK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CMGC protein kinase group","CAMK protein kinase DAPK family","CMGC protein kinase CLK family","CAMK protein kinase MAPKAPK family","CAMK pr
otein kinase MNK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Death-associated kinase (DAPK) family","CLK family","MAPK-Activate
d Protein Kinase (MAPKAPK) family","MKN subfamily"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by FGFR","Signaling by FGFR4","Negative regulation of FGFR4 signaling","Spry regulation of FGF signaling"}

> <broad_targets>
{}

> <broad_moa>
{"MAPK-interacting kinase inhibitor"}

> <synonyms>
{eFT508,Tomivosertib,EFT-508,EFT508,1849590-01-7,1849590017,"Tomivosertib free base",UNII-U2H19X4WBV,UNIIU2H19X4WBV,U2H19X4WBV,CHEMBL4073443,"EFT 508","1849590-01-7 (free base)","1849590017 (free base
)","eFT508 HCl","eFT-508 (eFT508)","eFT508 (eFT508)","Tomivosertib (INN)","Tomivosertib (USAN)","eFT508; Tomivosertib",Tomiv,T3468}

> <pdid>
PD057001

> <targets>
{MNK,MNK1,MNK2,PD-1/PD-L1}

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

> <pubchem_cids>
{118598754}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 36 40  0  0  1  0            999 V2000
   15.4089   -1.4844    0.0000 N   0  0
   14.3320   -2.5285    0.0000 C   0  0
   14.6982   -3.9831    0.0000 O   0  0
   12.8886   -2.1173    0.0000 N   0  0
   12.5203   -0.6632    0.0000 C   0  0
   11.0769   -0.2551    0.0000 C   0  0
   10.0017   -1.3010    0.0000 C   0  0
   10.3700   -2.7551    0.0000 C   0  0
   11.8135   -3.1632    0.0000 C   0  0
    8.5566   -0.8956    0.0000 C   0  0
    7.4824   -1.9437    0.0000 C   0  0
    7.8532   -3.3972    0.0000 O   0  0
    6.0373   -1.5383    0.0000 N   0  0
    4.9622   -2.5843    0.0000 C   0  0
    3.5188   -2.1762    0.0000 C   0  0
    3.1484   -0.7186    0.0000 C   0  0
    4.2257    0.3239    0.0000 C   0  0
    5.6691   -0.0842    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0  1  0  0  0
    1.3514    1.0778    0.0000 C   0  0
    2.5913    1.9239    0.0000 N   0  0
    2.4792    3.4197    0.0000 C   0  0
    1.1278    4.0705    0.0000 C   0  0
    1.0157    5.5663    0.0000 Br  0  0
   -0.1116    3.2255    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.5000   -2.8577    0.0000 C   0  0
   -0.7500   -4.1567    0.0000 C   0  0
   -1.5000   -5.4558    0.0000 Cl  0  0
    0.7500   -4.1567    0.0000 C   0  0
    1.5000   -2.8577    0.0000 C   0  0
    3.0000   -2.8580    0.0000 Br  0  0
    0.7500   -1.5574    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 19 16  1  6
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 20  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
 33 34  1  0
 34 35  1  0
 34 36  2  0
 36 19  1  0
 36 29  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13652

> <plate>
PLATE 002

> <well>
B2

> <supplier_cmpd_name>
Lonafarnib

> <ctcr_id>
7529

> <supplier_cmpd_id>
T6302

> <smiles>
NC(=O)N1CCC(CC1)CC(=O)N2CCC(CC2)[C@H]3c4ncc(Br)cc4CCc5cc(Cl)cc(Br)c35

> <pd_targets>
{KRAS,HRAS,FNTA,FNTB,NRAS,ABCB1}

> <pathway_gtopdb>
{"Unclassified protein","Other cytosolic protein",Enzyme,Transporter,Transferase,"Primary active transporter","ATP-binding cassette","ABCB subfamily"}

> <pathway_chembl>
{Enzymes,Transporters,"3.6.5.2 Small monomeric GTPases","ATP-binding cassette transporter family","2.5.1.58 Protein farnesyltransferase","RAS subfamily","ABCB subfamily"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Signal Transduction","Transmission across Chemical Synapses","Abacavir transport and metabolism","Signaling by GPCR","Neurotransmitter receptors and postsynaptic signal 
transmission","Abacavir transmembrane transport","GPCR downstream signalling","Activation of NMDA receptors and postsynaptic events","G alpha (i) signalling events","Post NMDA receptor activation even
ts","Visual phototransduction","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","The phototransduction cascade","Ras activation upon Ca2+ influx through NMDA receptor
",Inactivation,"recovery and regulation of the phototransduction cascade"}

> <broad_targets>
{FNTA,HRAS,KRAS,NRAS}

> <broad_moa>
{"farnesyltransferase inhibitor"}

> <synonyms>
{cc-590,cc590,MLS006010423,MLS006011106,GTPL8024,"Lonafarnib, >=98 (HPLC)",BDBM14459,CHEBI:47097,DTXSID90172927,BCP07027,EX-A1630,EXA1630,ZINC3950115,NSC719467,s2797,AKOS005145760,CCG-270312,CCG270312
,CS-0792,CS0792,DB06448,NSC-719467,SB16694,NCGC00346707-01,NCGC0034670701,AC-32661,AC32661,AS-56182,AS56182,T6302,S2797,Lonafarnib}

> <pdid>
PD010566

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{148195}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 27 30  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 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.9511   -0.8815    0.0000 N   0  0
   -4.9530   -1.9978    0.0000 C   0  0
   -4.2010   -3.2957    0.0000 N   0  0
   -2.7343   -2.9815    0.0000 C   0  0
   -1.6115   -3.9772    0.0000 C   0  0
   -0.1605   -3.6178    0.0000 C   0  0
    0.8791   -4.6991    0.0000 C   0  0
    0.4626   -6.1401    0.0000 C   0  0
    1.5022   -7.2213    0.0000 F   0  0
   -0.9936   -6.4998    0.0000 C   0  0
   -2.0333   -5.4186    0.0000 C   0  0
   -4.2568    0.5878    0.0000 C   0  0
   -3.2235    1.6679    0.0000 C   0  0
   -3.6446    3.1076    0.0000 C   0  0
   -5.1020    3.4627    0.0000 C   0  0
   -5.5231    4.9024    0.0000 O   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  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  9  2  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
 10 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
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13653

> <plate>
PLATE 002

> <well>
B3

> <supplier_cmpd_name>
SB239063

> <ctcr_id>
4949

> <supplier_cmpd_id>
T6976

> <smiles>
COc1nccc(n1)c2n(cnc2c3ccc(F)cc3)C4CCC(O)CC4

> <pd_targets>
{MAPK14,LCK,MAPK11,PRKCA,MAPK9,EGFR,RAF1,CYP2D6,CYP2C9,CSNK1D,MINK1,KDM4E,MAP4K4,PRKD2,CSNK1A1,CYP2C19,CYP1A2,PRKD3,MAP4K5,RORC,FRK}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor",Kinase,"Cytochrome P450",Eraser,"Nuclear receptor","Protein Kinase","Cytochrome P450 family 2","Lysine demethylase","Cytochrome P450 family 1","Nu
clear hormone receptor subfamily 1","CMGC protein kinase group","TK protein kinase group","AGC protein kinase group","TKL protein kinase group","Cytochrome P450 family 2D","Cytochrome P450 family 2C",
"CK1 protein kinase group","STE protein kinase group","Jumonji domain-containing","CAMK protein kinase group","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 1 group F","CMGC protein k
inase MAPK family","Tyrosine protein kinase Src family","AGC protein kinase PKC family","Tyrosine protein kinase EGFR family","TKL protein kinase RAF family","Cytochrome P450 2D6","Cytochrome P450 2C9
","CK1 protein kinase CK1 family","STE protein kinase STE20 family","CAMK protein kinase PKD family","Cytochrome P450 2C19","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 1 group F member 3
","CMGC protein kinase p38 subfamily","AGC protein kinase PKC alpha subfamily","CMGC protein kinase JNK subfamily","STE protein kinase MSN subfamily","STE protein kinase KHS subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Cytochrome P450","Chromatin modifying enzymes","Nuclear hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor ki
nases","AGC: Containing PKA",PKG,"PKC families","CYP2 family: drug metabolising subset","CK1: Casein kinase 1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","1.14.11.- Histone d
emethylases","CAMK: Calcium/calmodulin-dependent protein kinases","CYP1 family","1F. Retinoic acid-related orphans","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","Protein kin
ase C (PKC) family","TKL: Tyrosine kinase-like","Casein kinase 1 (CK1) family","STE20 family","Protein kinase D (PKD) family","p38 subfamily","Non-receptor tyrosine kinases (nRTKs)","Delta subfamily",
"JNK subfamily","Receptor tyrosine kinases (RTKs)","RAF family","MSN subfamily","KHS subfamily","Src family","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Immune System",Disease,"Signal Transduction",Metabolism,"Cell Cycle","Cellular responses to external stimuli","Gene expression (Transcription)","Innate Immune System","Infectious disease","Signaling
 by GPCR","MAPK family signaling cascades","Biological oxidations",Mitotic,"Cellular responses to stress","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second 
messengers","RNA Polymerase II Transcription","Intracellular signaling by second messengers","Toll-like Receptor Cascades","HIV Infection","GPCR downstream signalling","MAPK1/MAPK3 signaling","Phase I
 - Functionalization of compounds","Mitotic G2-G2/M phases","Cellular Senescence","Sphingolipid metabolism","Signaling by WNT in cancer","Generic Transcription Pathway","PIP3 activates AKT signaling",
"Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","G alpha (i) signalling events","G alpha (q) signalling events","RAF/MAP kinase cascade","Cytochrome P450 - arranged by substra
te type","G2/M Transition","Oxidative Stress Induced Senescence","Sphingolipid de novo biosynthesis","Signaling by AMER1 mutants","Transcriptional regulation by RUNX3","PTEN Regulation","MyD88 cascade
 initiated on plasma membrane","The role of Nef in HIV-1 replication and disease pathogenesis","Visual phototransduction","Gastrin-CREB signalling pathway via PKC and MAPK","Negative regulation of MAP
K pathway",Xenobiotics,"Centrosome maturation","Truncations of AMER1 destabilize the destruction complex","RUNX3 Regulates Immune Response and Cell Migration","Regulation of PTEN stability and activit
y","MAP kinase activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","The phototransduction cascade","EGFR Transactivation by Gastrin","Negative 
feedback regulation of MAPK pathway","CYP2E1 reactions","Loss of proteins required for interphase microtubule organization from the centrosome","Aromatic amines can be N-hydroxylated or N-dealkylated 
by CYP1A2","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation",Inactivation,"recovery and regulation of the phototransduction cascade","Loss of Nlp from mitotic c
entrosomes","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{MAPK11,MAPK14,PTGS2}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{"SB 239063",193551-21-2,193551212,SB239063,SB-239063,UNII-HII3DC8CPI,UNIIHII3DC8CPI,CHEMBL97162,HII3DC8CPI,CHEMBL4166018,CHEBI:90681,MFCD03792786,Kinome_3168,Kinome3168,Kinome-3168,"Kinome 3168",Tocr
is-1962,Tocris1962,cc-465,cc465,MLS006010690,SCHEMBL173595,SCHEMBL173596,CHEMBL256835,SCHEMBL4918359,SCHEMBL13933075,CHEBI:91347,"EMD 559404",1962,559404}

> <pdid>
PD013030

> <targets>
{"p38 MAPK","SB 239063"}

> <classes>
{}

> <pubchem_cids>
{5166}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    5.1932   -3.0130    0.0000 C   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 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 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
    5.1973    2.9959    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
   -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
    7.6980   -2.2452    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  4 12  2  0
 12 13  1  0
 13 14  2  0
 14  2  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
 19 22  1  0
 22 23  1  0
 23 24  1  0
 22 25  2  0
 25 26  1  0
 26 17  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 16  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13654

> <plate>
PLATE 002

> <well>
B4

> <supplier_cmpd_name>
APS-2-79

> <ctcr_id>
12365

> <supplier_cmpd_id>
T6760

> <smiles>
Cc1cc(Oc2ccccc2)ccc1Nc1c2cc(OC)c(OC)cc2ncn1.Cl

> <pd_targets>
{KSR2}

> <pathway_gtopdb>
{Enzyme,Transferase}

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

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Oncogenic MAPK signaling","Signaling by RAS mutants","Signaling downstream of RAS mutants"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{PS27,2002381-31-7,2002381317,"APS-2-79 hydrochloride","APS279 hydrochloride","APS-2-79 HCl","APS279 HCl","APS-2-79 (hydrochloride)","APS279 (hydrochloride)","6,7-dimethoxy-N-(2-methyl-4-phenoxyphenyl
)quinazolin-4-amine hydrochloride","6,7dimethoxyN(2methyl4phenoxyphenyl)quinazolin4amine hydrochloride",SCHEMBL18153640,BCP23567,EX-A2469,EXA2469,s8355,CCG-268926,CCG268926,CS-6151,CS6151,HY-1006,HY10
06,T6760,APS-2-79}

> <pdid>
PD063742

> <targets>
{MEK,KSR2}

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

> <pubchem_cids>
{122177134}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 21 20  0  0  1  0            999 V2000
    7.5973    0.8802    0.0000 Cl  0  5
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0  2  0  0  0
   -4.0317   -0.7359    0.0000 N   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -6.2524    0.2436    0.0000 C   0  0  1  0  0  0
   -7.7447    0.3952    0.0000 O   0  0
   -5.2526    1.3618    0.0000 C   0  0  2  0  0  0
   -5.5610    2.8279    0.0000 O   0  0
   -6.9870    3.2956    0.0000 C   0  0
   -8.1042    2.2947    0.0000 C   0  0
   -7.2957    4.7635    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.0973    0.8802    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  9  8  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  1
 12 14  1  0
 14  9  1  0
 14 15  1  6
 15 16  1  0
 16 17  1  0
 16 18  2  0
  7 19  1  0
 19 20  2  0
 20  4  1  0
M  CHG  2   1  -1  21   1
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13655

> <plate>
PLATE 002

> <well>
B5

> <supplier_cmpd_name>
Anisomycin

> <ctcr_id>
932

> <supplier_cmpd_id>
T6758

> <smiles>
[Cl-].COc1ccc(C[C@@H]2NC[C@@H](O)[C@@H]2OC(C)=O)cc1.[H+]

> <pd_targets>
{LMGT2,HSF1,SLC2A1,REP,HT1,RORC}

> <pathway_gtopdb>
{Transporter,"Other cytosolic protein",Enzyme,"Transcription factor","Electrochemical transporter","Nuclear receptor","SLC superfamily of solute carriers","Nuclear hormone receptor subfamily 1","SLC02
 family of hexose and sugar alcohol transporters","Nuclear hormone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Transporters,"Other protein targets",Receptors,"SLC superfamily of solute carriers","Anti-infective targets","Nuclear hormone receptors","SLC2 family of hexose and sugar alcohol transporters","Viral 
protein targets","1F. Retinoic acid-related orphans","Class I transporters","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Disease,"Gene expression (Transcription)","Cellular responses to stress","Disorders of transmembrane transporters","Infectious disease","RNA Polymerase II Tra
nscription","Cellular response to heat stress","SLC transporter disorders","SARS-CoV Infections","Generic Transcription Pathway","HSF1-dependent transactivation","Defective SLC2A1 causes GLUT1 deficie
ncy syndrome 1 (GLUT1DS1)","SARS-CoV-1 Infection","Transcriptional regulation by RUNX3","Attenuation phase","SARS-CoV-1 Genome Replication and Transcription","RUNX3 Regulates Immune Response and Cell 
Migration","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
{NHP2L1,RPL10L,RPL11,RPL13A,RPL15,RPL19,RPL23,RPL23A,RPL26L1,RPL3,RPL37,RPL8,RSL24D1}

> <broad_moa>
{"DNA synthesis inhibitor"}

> <synonyms>
{UNII-6CQU2V295F,UNII6CQU2V295F,6CQU2V295F,22862-75-5,22862755,"Anisomycin, hydrochloride",NSC147340,"NSC 147340",MLS002702945,"ANISOMYCIN - HCL","ANISOMYCIN  HCL",SCHEMBL1003579,CHEMBL1998740,DTXSID0
0177403,NSC-147340,3,2-(p-methoxybenzyl)-,2(pmethoxybenzyl),3-acetate,3acetate,hydrochloride,cis-2,cis2,trans-3,trans3,4,T6758,Anisomycin}

> <pdid>
PD005847

> <targets>
{JNK,Antibiotic,Apoptosis,Bacterial,"DNA/RNA Synthesis"}

> <classes>
{Anti-infection,Apoptosis,Cell Cycle/DNA Damage,MAPK/ERK Pathway}

> <pubchem_cids>
{462385}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
    9.4354   -7.1382    0.0000 C   0  0
    9.0116   -5.6993    0.0000 C   0  0
    7.5536   -5.3469    0.0000 C   0  0
    7.1297   -3.9080    0.0000 C   0  0
    8.1609   -2.8260    0.0000 C   0  0
    9.6219   -3.1739    0.0000 C   0  0
   10.0458   -4.6128    0.0000 C   0  0
    7.8525   -1.3573    0.0000 N   0  0
    8.8523   -0.2390    0.0000 N   0  0
    8.0978    1.0574    0.0000 C   0  0
    6.6317    0.7404    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8912    5.2578    0.0000 N   0  0
   -5.1876    6.0124    0.0000 C   0  0
   -5.1824    7.5124    0.0000 C   0  0
   -3.8808    8.2579    0.0000 O   0  0
   -2.5844    7.5034    0.0000 C   0  0
   -2.5896    6.0034    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    8.7025    2.4282    0.0000 C   0  0
   10.1936    2.5911    0.0000 C   0  0
    7.8162    3.6384    0.0000 C   0  0
    9.3071    3.8009    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  8  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 20 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 17  1  0
 35 30  1  0
 10 36  1  0
 36 37  1  0
 36 38  1  0
 36 39  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13656

> <plate>
PLATE 002

> <well>
B6

> <supplier_cmpd_name>
Doramapimod

> <ctcr_id>
2076

> <supplier_cmpd_id>
T6277

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

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

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

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

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

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

> <broad_moa>
{"p38 MAPK inhibitor"}

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

> <pdid>
PD003343

> <targets>
{"p38 MAPK"}

> <classes>
{MAPK}

> <pubchem_cids>
{156422}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    6.3028   -4.8211    0.0000 C   0  0
    4.8111   -4.6641    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 S   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    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
   -1.2948   -3.7517    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8934   -5.2570    0.0000 C   0  0
   -5.1924   -6.0071    0.0000 C   0  0
   -6.4914   -5.2571    0.0000 C   0  0
   -6.4915   -3.7571    0.0000 C   0  0
   -5.1925   -3.0071    0.0000 C   0  0
    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 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    7.5955    2.7333    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  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
 10 20  2  0
 20  6  1  0
  5 21  2  0
 21 22  1  0
 22  3  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
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13657

> <plate>
PLATE 002

> <well>
B7

> <supplier_cmpd_name>
TAK-715

> <ctcr_id>
4971

> <supplier_cmpd_id>
T6150

> <smiles>
CCc1sc(c2ccnc(NC(=O)c3ccccc3)c2)c(n1)c4cccc(C)c4

> <pd_targets>
{MAPK9,MAPK11,SLK,MAPK14,KDR,CSNK1D,EGFR,PRKD3,CSNK1A1,MAP4K5,ALK,MAP4K4,CSNK1G3,MAP3K20,CSNK1G1,MAPK8,IKBKB,CSNK1G2,FRK,MINK1,PTK6,FLT4,ERBB4,PRKD2,MAPK12,MAPK13}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","STE protein kinase group","TK protein kinase group","CK1 protein kinase group","CAMK protein kinase group","TKL protein kinase group","Othe
r protein kinase group","CMGC protein kinase MAPK family","STE protein kinase STE20 family","Tyrosine protein kinase VEGFR family","CK1 protein kinase CK1 family","Tyrosine protein kinase EGFR family"
,"CAMK protein kinase PKD family","TKL protein kinase STKR family","TKL protein kinase MLK family","Other protein kinase IKK family","Tyrosine protein kinase Src family","CMGC protein kinase JNK subfa
mily","CMGC protein kinase p38 subfamily","STE protein kinase SLK subfamily","STE protein kinase KHS subfamily","TKL protein kinase STKR Type 1 subfamily","STE protein kinase MSN subfamily","CK1 prote
in kinase CK1-g","TKL protein kinase MLK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Receptor kinases",
"CK1: Casein kinase 1","CAMK: Calcium/calmodulin-dependent protein kinases","Mitogen-activated protein kinases (MAP kinases)","STE20 family","TK: Tyrosine kinase","Casein kinase 1 (CK1) family","Prote
in kinase D (PKD) family","TKL: Tyrosine kinase-like","Other protein kinases","JNK subfamily","p38 subfamily","SLK subfamily","Receptor tyrosine kinases (RTKs)","KHS subfamily","MSN subfamily","Mixed 
Lineage Kinase (MLK) family","IKK family","Non-receptor tyrosine kinases (nRTKs)","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type I RTKs: ErbB (epidermal growth factor)
 receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","MLK subfamily","Src family"}

> <pathway_reactome>
{"Immune System","Signal Transduction","Cell Cycle",Metabolism,Disease,"Cellular responses to external stimuli","Neuronal System","Innate Immune System","Signaling by Receptor Tyrosine Kinases",Mitoti
c,"Signaling by GPCR","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second messengers","Cellular responses to stress","Intracellular signaling by second messen
gers","Transmission across Chemical Synapses","Toll-like Receptor Cascades","Signaling by VEGF","Mitotic G2-G2/M phases","GPCR downstream signalling","Sphingolipid metabolism","Signaling by WNT in can
cer","Cellular Senescence","PIP3 activates AKT signaling","Mitotic G1 phase and G1/S transition","Neurotransmitter receptors and postsynaptic signal transmission","Toll Like Receptor 5 (TLR5) Cascade"
,"VEGFA-VEGFR2 Pathway","G2/M Transition","G alpha (q) signalling events","Sphingolipid de novo biosynthesis","Signaling by AMER1 mutants","Oxidative Stress Induced Senescence","Toll Like Receptor 4 (
TLR4) Cascade","PTEN Regulation","G1 Phase","VEGF ligand-receptor interactions","Activation of NMDA receptors and postsynaptic events","MyD88 cascade initiated on plasma membrane","VEGFR2 mediated cel
l proliferation","Centrosome maturation","Gastrin-CREB signalling pathway via PKC and MAPK","Truncations of AMER1 destabilize the destruction complex","MyD88-independent TLR4 cascade","Regulation of P
TEN stability and activity","Cyclin D associated events in G1","VEGF binds to VEGFR leading to receptor dimerization","Post NMDA receptor activation events","MAP kinase activation","Loss of proteins r
equired for interphase microtubule organization from the centrosome","EGFR Transactivation by Gastrin","TRIF(TICAM1)-mediated TLR4 signaling","Long-term potentiation","MAPK targets/ Nuclear events med
iated by MAP kinases","Loss of Nlp from mitotic centrosomes","IKK complex recruitment mediated by RIP1","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{MAPK14}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{AK71,TAK-715,TAK715,303162-79-0,303162790,"TAK 715",N-(4-(2-ethyl-4-(m-tolyl)thiazol-5-yl)pyridin-2-yl)benzamide,N(4(2ethyl4(mtolyl)thiazol5yl)pyridin2yl)benzamide,UNII-WE92U03C5Z,UNIIWE92U03C5Z,"Ben
zamide, N-(4-(2-ethyl-4-(3-methylphenyl)-5-thiazolyl)-2-pyridinyl)-","Benzamide, N(4(2ethyl4(3methylphenyl)5thiazolyl)2pyridinyl)",N-(4-(2-ethyl-4-(3-methylphenyl)-1,N(4(2ethyl4(3methylphenyl)1,3-thia
zol-5-yl)pyridin-2,3thiazol5yl)pyridin2,T6150,SY-TAK-715,S2928}

> <pdid>
PD010510

> <targets>
{"p38 MAPK","Casein Kinase"}

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

> <pubchem_cids>
{9952773}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 18 20  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.2521   -4.3116    0.0000 C   0  0
   -6.7433   -4.1499    0.0000 N   0  0
   -7.0504   -2.6817    0.0000 C   0  0
   -5.7489   -1.9360    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 12  1  0
 10 17  1  0
 17  6  1  0
 17 18  2  0
 18  3  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13658

> <plate>
PLATE 002

> <well>
B8

> <supplier_cmpd_name>
SU9516

> <ctcr_id>
7769

> <supplier_cmpd_id>
T6167

> <smiles>
COc1ccc2NC(=O)\C(=C/c3c[nH]cn3)c2c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SU9516,377090-84-1,377090841,"377090 84 1","SU 9516",SU-9516,(Z)-3-((1H-imidazol-5-yl)methylene)-5-methoxyindolin-2-one,(Z)3((1Himidazol5yl)methylene)5methoxyindolin2one,"(Z) 3 ((1H imidazol 5 yl)met
hylene) 5 methoxyindolin 2 one",666837-93-0,666837930,66683,"EMD 572650",572650}

> <pdid>

> <targets>
{Apoptosis,Autophagy,CDK}

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

> <pubchem_cids>
{5289419}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 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>
TargetMol_L1400_MAPK inhibitor library

> <id>
13659

> <plate>
PLATE 002

> <well>
B9

> <supplier_cmpd_name>
PD318088

> <ctcr_id>
3190

> <supplier_cmpd_id>
T6152

> <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}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -5.2007   -1.4909    0.0000 C   0  0
   -6.4972   -0.7365    0.0000 C   0  0
   -6.4920    0.7635    0.0000 C   0  0
   -5.1903    1.5090    0.0000 C   0  0
   -3.8939    0.7546    0.0000 C   0  0
   -7.7884    1.5180    0.0000 F   0  0
   -5.2059   -2.9909    0.0000 F   0  0
    3.8963    3.7531    0.0000 N   0  0
    3.8941    5.2539    0.0000 C   0  0
    5.1923    6.0070    0.0000 C   0  0
    5.1902    7.5079    0.0000 C   0  0
    6.4876    8.2605    0.0000 O   0  0
    2.5946    6.0048    0.0000 C   0  0
    2.5941    7.5056    0.0000 C   0  0
    1.2953    8.2560    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  2  1  0
 11 12  2  0
 10 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
 15 21  1  0
  5 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 23 27  1  0
 27 28  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13660

> <plate>
PLATE 002

> <well>
B10

> <supplier_cmpd_name>
Pamapimod

> <ctcr_id>
12375

> <supplier_cmpd_id>
T6927

> <smiles>
Cn1c2nc(ncc2cc(c1=O)Oc1c(cc(cc1)F)F)NC(CCO)CCO

> <pd_targets>
{MAPK10,MAPK14,NLK,CSNK1E,MAPK8,MAPK11,RPS6KA3,MAPK9,RPS6KA4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CK1 protein kinase group","AGC protein kinase group","CMGC protein kinase MAPK family","CK1 protein kinase CK1 family","AGC protein kinase 
RSK family","CMGC protein kinase JNK subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase nmo subfamily","AGC protein kinase RSK subfamily","AGC protein kinase MSK subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","AGC: Containing PKA",PKG,"PKC families","Mitogen-activated protein kinases (MAP kinases)","Casei
n kinase 1 (CK1) family","RSK family","JNK subfamily","p38 subfamily","nmo subfamily","RSK subfamily","MSK subfamily"}

> <pathway_reactome>
{"Immune System","Signal Transduction","Cell Cycle","Developmental Biology","Innate Immune System","Signaling by WNT",Mitotic,"Nervous system development","Toll-like Receptor Cascades","Beta-catenin i
ndependent WNT signaling","Mitotic G2-G2/M phases","Axon guidance","Toll Like Receptor 5 (TLR5) Cascade","Ca2+ pathway","G2/M Transition","L1CAM interactions","MyD88 cascade initiated on plasma membra
ne","Centrosome maturation","Recycling pathway of L1","MAP kinase activation","Loss of proteins required for interphase microtubule organization from the centrosome","MAPK targets/ Nuclear events medi
ated by MAP kinases","Loss of Nlp from mitotic centrosomes","Activation of the AP-1 family of transcription factors","CREB phosphorylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Pamapimod,449811-01-2,449811012,"RO 4402257",Ro4402257,UNII-8S2C9V11K4,UNII8S2C9V11K4,"Pamapimod (R-1503, Ro4402257)","Pamapimod (R1503, Ro4402257)",CHEMBL1090089,R1503,CHEBI:90685,8S2C9V11K4,Ro-4402
257,"Pamapimod (USAN:INN)",R-1503,PamapimodR-1503,PamapimodR1503,"Pamapimod (INN/USAN)","R 1503",GTPL9915,SCHEMBL3636,T6927}

> <pdid>
PD043657

> <targets>
{"p38 MAPK",p38¦Á,p38¦Â}

> <classes>
{MAPK}

> <pubchem_cids>
{16220188}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 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>
TargetMol_L1400_MAPK inhibitor library

> <id>
13661

> <plate>
PLATE 002

> <well>
B11

> <supplier_cmpd_name>
Pluripotin

> <ctcr_id>
8334

> <supplier_cmpd_id>
T6948

> <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}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 29 31  0  0  1  0            999 V2000
    4.2010   -3.2956    0.0000 N   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2494    0.0000 C   0  0
   -2.6017    2.9971    0.0000 C   0  0
    6.4430   -1.8404    0.0000 C   0  0
    7.3249   -3.0538    0.0000 O   0  0
    7.0537   -0.4695    0.0000 N   0  0
    8.5462   -0.3118    0.0000 C   0  0  2  0  0  0
    9.4261   -1.5277    0.0000 C   0  0
    8.8143   -2.8972    0.0000 O   0  0
    9.1568    1.0592    0.0000 C   0  0
   10.6483    1.2189    0.0000 C   0  0
   11.2558    2.5903    0.0000 C   0  0
   10.3718    3.8022    0.0000 C   0  0
    8.8804    3.6426    0.0000 C   0  0
    8.2729    2.2711    0.0000 C   0  0
   12.7473    2.7500    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  1  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
  8 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
  2 17  1  0
 17 18  2  0
 17 19  1  0
 20 19  1  1
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 25 29  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13662

> <plate>
PLATE 002

> <well>
C2

> <supplier_cmpd_name>
Ulixertinib

> <ctcr_id>
11915

> <supplier_cmpd_id>
T7005

> <smiles>
[nH]1c(cc(c1)c1cc(ncc1Cl)NC(C)C)C(=O)N[C@H](CO)c1cc(ccc1)Cl

> <pd_targets>
{MAPK1,MAPK3}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

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

> <pathway_reactome>
{"Immune System","Innate Immune System","Toll-like Receptor Cascades","Toll Like Receptor 5 (TLR5) Cascade","MyD88 cascade initiated on plasma membrane","MAP kinase activation","MAPK targets/ Nuclear 
events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{}

> <broad_moa>
{"MAP kinase inhibitor"}

> <synonyms>
{Ulixertinib,869886-67-9,869886679,VRT752271,BVD-523,BVD523,UNII-16ZDH50O1U,UNII16ZDH50O1U,"Ulixertinib (INN)","Ulixertinib (BVD-523)","Ulixertinib (BVD523)","Ulixertinib (BVD-523, VRT752271)","Ulixer
tinib (BVD523, VRT752271)",16ZDH50O1U,CHEMBL3590106,"869886-67-9 (free base)","869886679 (free base)","Ulixertinib (BVD-523,VRT752271)","Ulixertinib (BVD523,VRT752271)","BVD523 HCl",T7005}

> <pdid>
PD012525

> <targets>
{ERK,ERK2}

> <classes>
{MAPK,MAPK/ERK Pathway,Stem Cell/Wnt}

> <pubchem_cids>
{11719003}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 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  3
 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>
TargetMol_L1400_MAPK inhibitor library

> <id>
13663

> <plate>
PLATE 002

> <well>
C3

> <supplier_cmpd_name>
GDC-0879

> <ctcr_id>
1998

> <supplier_cmpd_id>
T6320

> <smiles>
OCCn1cc(c2ccc3c(CCC3=NO)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,"GDC 0879",CHEMBL2139930,HMS3295O17,HMS3654K21,BCP02896,AKOS030231604,NCGC00263179-01,NCGC0026317901,SW219204-1,SW2192041,Q27163282,T6320,S1104}

> <pdid>
PD003230

> <targets>
{B-Raf,Raf}

> <classes>
{MAPK}

> <pubchem_cids>
{57519545}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    7.0625   -7.0106    0.0000 C   0  0
    6.3098   -5.7131    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0
    4.0559   -4.4171    0.0000 N   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8073   -5.7196    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 N   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
   -5.2007   -1.4909    0.0000 C   0  0
   -5.2059   -2.9909    0.0000 C   0  0
   -5.1883    3.0099    0.0000 C   0  0
   -3.8879    3.7577    0.0000 O   0  0
   -6.4865    3.7629    0.0000 N   0  0
   -6.4844    5.2637    0.0000 C   0  0
   -7.2302    6.4740    0.0000 C   0  0
   -5.7302    6.4687    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 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  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  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
 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 25  1  0
 13 28  1  0
 28  9  1  0
 28 29  2  0
 29  7  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13664

> <plate>
PLATE 002

> <well>
C4

> <supplier_cmpd_name>
BMS-582949 HCl

> <ctcr_id>
12378

> <supplier_cmpd_id>
T3462

> <smiles>
CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C

> <pd_targets>
{MAPK14,MAPK11,CYP3A4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 3","CMGC protein kinase group","Cytochrome P450 family 3A","CMGC protein kinase MAPK family","Cytochrome P450 3A4","CMGC prote
in kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Cytochrome P450","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","Mitogen-activated protein kinases (MAP kinases)","p38 subfamily"}

> <pathway_reactome>
{"Immune System",Metabolism,"Innate Immune System","Metabolism of lipids","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Toll Like Receptor 5 (TLR5) Cascade
","Biosynthesis of DHA-derived SPMs","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","MAP kinase activation","Biosynthesis of maresin-like SPMs","MAPK targets/ Nuclear events m
ediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{MS58294,BMS-582949,BMS582949,623152-17-0,623152170,"BMS 582949",UNII-CR743OME9E,UNIICR743OME9E,PS540446,"BMS582949 free base",CR743OME9E,CHEMBL1230065,"623152-17-0 (free base)","623152170 (free base)
",PS-540446,3mvl,SCHEMBL254996,GTPL7838,DTXSID90211380,BCP14356,EX-A1265,EXA1265,BDBM50327009,MFCD18633248,NSC,T6789,T3462,"BMS-582949 HCl"}

> <pdid>
PD050860

> <targets>
{"p38 MAPK"}

> <classes>
{MAPK}

> <pubchem_cids>
{10409068}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 37 42  0  0  1  0            999 V2000
   -5.6404    2.0837    0.0000 C   0  0
   -4.2052    2.5196    0.0000 C   0  0
   -3.8654    3.9806    0.0000 O   0  0
   -3.1098    1.4936    0.0000 O   0  0
   -3.4500    0.0300    0.0000 C   0  0
   -4.9600   -0.3000    0.0000 C   0  0
   -5.6500   -1.6600    0.0000 C   0  0
   -7.1499   -1.6430    0.0000 O   0  0
   -4.9600   -3.1000    0.0000 O   0  0
   -3.4500   -3.4300    0.0000 C   0  0  1  0  0  0
   -2.0017   -3.8204    0.0000 C   0  0
   -4.5747   -4.4224    0.0000 C   0  0
   -2.2500   -2.4700    0.0000 C   0  0  2  0  0  0
   -0.9100   -3.2400    0.0000 C   0  0
    0.4100   -2.4700    0.0000 C   0  0
    1.7107   -3.2171    0.0000 O   0  0
    0.4100   -0.9400    0.0000 C   0  0  2  0  0  0
    1.2741   -1.4433    0.0000 C   0  0
   -0.9100   -0.1500    0.0000 C   0  0  2  0  0  0
   -0.9100    1.3600    0.0000 C   0  0
    0.4100    2.1300    0.0000 C   0  0
    1.7500    1.3600    0.0000 C   0  0  1  0  0  0
    1.7500    2.8600    0.0000 C   0  0
    3.0900    2.1300    0.0000 C   0  0  1  0  0  0
    4.4300    1.3400    0.0000 O   0  0
    4.4300   -0.1500    0.0000 C   0  0
    5.7324   -0.8941    0.0000 O   0  0
    3.0900   -0.9400    0.0000 C   0  0  1  0  0  0
    1.7500   -1.7300    0.0000 O   0  0
    1.7500   -0.1800    0.0000 C   0  0  2  0  0  0
    3.0984    3.6307    0.0000 C   0  0
    4.3129    4.4888    0.0000 C   0  0
    3.8513    5.9160    0.0000 C   0  0
    2.3513    5.9180    0.0000 O   0  0
    1.8859    4.4921    0.0000 C   0  0
   -2.2500   -0.9200    0.0000 C   0  0  1  0  0  0
   -2.1390    0.5759    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
  7  9  1  0
  9 10  1  0
 10 11  1  1
 10 12  1  0
 10 13  1  0
 13 14  1  1
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  1
 17 19  1  0
 19 20  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  6
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  1
 30 29  1  1
 30 28  1  0
 30 22  1  0
 30 17  1  0
 24 31  1  6
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  1  0
 35 31  2  0
 19 36  1  0
 36  5  1  0
 36 13  1  0
 36 37  1  1
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13665

> <plate>
PLATE 002

> <well>
C5

> <supplier_cmpd_name>
Nomilin

> <ctcr_id>
12456

> <supplier_cmpd_id>
T3672

> <smiles>
CC(=O)OC5CC(=O)O[C@@](C)(C)[C@@H]6CC(=O)[C@]3(C)[C@H](CC[C@@]2(C)[C@@H](OC(=O)[C@H]1O[C@]123)c4ccoc4)[C@@]56C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Nomilin,1063-77-0,1063770,"Nomilin, analytical standard",HMS3886C11,s5045,AKOS025311248,CCG-269809,CCG269809,063N770,Q-100042,Q100042,1704050-75-8,1704050758,T3672}

> <pdid>
PD080478

> <targets>
{MAPK}

> <classes>
{MAPK}

> <pubchem_cids>
{46783795}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 16 17  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 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.3114   -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
    7.8003   -1.4887    0.0000 C   0  0
    9.0983   -0.7368    0.0000 O   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  3
 11  6  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  3
 14 10  1  0
  2 15  1  0
 15 16  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13666

> <plate>
PLATE 002

> <well>
C6

> <supplier_cmpd_name>
trans-Zeatin

> <ctcr_id>
12496

> <supplier_cmpd_id>
TMS2181

> <smiles>
CC(=CCNC1=NC=NC2=C1NC=N2)CO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{RANSZEATI,13114-27-7,13114277,"2-Buten-1-ol, 2-methyl-4-(1H-purin-6-ylamino)-","2Buten1ol, 2methyl4(1Hpurin6ylamino)",6-(4-Hydroxy-3-methylbut-2-enylamino)purine,6(4Hydroxy3methylbut2enylamino)purine
,(Z)-2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol,(Z)2methyl4(7Hpurin6ylamino)but2en1ol,2-methyl-4-(7H-purin-6-ylamino)but-2-en-1-ol,2methyl4(7Hpurin6ylamino)but2en1ol,131140-27-7,131140277,AKOS030228
159,MCULE-7761672825,MCULE7761672825,M,TMS2181,TMS2179,trans-Zeatin,Zeatin}

> <pdid>
PD087002

> <targets>
{ERK,MEK,Endogenous Metabolite}

> <classes>
{MAPK/ERK Pathway,Stem Cell/Wnt,Metabolic Enzyme/Protease}

> <pubchem_cids>
{15419}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 61 69  0  0  1  0            999 V2000
    3.8864   -5.2585    0.0000 C   0  0  2  0  0  0
    2.5847   -6.0040    0.0000 C   0  0  2  0  0  0
    1.2883   -5.2495    0.0000 C   0  0  1  0  0  0
    1.2935   -3.7495    0.0000 C   0  0  2  0  0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    3.8915   -3.7585    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0  1  0  0  0
   -3.8971    3.7500    0.0000 C   0  0  2  0  0  0
   -4.2297    5.2071    0.0000 C   0  0
   -5.7225    5.3543    0.0000 C   0  0  2  0  0  0
   -6.8416    6.3501    0.0000 O   0  0
   -8.1358    5.5918    0.0000 C   0  0  2  0  0  0
   -7.8146    4.1266    0.0000 C   0  0  2  0  0  0
   -6.3238    3.9801    0.0000 C   0  0  2  0  0  0
   -5.1962    3.0000    0.0000 C   0  0  1  0  0  0
   -5.1962    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    0.0000    0.0000 C   0  0
   -6.5611    2.3779    0.0000 C   0  0
   -8.8109    3.0053    0.0000 C   0  0
   -9.1439    6.7639    0.0000 N   0  0
  -10.6298    6.5586    0.0000 C   0  0
  -11.1949    5.1691    0.0000 C   0  0  1  0  0  0
  -10.2742    3.9849    0.0000 C   0  0
   -8.7883    4.1903    0.0000 C   0  0
  -12.6808    4.9638    0.0000 C   0  0
   -0.0053   -2.9973    0.0000 O   0  0
   -1.3065   -3.7451    0.0000 C   0  0  1  0  0  0
   -2.6056   -2.9952    0.0000 C   0  0  1  0  0  0
   -3.9047   -3.7453    0.0000 C   0  0  1  0  0  0
   -3.9046   -5.2453    0.0000 C   0  0  2  0  0  0
   -2.6055   -5.9952    0.0000 C   0  0  1  0  0  0
   -1.3065   -5.2452    0.0000 O   0  0
   -2.6055   -7.4952    0.0000 C   0  0
   -5.2036   -5.9953    0.0000 O   0  0
   -5.2037   -2.9953    0.0000 O   0  0
   -2.6057   -1.4952    0.0000 O   0  0
   -0.0133   -5.9950    0.0000 O   0  0
    2.5826   -7.5048    0.0000 O   0  0
    3.8809   -8.2579    0.0000 C   0  0  1  0  0  0
    3.8809   -9.7579    0.0000 C   0  0  1  0  0  0
    5.1800  -10.5079    0.0000 C   0  0  1  0  0  0
    6.4790   -9.7579    0.0000 C   0  0  2  0  0  0
    6.4790   -8.2579    0.0000 C   0  0  1  0  0  0
    5.1800   -7.5079    0.0000 O   0  0
    7.7781   -7.5079    0.0000 C   0  0
    7.7781  -10.5079    0.0000 O   0  0
    5.1800  -12.0079    0.0000 O   0  0
    2.5819  -10.5079    0.0000 O   0  0
    5.1820   -6.0160    0.0000 C   0  0
    6.4856   -5.2740    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  6
  8  7  1  1
  8  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 13 12  1  6
 13 14  1  0
 14 15  1  1
 16 15  1  1
 16 17  1  0
 18 17  1  1
 18 19  1  0
 20 19  1  1
 20 16  1  0
 20 21  1  0
 21 14  1  0
 21 22  1  0
 22 23  1  0
 24 23  1  1
 24 13  1  0
 24 25  1  0
 25 10  1  0
 25 26  1  0
 26 27  1  0
 27  8  1  0
 25 28  1  1
 21 29  1  1
 19 30  1  6
 18 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 18  1  0
 33 36  1  1
  4 37  1  1
 38 37  1  6
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 38  1  0
 42 44  1  1
 41 45  1  6
 40 46  1  1
 39 47  1  1
  3 48  1  6
  2 49  1  1
 50 49  1  6
 50 51  1  0
 51 52  1  0
 52 53  1  0
 53 54  1  0
 54 55  1  0
 55 50  1  0
 54 56  1  1
 53 57  1  6
 52 58  1  1
 51 59  1  1
  1 60  1  6
 60 61  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13667

> <plate>
PLATE 002

> <well>
C7

> <supplier_cmpd_name>
Solamargine

> <ctcr_id>
11550

> <supplier_cmpd_id>
T4034

> <smiles>
[C@H]1([C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]1CC2=CC[C@H]3[C@@H]4C[C@@H]5O[C@]6([C@H]([C@@H]5[C@]4(CC[C@@H]3[C@]2(CC1)C)C)C)NC[C@@H](CC6)C)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O[C@H]1[C@@H]([C
@@H]([C@H]([C@@H](O1)C)O)O)O)CO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"apoptosis inhibitor"}

> <synonyms>
{Solamargine,20311-51-7,20311517,beta-Solamarine,betaSolamarine,UNII-8KG991E7BN,UNII8KG991E7BN,8KG991E7BN,CHEBI:9185,Solamargin,3671-38-3,3671383,AC1L2K61,"NSC 407810",Solamargin;|A-Solanigrine,Solama
rgin;|ASolanigrine,CHEMBL443114,HY-N0069,HYN0069,MFCD30207844,s9145,AKOS030526705,ZINC252474776,CCG-270542,CCG270542,DB12700,AS-75093,AS75093,T4034}

> <pdid>
PD012308

> <targets>
{p38 MAPK,STAT3,Apoptosis,P-glycoprotein}

> <classes>
{JAK/STAT signaling,MAPK,Stem Cells,Apoptosis,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{73611}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 25 25  0  0  1  0            999 V2000
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0  2  0  0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    6.4833   -9.7656    0.0000 C   0  0
    7.7815  -10.5187    0.0000 C   0  0
    7.7794  -12.0195    0.0000 C   0  0
    9.0776  -12.7726    0.0000 C   0  0
    9.0755  -14.2734    0.0000 C   0  0
   10.3737  -15.0265    0.0000 C   0  0
   10.3716  -16.5265    0.0000 C   0  0
    6.4897   -5.2632    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3032    3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
  6 16  1  1
  1 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 20 23  1  0
 19 24  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13668

> <plate>
PLATE 002

> <well>
C8

> <supplier_cmpd_name>
8-Gingerol

> <ctcr_id>
11968

> <supplier_cmpd_id>
T6S1684

> <smiles>
C(CC(=O)C[C@H](CCCCCCCCC)O)c1cc(c(cc1)O)OC

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

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

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

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

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{0GINGERO,10-Gingerol,10Gingerol,23513-15-7,23513157,(10)-Gingerol,(10)Gingerol,(S)-5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone,(S)5Hydroxy1(4hydroxy3methoxyphenyl)3tetradecanone,UNII-ND6Z
LI4J0V,UNIIND6ZLI4J0V,ND6ZLI4J0V,CHEMBL549472,CHEBI:81134,"(S)- 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-tetradecanone","(S) 5Hydroxy1(4hydroxy3methoxyphenyl)3tetradecanone",MFCD01682694,5-hydroxy-1-
(4-hyd,5hydroxy1(4hyd,T6S1684,T3908,8-Gingerol}

> <pdid>
PD015674

> <targets>
{"Apoptosis inducer"}

> <classes>
{Apoptosis}

> <pubchem_cids>
{168115}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 23 24  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    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
   -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
   -5.1931   -1.5078    0.0000 O   0  0
   -5.1901   -3.0078    0.0000 C   0  0
  -10.3875   -1.5257    0.0000 O   0  0
  -10.3802   -3.0257    0.0000 C   0  0
   -7.8059    2.9863    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  3  1  0
  6  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 13  1  0
 18 19  1  0
 19 20  1  0
 16 21  1  0
 21 22  1  0
 14 23  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13669

> <plate>
PLATE 002

> <well>
C9

> <supplier_cmpd_name>
Flavokawain A

> <ctcr_id>
12295

> <supplier_cmpd_id>
T3S0737

> <smiles>
COC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2OC)OC)O

> <pd_targets>
{ABCG2}

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

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

> <pathway_reactome>
{Metabolism,"Abacavir transport and metabolism","Abacavir transmembrane transport"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MCULE-8624027603,MCULE8624027603,"6'-hydroxy-2',4,4'-trimethoxychalcone","6'hydroxy2',4,4'trimethoxychalcone",FT-0612542,FT0612542,FT-0700037,FT0700037,T3S0737,"Flavokawain A"}

> <pdid>
PD087436

> <targets>
{p38}

> <classes>
{MAPK,NF-¦ÊB}

> <pubchem_cids>
{235736}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
    5.2029   -2.9932    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 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
    7.8525   -1.3573    0.0000 N   0  0
    8.8523   -0.2391    0.0000 C   0  0
    8.0978    1.0574    0.0000 C   0  0
    6.6317    0.7404    0.0000 S   0  0
    8.6996    2.4295    0.0000 C   0  0
   10.1906    2.5941    0.0000 O   0  0
    7.8115    3.6393    0.0000 N   0  0
    8.4143    5.0137    0.0000 C   0  0
    7.5284    6.2242    0.0000 C   0  0
    8.1337    7.5967    0.0000 C   0  0
    9.6249    7.7587    0.0000 C   0  0
   10.2302    9.1312    0.0000 Cl  0  0
   10.5109    6.5483    0.0000 C   0  0
    9.9056    5.1759    0.0000 N   0  0
    7.2473    8.8078    0.0000 C   0  0
    5.7559    8.6467    0.0000 F   0  0
    7.8530   10.1800    0.0000 F   0  0
    6.3619   10.0186    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  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>
TargetMol_L1400_MAPK inhibitor library

> <id>
13670

> <plate>
PLATE 002

> <well>
C10

> <supplier_cmpd_name>
MLN2480

> <ctcr_id>
2185

> <supplier_cmpd_id>
T6895

> <smiles>
CC(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>
{SCHEMBL4204782,AK316256,AS-75178,AS75178,"AS 75178",S7121,MLN2480}

> <pdid>
PD003661

> <targets>
{Raf}

> <classes>
{}

> <pubchem_cids>
{57569468}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 16 16  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  3
    1.2947   -3.7531    0.0000 O   0  5
   -1.3032   -3.7490    0.0000 O   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -1.3101    6.7502    0.0000 N   0  0
   -2.6024    2.9967    0.0000 C   0  0
   -3.9001    2.2444    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  4 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  3  0
 12 15  1  0
 15 16  3  0
M  CHG  2   8   1   9  -1
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13671

> <plate>
PLATE 002

> <well>
C11

> <supplier_cmpd_name>
AG 126

> <ctcr_id>
4689

> <supplier_cmpd_id>
T4092

> <smiles>
Oc1cc(ccc1[N+]([O-])=O)C=C(C#N)C#N

> <pd_targets>
{HSD17B10,PYK,MAPT,ALDH1A1,FFP,POLB,ALD,BLM,CYP2C9,KDM4E,RORC,TDP1,LMNA,RECQL,HPGD,CYP1A2,CYP3A4}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator","Transcription factor","Other nuclear protein",Oxidoreductase,Transferase,"Cytochrome P450",Eraser,"Nuclear receptor",Hydrolase,"Cytochrome P45
0 family 2","Lysine demethylase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 1","Cytochrome P450 family 3","Cytochrome P450 family 2C","Jumonji domain-containing","Nuclear hormone r
eceptor subfamily 1 group F","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 1A1","Cytochrome P45
0 3A4"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Chromatin modifying enzymes","Nuclear hormone receptors","Eicosanoid turnover","CYP2 family: drug metabolising subset","1.14.11.- Histone demethylases","1F. Retin
oic acid-related orphans","Prostaglandin synthases","CYP1 family","CYP3 family"}

> <pathway_reactome>
{Metabolism,"Neuronal System","DNA Repair","Gene expression (Transcription)","Cell Cycle","Metabolism of amino acids and derivatives","Transmission across Chemical Synapses","Biological oxidations","B
ase Excision Repair","DNA Double-Strand Break Repair","RNA Polymerase II Transcription",Mitotic,"Metabolism of lipids","Branched-chain amino acid catabolism","Neurotransmitter receptors and postsynapt
ic signal transmission","Phase I - Functionalization of compounds","Resolution of Abasic Sites (AP sites)","Homology Directed Repair","Generic Transcription Pathway","Nonhomologous End-Joining (NHEJ)"
,"M Phase","Biosynthesis of specialized proresolving mediators (SPMs)","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Resolution of AP sites via the multiple-nucleotide pa
tch replacement pathway","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Cytochrome P450 - arranged by substrate type","Transcriptional regulation by RUNX3","Mitotic Met
aphase and Anaphase","Biosynthesis of DHA-derived SPMs","Post NMDA receptor activation events","PCNA-Dependent Long Patch Base Excision Repair","HDR through Homologous Recombination (HRR)",Xenobiotics
,"RUNX3 Regulates Immune Response and Cell Migration","Mitotic Anaphase","Biosynthesis of D-series resolvins","Biosynthesis of maresins","Activation of AMPK downstream of NMDARs","Homologous DNA Pairi
ng and Strand Exchange","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","Presynaptic phase 
of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{G12,118409-62-4,118409624,AG-126,AG126,"AG 126","Tyrphostin AG 126",ag126,alpha-Cyano-(3-hydroxy-4-nitro)cinnamonitrile,alphaCyano(3hydroxy4nitro)cinnamonitrile,"Tyrphostin AG126",UNII-7YA4AMD1JC,UNI
I7YA4AMD1JC,2-((3-hydroxy-4-nitrophenyl)methylidene)propanedinitrile,2((3hydroxy4nitrophenyl)methylidene)propanedinitrile,7YA4AMD1JC,Propanedinitrile,((3-hydroxy-4-nitrophenyl),((3hydroxy4nitrophenyl)
,T4092,EI-263}

> <pdid>
PD014824

> <targets>
{IRAK,ERK}

> <classes>
{MAPK/ERK Pathway,Stem Cell/Wnt}

> <pubchem_cids>
{2046}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 31 34  0  0  1  0            999 V2000
    2.5434   -9.7160    0.0000 O   0  0
    1.9983   -8.3186    0.0000 C   0  0
    2.9357   -7.1465    0.0000 C   0  0  1  0  0  0
    4.4186   -7.3727    0.0000 O   0  0
    2.3903   -5.7483    0.0000 C   0  0
    3.3277   -4.5763    0.0000 O   0  0
    2.7822   -3.1780    0.0000 C   0  0
    3.7175   -2.0053    0.0000 C   0  0
    3.1695   -0.6090    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -2.4523    2.0983    0.0000 C   0  0
   -3.8856    1.6561    0.0000 C   0  0
   -4.9879    2.6747    0.0000 N   0  0
   -6.4214    2.2303    0.0000 C   0  0
   -6.7502    0.7667    0.0000 C   0  0
   -8.1821    0.3196    0.0000 C   0  0
   -9.2852    1.3360    0.0000 C   0  0
  -10.7170    0.8889    0.0000 F   0  0
   -8.9564    2.7996    0.0000 C   0  0
   -7.5246    3.2467    0.0000 C   0  0
   -7.1959    4.7102    0.0000 F   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
   -1.4008   -2.9088    0.0000 O   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.2990   -2.9545    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 17  1  0
 23 24  1  0
 15 25  2  0
 25 26  1  0
 26 27  2  0
 27 13  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 10  1  0
 30 31  2  0
 31  7  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13672

> <plate>
PLATE 002

> <well>
D2

> <supplier_cmpd_name>
Skepinone-L

> <ctcr_id>
7402

> <supplier_cmpd_id>
T6130

> <smiles>
OC[C@@H](O)COc1ccc2CCc3cc(Nc4ccc(F)cc4F)ccc3C(=O)c2c1

> <pd_targets>
{MAPK14,MAPK11,HSPB1}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Kinase,"Protein Kinase","CMGC protein kinase group","CMGC protein kinase MAPK family","CMGC protein kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Mitogen-activated protein kinases (MAP kinases)","p38 subfamily"}

> <pathway_reactome>
{"Immune System","Signal Transduction","Innate Immune System","Signaling by Nuclear Receptors","Toll-like Receptor Cascades","ESR-mediated signaling","Toll Like Receptor 5 (TLR5) Cascade","Extra-nucle
ar estrogen signaling","MyD88 cascade initiated on plasma membrane","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription facto
rs"}

> <broad_targets>
{MAPK14}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{Skepinone-L,SkepinoneL,1221485-83-1,1221485831,"Skepinone L",CHEMBL2152944,3que,3FF,SCHEMBL2686103,C24H21F2NO4,AOB4016,DTXSID30669907,BCP04105,EX-A2161,EXA2161,BDBM50392175,s7214,ZINC82165247,CCG-268
943,CCG268943,CS-0941,CS0941,HY-15300,HY15300,SW219942-1,SW2199421,X5940,W-5951,W5951,Q27453778,S7214}

> <pdid>
PD003305

> <targets>
{"p38 MAPK"}

> <classes>
{}

> <pubchem_cids>
{45279963}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 29 31  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 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.0114   -1.7530    0.0000 S   0  0
   -4.4013   -3.1233    0.0000 C   0  0
   -2.9095   -2.9665    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -2.5981    1.5000    0.0000 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
    0.0092   -7.5017    0.0000 C   0  0  1  0  0  0
    1.3107   -8.2475    0.0000 C   0  0
   -1.2879   -8.2567    0.0000 C   0  0
   -1.2835   -9.7576    0.0000 N   0  0
   -2.5798  -10.5122    0.0000 C   0  0
    0.0180  -10.5033    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    5.0987   -3.7559    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12  8  1  0
  9 13  1  0
 13 14  2  0
 13 15  1  0
 15  6  1  0
  7 16  2  0
 16  2  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  1
 21 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>
TargetMol_L1400_MAPK inhibitor library

> <id>
13673

> <plate>
PLATE 002

> <well>
D3

> <supplier_cmpd_name>
OTS964

> <ctcr_id>
12748

> <supplier_cmpd_id>
T4135

> <smiles>
Oc1cc(C)c2c(c3c(scc3)c(=O)[nH]2)c1c1ccc([C@@H](C)CN(C)C)cc1.Cl

> <pd_targets>
{PBK,NEK1}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","Other protein kinases","TOPK family","NIMA (never in mitosis gene a)- related kinase (NEK) family"}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{OTS-964,OTS964,1338545-07-5,1338545075,"OTS964 HCl","1338545-07-5 (HCl)","1338545075 (HCl)","OTS964 (hydrochloride)",SCHEMBL15092325,BCP28759,EX-A1467,EXA1467,CS-5121,CS5121,AC-29895,AC29895,AS-55866
,AS55866,HY-12467,HY12467,T4135}

> <pdid>
PD046247

> <targets>
{TOPK}

> <classes>
{MAPK}

> <pubchem_cids>
{89675898}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 38 43  0  0  0  0            999 V2000
   14.1542   -1.3003    0.0000 F   0  0
   12.6874   -0.9867    0.0000 C   0  0
   11.5714   -1.9890    0.0000 C   0  0
   10.2733   -1.2374    0.0000 C   0  0
   10.6016    0.2131    0.0000 N   0  0
   12.0789    0.3844    0.0000 C   0  0
    9.5987    1.3296    0.0000 S   0  0
   10.0644    2.7555    0.0000 O   0  0
    8.5969    2.4461    0.0000 O   0  0
    8.1301    1.0203    0.0000 N   0  0
    7.1272    2.1369    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
    5.6590    1.8298    0.0000 C   0  0
    5.1908    0.4047    0.0000 F   0  0
    3.1904    2.6376    0.0000 C   0  0
    2.1885    3.7539    0.0000 O   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -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 N   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 N   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5002    3.7446    0.0000 C   0  0
   -7.1750    4.9958    0.0000 C   0  0
   -7.9209    3.6944    0.0000 C   0  0
    4.1271    5.4909    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  5  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 15 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  2  0
 24 20  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 26 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  1  0
 36 37  1  0
 37 35  1  0
 14 38  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13674

> <plate>
PLATE 002

> <well>
D4

> <supplier_cmpd_name>
PLX8394

> <ctcr_id>
12480

> <supplier_cmpd_id>
T3579

> <smiles>
FC1CCN(C1)S(=O)(=O)Nc1ccc(c(c1F)C(=O)c1c[nH]c2c1cc(cn2)c1cnc(nc1)C1CC1)F

> <pd_targets>
{RAF1,BRAF}

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

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

> <pathway_reactome>
{"Signal Transduction","MAPK family signaling cascades","Signaling by Receptor Tyrosine Kinases","MAPK1/MAPK3 signaling","Signaling by NTRKs","RAF/MAP kinase cascade","Signaling by NTRK1 (TRKA)","Nega
tive regulation of MAPK pathway","Signalling to ERKs","Negative feedback regulation of MAPK pathway","Prolonged ERK activation events","ARMS-mediated activation"}

> <broad_targets>
{BRAF}

> <broad_moa>
{"serine/threonine kinase inhibitor"}

> <synonyms>
{SCHEMBL15667314,BDBM317827,"US9624213, Compound P-0339","US9624213, Compound P0339",AK547313,DB-085296,DB085296,T3579,PLX8394}

> <pdid>
PD049847

> <targets>
{BRAFV600E}

> <classes>
{MAPK}

> <pubchem_cids>
{90116936}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 N   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.6035   -5.9971    0.0000 C   0  0
    2.6084   -7.4972    0.0000 C   0  0
    3.9098   -8.2430    0.0000 N   0  0
    5.2064   -7.4889    0.0000 C   0  0
    5.2017   -5.9889    0.0000 C   0  0
    3.9002   -5.2430    0.0000 C   0  0
    6.5078   -8.2348    0.0000 N   0  0
   -2.5981   -3.0050    0.0000 N   0  0
    0.0000    3.0000    0.0000 Cl  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
  8 20  1  0
  3 21  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13675

> <plate>
PLATE 002

> <well>
D5

> <supplier_cmpd_name>
PF-6260933

> <ctcr_id>
12364

> <supplier_cmpd_id>
T4221

> <smiles>
c1cc(ccc1c1c(ncc(c1)c1cnc(cc1)N)N)Cl

> <pd_targets>
{CYP1A2,MAP4K4,TNIK,MINK1,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Cytochrome P450",Kinase,"Voltage-gated ion channel","Cytochrome P450 family 1","Protein Kinase","Potassium channels","Cytochrome P450 family 1A","STE protein kinase group","Volt
age-gated potassium channel","Cytochrome P450 1A1","STE protein kinase STE20 family","STE protein kinase MSN subfamily"}

> <pathway_chembl>
{Enzymes,"Ion channels","Cytochrome P450","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","CYP1 family","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Potassium channels","S
TE20 family","Voltage-gated potassium channels","MSN subfamily"}

> <pathway_reactome>
{Metabolism,"Cellular responses to external stimuli","Muscle contraction","Biological oxidations","Cellular responses to stress","Cardiac conduction","Phase I - Functionalization of compounds","Cellul
ar Senescence","Phase 3 - rapid repolarisation","Cytochrome P450 - arranged by substrate type","Oxidative Stress Induced Senescence",Xenobiotics,"Aromatic amines can be N-hydroxylated or N-dealkylated
 by CYP1A2"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{F626093,1811510-56-1,1811510561,PF-06260933,PF06260933,PF-6260933,PF6260933,"5-(4-Chlorophenyl)-(3,3')bipyridinyl-6,6'-diamine","5(4Chlorophenyl)(3,3')bipyridinyl6,6'diamine",CHEMBL3754515,"1811510-5
6-1 (free base)","1811510561 (free base)","5-(4-Chlorophenyl)-(3,3'-bipyridine)-6,6'-diamine","5(4Chlorophenyl)(3,3'bipyridine)6,6'diamine",5-(6-aminopyridin-3-yl)-3-(4-chlorophenyl)pyridin-2-amine,5(
6aminopyridin3yl)3(4chlorophenyl)pyridin2amine,TQR12,T4221}

> <pdid>
PD069405

> <targets>
{MAP4K4 for Cell,MAP4K4 for Kinase,MAP4K}

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

> <pubchem_cids>
{118701008}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.9511   -0.8815    0.0000 N   0  0
   -4.9530   -1.9978    0.0000 C   0  0
   -4.2010   -3.2957    0.0000 N   0  0
   -2.7343   -2.9815    0.0000 C   0  0
   -1.6115   -3.9772    0.0000 C   0  0
   -0.1605   -3.6178    0.0000 C   0  0
    0.8791   -4.6991    0.0000 C   0  0
    0.4626   -6.1401    0.0000 C   0  0
    1.5022   -7.2213    0.0000 F   0  0
   -0.9936   -6.4998    0.0000 C   0  0
   -2.0333   -5.4186    0.0000 C   0  0
   -4.2568    0.5878    0.0000 C   0  0
   -3.2235    1.6679    0.0000 C   0  0
   -3.6446    3.1076    0.0000 C   0  0
   -5.1020    3.4627    0.0000 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  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  9  2  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
 10 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13676

> <plate>
PLATE 002

> <well>
D6

> <supplier_cmpd_name>
SB-242235

> <ctcr_id>
5194

> <supplier_cmpd_id>
T4078

> <smiles>
COc1nccc(n1)c2n(cnc2c3ccc(F)cc3)C4CCNCC4

> <pd_targets>
{CSNK1D,PRKACA,PRKCB,MAP4K5,MAPK14,PRKCA,MAP4K4,MINK1,CSNK1A1,PRKD3,HSPB1}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Kinase,"Protein Kinase","CK1 protein kinase group","AGC protein kinase group","STE protein kinase group","CMGC protein kinase group","CAMK protein kinase group","CK1 
protein kinase CK1 family","AGC protein kinase PKA family","AGC protein kinase PKC family","STE protein kinase STE20 family","CMGC protein kinase MAPK family","CAMK protein kinase PKD family","AGC pro
tein kinase PKC alpha subfamily","STE protein kinase KHS subfamily","CMGC protein kinase p38 subfamily","STE protein kinase MSN subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CK1: Casein kinase 1","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"C
LK families","CAMK: Calcium/calmodulin-dependent protein kinases","Casein kinase 1 (CK1) family","Protein kinase A (PKA) family","Protein kinase C (PKC) family","STE20 family","Mitogen-activated prote
in kinases (MAP kinases)","Protein kinase D (PKD) family","Alpha subfamily","KHS subfamily","p38 subfamily","Delta subfamily","MSN subfamily"}

> <pathway_reactome>
{"Cell Cycle","Immune System","Signal Transduction","Cellular responses to external stimuli",Disease,Metabolism,Mitotic,"Innate Immune System","Signaling by GPCR","Cellular responses to stress","Disea
ses of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","Signaling by Nuclear Receptors","Mitotic G2-G2/M phases","M Phase","Toll-like Receptor Cascades","G
PCR downstream signalling","Cellular Senescence","Signaling by WNT in cancer","Sphingolipid metabolism","ESR-mediated signaling","G2/M Transition","Mitotic Prophase","Toll Like Receptor 5 (TLR5) Casca
de","G alpha (i) signalling events","Oxidative Stress Induced Senescence","Signaling by AMER1 mutants","Sphingolipid de novo biosynthesis","Extra-nuclear estrogen signaling","Centrosome maturation","N
uclear Envelope Breakdown","MyD88 cascade initiated on plasma membrane","Visual phototransduction","Truncations of AMER1 destabilize the destruction complex","Loss of proteins required for interphase 
microtubule organization from the centrosome","Depolymerisation of the Nuclear Lamina","MAP kinase activation","The phototransduction cascade","Loss of Nlp from mitotic centrosomes","MAPK targets/ Nuc
lear events mediated by MAP kinases",Inactivation,"recovery and regulation of the phototransduction cascade","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{HSPB1,MAPK14}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{193746-75-7,193746757,SB242235,SB-242235,"SB 242235",4-(5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl)-2-methoxypyrimidine,4(5(4fluorophenyl)3piperidin4ylimidazol4yl)2methoxypyrimidine,CHEMBL95692
,Kinome_3169,Kinome3169,Kinome-3169,"Kinome 3169",SCHEMBL2267209,BDBM15458,SYN1076,HMS3244I17,HMS3244I18,HMS3244J17,BCP05992,EX-A1881,EXA1881,ZINC1487129,3254AH,AKO,T4078,SY-SB242235}

> <pdid>
PD012436

> <targets>
{"p38 MAPK"}

> <classes>
{}

> <pubchem_cids>
{9863367}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
    0.1194   -2.3933    0.0000 C   0  0
    0.7500   -1.0323    0.0000 C   0  0
    1.2135    0.3943    0.0000 N   0  0
    2.6375    0.8603    0.0000 C   0  0
    2.9474    2.3287    0.0000 C   0  0
    4.3738    2.7955    0.0000 N   0  0
    4.6857    4.2627    0.0000 C   0  0
    6.1123    4.7263    0.0000 C   0  0
    7.2270    3.7227    0.0000 O   0  0
    6.9152    2.2554    0.0000 C   0  0
    5.4887    1.7919    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
    0.0000    2.7760    0.0000 O   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
   -1.9615   -1.9133    0.0000 S   0  0
   -3.1750   -1.0316    0.0000 C   0  0
   -2.7115    0.3949    0.0000 C   0  0
   -4.6023   -1.4954    0.0000 C   0  0
   -5.0215   -2.9305    0.0000 C   0  0
   -6.4789   -3.2854    0.0000 C   0  0
   -7.5149   -2.2006    0.0000 N   0  0
   -7.0935   -0.7610    0.0000 C   0  0
   -8.1279    0.3264    0.0000 N   0  0
   -7.7043    1.7662    0.0000 C   0  0
   -6.2964    2.2456    0.0000 C   0  0
   -6.3353    3.7451    0.0000 C   0  0
   -7.7734    4.1715    0.0000 N   0  0
   -8.6233    2.9355    0.0000 N   0  0
  -10.1225    2.8877    0.0000 C   0  0
   -5.6361   -0.4062    0.0000 N   0  0
    2.2393   -0.8534    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  6  1  0
  3 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15  2  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 14  1  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  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 25  1  0
 29 30  1  0
 23 31  2  0
 31 19  1  0
  2 32  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13677

> <plate>
PLATE 002

> <well>
D7

> <supplier_cmpd_name>
LY3214996

> <ctcr_id>
12498

> <supplier_cmpd_id>
T4091

> <smiles>
CC1(N(CCN2CCOCC2)C(=O)c2c1sc(c2)c1ccnc(Nc2ccnn2C)n1)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"ERK inhibitor"}

> <synonyms>
{LY3214996,1951483-29-6,1951483296,LY-3214996,GTPL9975,SCHEMBL17837273,BCP19982,EX-A2560,EXA2560,NSC803410,s8534,CCG-269274,CCG269274,CS-6974,CS6974,NSC-803410,AK689304,BS-15775,BS15775,HY-101494,HY10
1494,"LY 3214996",A16843,CC1(N(C(C2=C1SC(=C2)C1=NC(=NC=C1)NC1=CC=NN1C)=O)CCN1CCOCC1)C,KE8,T4091}

> <pdid>
PD064929

> <targets>
{ERK1,ERK2,ERK}

> <classes>
{MAPK,MAPK/ERK Pathway,Stem Cell/Wnt}

> <pubchem_cids>
{121408882}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    1.1812   -9.7838    0.0000 O   0  0
    0.7130   -8.3588    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 C   0  0
   -1.7553   -9.1697    0.0000 Br  0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
    1.2449   -5.8157    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
    3.1813   -7.5478    0.0000 Br  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 I   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
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  2  1  0
  8  9  1  0
  6 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 11  1  0
 21 15  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13678

> <plate>
PLATE 002

> <well>
D8

> <supplier_cmpd_name>
GW5074

> <ctcr_id>
7258

> <supplier_cmpd_id>
T6525

> <smiles>
Oc1c(Br)cc(cc1Br)\C=C2/C(=O)Nc3ccc(I)cc23

> <pd_targets>
{REP,BRAF,RAF1,PIM2,MAPK3,MAP3K20,RECQL,MAPT,HIF1A,MAPK1,STAT6,RORC,CHRM1,HPGD,HBB,CYP2D6,PLK4,LMNA,ARAF,FTL,KMT2A,MEN1,HSD17B10,CYP2C19,FFP,ALOX15,APEX1,BRCA1,NFKB1,TSHR,BLM,PMP22,CYP2C9,USP2,DYRK4,R
IPK3,THRB,CYP3A4,PLK1,CSNK2A1,LEF,MYOC,POLB,GMNN,CYP1A2,KIF15,MTOR,LRRK2,APH1A,APH1B,NCSTN,PSEN1,PSEN2,PSENEN}

> <pathway_gtopdb>
{Enzyme,Transferase,Kinase,"Protein Kinase","TKL protein kinase group","CAMK protein kinase group","CMGC protein kinase group","TKL protein kinase RAF family","CAMK protein kinase PIM family","CMGC pr
otein kinase MAPK family","CMGC protein kinase ERK1","Other cytosolic protein","Transcription factor","Membrane receptor","Secreted protein","Other nuclear protein","Unclassified protein","Epigenetic 
regulator","Nuclear receptor","Family A G protein-coupled receptor","Cytochrome P450",Reader,Oxidoreductase,Protease,"Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","C
ytochrome P450 family 2",Bromodomain,"Peptide receptor (family A GPCR)","Cysteine protease","Cytochrome P450 family 3","Metallo protease","Cytochrome P450 family 1","Nuclear hormone receptor subfamily
 1 group F","Monoamine receptor","Cytochrome P450 family 2D","Other protein kinase group","Cytochrome P450 family 2C","Glycohormone receptor","Cysteine protease CA clan","Nuclear hormone receptor subf
amily 1 group A","Cytochrome P450 family 3A","Metallo protease MAE clan","Cytochrome P450 family 1A","Atypical protein kinase group","TKL protein kinase MLK family","Nuclear hormone receptor subfamily
 1 group F member 3","Acetylcholine receptor","Cytochrome P450 2D6","Other protein kinase PLK family","Cytochrome P450 2C19","Cytochrome P450 2C9","Cysteine protease C19 family","CMGC protein kinase D
YRK family","Nuclear hormone receptor subfamily 1 group A member 2","Cytochrome P450 3A4","Other protein kinase CK2 family","Cysteine protease C1A family","Metallo protease M34 family","Cytochrome P45
0 1A1","Atypical protein kinase PIKK family","TKL protein kinase MLK subfamily","Atypical protein kinase FRAP subfamily","Aspartic protease","Aspartic protease AD clan","TKL protein kinase LRRK family
","Aspartic protease A22A subfamily","Aspartic protease A22A regulatory subfamily"}

> <pathway_chembl>
{"Other protein targets",Receptors,Enzymes,"Anti-infective targets","Catalytic receptors","Kinases (EC 2.7.x.x)","Viral protein targets","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein 
kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Coronavirus (CoV) proteins","TKL: Tyrosine kinase-like","PIM family","Mitogen-activated protein kinases (MAP kinases)","RAF family","ERK subfa
mily","Transcription factors","Nuclear hormone receptors","G protein-coupled receptors","Eicosanoid turnover","Cytochrome P450","Chromatin modifying enzymes","Peptidases and proteinases","STAT transcr
iption factors","1F. Retinoic acid-related orphans","Acetylcholine receptors (muscarinic)","Prostaglandin synthases","CYP2 family: drug metabolising subset","2.1.1.43 Histone methyltransferases (HMTs)
",Lipoxygenases,"Glycoprotein hormone receptors","CA: Cysteine (C) Peptidases","1A. Thyroid hormone receptors","CYP3 family","CYP1 family",Atypical,"Other protein kinases","C19: Ubiquitin-specific pro
tease","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Mixed Lineage Kinase (MLK) family","Polo-like kin
ase (PLK) family","Dyrk1 subfamily","Receptor interacting protein kinase (RIPK) family","Casein kinase 2 (CK2) family","FRAP subfamily","MLK subfamily","Leucine-rich repeat kinase (LRRK) family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Immune System","Infectious disease","Signaling by Receptor Tyrosine Kinases","MAPK family signaling cascades","Innate Immune System","SARS-CoV Infections","Signaling by
 NTRKs","MAPK1/MAPK3 signaling","Toll-like Receptor Cascades","SARS-CoV-2 Infection","Signaling by NTRK1 (TRKA)","RAF/MAP kinase cascade","Toll Like Receptor 5 (TLR5) Cascade","SARS-CoV-2 Genome Repli
cation and Transcription","Signalling to ERKs","Negative regulation of MAPK pathway","MyD88 cascade initiated on plasma membrane","Replication of the SARS-CoV-2 genome","Prolonged ERK activation event
s","Negative feedback regulation of MAPK pathway","MAP kinase activation","ARMS-mediated activation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated","N
euronal System","Cellular responses to external stimuli","Gene expression (Transcription)",Metabolism,"Cell Cycle","Vesicle-mediated transport","DNA Repair","Developmental Biology","Metabolism of prot
eins","Transmission across Chemical Synapses","Cellular responses to stress","RNA Polymerase II Transcription","Signaling by GPCR","Metabolism of lipids","Biological oxidations",Mitotic,"Diseases of s
ignal transduction by growth factor receptors and second messengers","Membrane Trafficking","Metabolism of amino acids and derivatives","Base Excision Repair","DNA Double-Strand Break Repair","Cytokin
e Signaling in Immune system","Nervous system development","Post-translational protein modification","Neurotransmitter receptors and postsynaptic signal transmission","Cellular response to hypoxia","C
ytosolic sensors of pathogen-associated DNA","Generic Transcription Pathway","GPCR ligand binding","Biosynthesis of specialized proresolving mediators (SPMs)","Neutrophil degranulation","Phase I - Fun
ctionalization of compounds","Mitotic G2-G2/M phases","M Phase","Oncogenic MAPK signaling","trans-Golgi Network Vesicle Budding","Branched-chain amino acid catabolism","Resolution of Abasic Sites (AP 
sites)","Homology Directed Repair","Signaling by Interleukins","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination",SUMOylation,"Uptake and actions of bacterial toxi
ns","Mitotic G1 phase and G1/S transition","Intra-Golgi and retrograde Golgi-to-ER traffic","Activation of NMDA receptors and postsynaptic events","Oxygen-dependent proline hydroxylation of Hypoxia-in
ducible Factor Alpha","STING mediated induction of host immune responses","Transcriptional regulation by RUNX3","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Cytochrome P4
50 - arranged by substrate type","G2/M Transition","Mitotic Metaphase and Anaphase","Signaling by RAS mutants","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX1","Biosynthesis
 of DPA-derived SPMs","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Interleukin-1 family
 signaling","Leishmania parasite growth and survival","Transcriptional Regulation by TP53","Toll Like Receptor 4 (TLR4) Cascade","SUMO E3 ligases SUMOylate target proteins","Uptake and function of ant
hrax toxins","G1/S Transition","Golgi-to-ER retrograde transport","Post NMDA receptor activation events","STAT6-mediated induction of chemokines","RUNX3 Regulates Immune Response and Cell Migration","
Amine ligand-binding receptors","Biosynthesis of D-series resolvins",Xenobiotics,"Centrosome maturation","Mitotic Anaphase","Signaling downstream of RAS mutants","RUNX1 regulates genes involved in meg
akaryocyte differentiation and platelet function","Biosynthesis of DPAn-3 SPMs","PCNA-Dependent Long Patch Base Excision Repair","HDR through Homologous Recombination (HRR)","Interleukin-1 signaling",
"Anti-inflammatory response favouring Leishmania parasite infection","Regulation of TP53 Activity","MyD88-independent TLR4 cascade","SUMOylation of intracellular receptors","Biosynthesis of maresins",
"Activation of the pre-replicative complex","COPI-dependent Golgi-to-ER retrograde traffic","Activation of AMPK downstream of NMDARs","Muscarinic acetylcholine receptors","CYP2E1 reactions","Loss of p
roteins required for interphase microtubule organization from the centrosome","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and resolvins","Homologous DNA Pairing and S
trand Exchange","MAP3K8 (TPL2)-dependent MAPK1/3 activation","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","TRIF(TICAM1)-mediated TLR4 signa
ling","Biosynthesis of maresin-like SPMs","Regulation of TP53 Activity through Phosphorylation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Loss of Nlp from mitotic centrosomes
","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","IKK complex recruitment mediated by RIP1","Signa
ling by Non-Receptor Tyrosine Kinases","Signaling by PTK6","PTK6 promotes HIF1A stabilization"}

> <broad_targets>
{NTRK1,RAF1}

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

> <synonyms>
{"Raf1 Kinase Inhibitor I",gw5074,220904-83-6,220904836,"GW 5074",GW-5074,GW5074,UNII-B7W8RS1GG2,UNIIB7W8RS1GG2,B7W8RS1GG2,"(3Z)-3-((3,5-dibromo-4-hydroxyphenyl)methylidene)-5-iodo-1H-indol-2-one","(3
Z)3((3,5dibromo4hydroxyphenyl)methylidene)5iodo1Hindol2one","3-(3,5-Dibromo-4-hydroxy-benzylidene)-5-iodo-1,3-dihydro-indol-2-one","3(3,5Dibromo4hydroxybenzylidene)5iodo1,3dihydroindol2one",CHEMBL7236
5,3,1381,S2872}

> <pdid>
PD002729

> <targets>
{Raf}

> <classes>
{}

> <pubchem_cids>
{5924208}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    3.8939    0.7546    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -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 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
   -0.0072    7.5009    0.0000 Cl  0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  2  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18  9  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
 22 24  1  0
 24 25  2  0
 25 19  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13679

> <plate>
PLATE 002

> <well>
D9

> <supplier_cmpd_name>
Vacquinol-1

> <ctcr_id>
6502

> <supplier_cmpd_id>
T7008

> <smiles>
OC(C1CCCCN1)c2cc(nc3ccccc23)c4ccc(Cl)cc4

> <pd_targets>
{RORC,NPSR1,KMT2A,MEN1,FFP,MAPK1,MAPT}

> <pathway_gtopdb>
{"Transcription factor","Membrane receptor","Epigenetic regulator",Enzyme,"Other cytosolic protein","Nuclear receptor","Family A G protein-coupled receptor",Reader,Transferase,Kinase,"Nuclear hormone 
receptor subfamily 1","Peptide receptor (family A GPCR)",Bromodomain,"Protein Kinase","Nuclear hormone receptor subfamily 1 group F","Short peptide receptor (family A GPCR)","CMGC protein kinase group
","Nuclear hormone receptor subfamily 1 group F member 3","Neuropeptide receptor","CMGC protein kinase MAPK family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"Nuclear hormone receptors","G protein-coupled receptors","Kinases (EC 2.7.x.x)","1F. Retinoic acid-related orphans","Neuropeptide S receptor","CMGC: Containing CDK",MAPK,GSK3,"CLK 
families","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Disease,"Immune System","Neuronal System","RNA Polymerase II Transcription","Infectious disease","Innate Immune System","Transmission across Chemical Synapses","Gene
ric Transcription Pathway","Leishmania infection","Toll-like Receptor Cascades","Neurotransmitter receptors and postsynaptic signal transmission","Transcriptional regulation by RUNX3","Leishmania para
site growth and survival","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic events","RUNX3 Regulates Immune Response and Cell Migration","Anti-inflammatory response 
favouring Leishmania parasite infection","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","ADORA2B mediated anti-inflammatory cytokines production","MAP kinase activ
ation","Activation of AMPK downstream of NMDARs","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{vacquinol-1,vacquinol1,5428-80-8,5428808,NSC13316,(2-(4-chlorophenyl)quinolin-4-yl)-piperidin-2-ylmethanol,(2(4chlorophenyl)quinolin4yl)piperidin2ylmethanol,(2-(4-chlorophenyl)quinolin-4-yl)(piperidi
n-2-yl)methanol,(2(4chlorophenyl)quinolin4yl)(piperidin2yl)methanol,MLS000737413,(2-(4-chlorophenyl)quinolin-4-yl)-(2-piperidyl)methanol,(2(4chlorophenyl)quinolin4yl)(2piperidyl)methanol,(2-(4-chlorop
henyl)-4-quinol,(2(4chlorophenyl)4quinol,T7008,"NSC 13316",Vacquinol-1}

> <pdid>
PD017932

> <targets>
{JNK}

> <classes>
{}

> <pubchem_cids>
{224644}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 31 33  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 F   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -2.5795   -7.5040    0.0000 I   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -5.1932   -3.0130    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 S   0  0
    1.3015   -2.2494    0.0000 O   0  0
    2.6016   -2.9971    0.0000 O   0  0
    1.3070   -5.2506    0.0000 C   0  0
    2.6081   -5.9988    0.0000 C   0  0
    2.6116   -7.4996    0.0000 C   0  0
    1.3141   -8.2523    0.0000 O   0  0
    3.9127   -8.2477    0.0000 C   0  0
    3.9162   -9.7477    0.0000 O   0  0
   -0.0778   -5.1866    0.0000 C   0  0
    0.6747   -6.4843    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 11  1  0
 17 18  1  0
  9 19  2  0
 19  3  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  2  0
 21 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 24 30  1  0
 30 31  1  0
 31 24  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13680

> <plate>
PLATE 002

> <well>
D10

> <supplier_cmpd_name>
Refametinib

> <ctcr_id>
1882

> <supplier_cmpd_id>
T6636

> <smiles>
COc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C3(CC(O)CO)CC3

> <pd_targets>
{MAP2K2,MAP2K1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","STE protein kinase group","STE protein kinase STE7 family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","STE7 family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by NTRKs","Signaling by NTRK1 (TRKA)","Signalling to ERKs","Prolonged ERK activation events","Frs2-mediated activation"}

> <broad_targets>
{MAP2K1,MAP2K2}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{Refametinib,923032-37-5,923032375,RDEA119,"RDEA 119","BAY 869766",UNII-JPX07AFM0N,UNIIJPX07AFM0N,JPX07AFM0N,BAY-869766,BAY869766,"BAY 8697661","Refametinib (RDEA119, Bay 86-9766)","Refametinib (RDEA1
19, Bay 869766)","BAY 86-9766","Refametinib (INN)",RDEA-119,3e8n,"Refametinib; RDEA119","Refametinib (RDEA119)",SCHEMBL,T6636}

> <pdid>
PD011148

> <targets>
{MEK}

> <classes>
{MAPK/ERK Pathway}

> <pubchem_cids>
{44182295}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7591    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    3.0046    0.0000 C   0  0
   -9.0875    3.7680    0.0000 Cl  0  0
    2.6003    1.4978    0.0000 N   0  0
    3.8990    0.7455    0.0000 C   0  0
    5.2007    1.4910    0.0000 C   0  0
    6.4972    0.7365    0.0000 C   0  0
    6.4920   -0.7635    0.0000 C   0  0
    5.1904   -1.5090    0.0000 C   0  0
    3.8939   -0.7546    0.0000 N   0  0
    5.2059    2.9917    0.0000 C   0  0
    3.9107    3.7484    0.0000 C   0  0
    3.9183    5.2483    0.0000 C   0  0
    5.2211    5.9918    0.0000 N   0  0
    6.5163    5.2352    0.0000 C   0  0
    6.5087    3.7352    0.0000 N   0  0
    2.4949    5.7191    0.0000 N   0  0
    1.6071    4.5100    0.0000 C   0  0
    2.4826    3.2920    0.0000 N   0  0
   11.5163    2.2414    0.0000 Cl  0  0
    9.0163    2.2414    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  4  1  0
  8 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
  3 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
 22 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 29 33  1  0
 33 34  2  0
 34 35  1  0
 35 28  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13681

> <plate>
PLATE 002

> <well>
D11

> <supplier_cmpd_name>
B-Raf inhibitor 1 dihydrochloride

> <ctcr_id>
12494

> <supplier_cmpd_id>
T4167

> <smiles>
Cc1c(c2c(cc1)c(ncc2)Nc1ccc(cc1)Cl)Nc1c(cccn1)c1c2c(ncn1)nc[nH]2.Cl.Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{19138519,1191385-19-9,1191385199,"B-Raf inhibitor 1 dihydrochloride","BRaf inhibitor 1 dihydrochloride","B-Raf inhibitor 1 (dihydrochloride)","BRaf inhibitor 1 (dihydrochloride)",HUN85199,"1191385-19
-9 (HCl)","1191385199 (HCl)",C26H19ClN8.2ClH,SCHEMBL19873386,BCP29713,EX-A1897,EXA1897,3900AH,HY-14177A,HY14177A,MFCD18782676,s6660,SB12626,AS-51337,AS51337,"B-Raf inhibitor 1 (Co","BRaf inhibitor 1 (
Co",T4167}

> <pdid>

> <targets>
{B-Raf}

> <classes>
{MAPK}

> <pubchem_cids>
{44247765}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    6.3501   -2.2517    0.0000 C   0  0
    4.8823   -2.5608    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5497   -4.4224    0.0000 N   0  0
    1.7974   -5.7210    0.0000 C   0  0
    0.2974   -5.7184    0.0000 O   0  0
    2.5451   -7.0223    0.0000 C   0  0
    1.7951   -8.3214    0.0000 C   0  0
    2.5450   -9.6205    0.0000 C   0  0
    4.0450   -9.6205    0.0000 C   0  0
    4.7951   -8.3215    0.0000 C   0  0
    4.0452   -7.0225    0.0000 C   0  0
    6.2959   -8.3185    0.0000 C   0  0
    7.0441   -7.0184    0.0000 O   0  0
    7.0481   -9.6163    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  3
  8  9  1  0
  9 10  2  3
 10  5  1  0
 10 11  1  0
 11 12  2  3
 12  4  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  2  3
 19 20  1  0
 20 21  2  3
 21 16  1  0
 20 22  1  0
 22 23  2  0
 22 24  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13682

> <plate>
PLATE 002

> <well>
E2

> <supplier_cmpd_name>
Takinib

> <ctcr_id>
13474

> <supplier_cmpd_id>
T4264

> <smiles>
CCCN1C2=CC=CC=C2N=C1NC(=O)C3=CC=CC(=C3)C(=O)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Takinib,1111556-37-6,1111556376,EDHS-206,EDHS206,"3-N-(1-propylbenzimidazol-2-yl)benzene-1,3-dicarboxamide","3N(1propylbenzimidazol2yl)benzene1,3dicarboxamide",GTPL9655,N1-(1-Propyl-1H-benzo(d)imidaz
ol-2-yl)isophthalamide,N1(1Propyl1Hbenzo(d)imidazol2yl)isophthalamide,SCHEMBL20063046,SCHEMBL21294609,EX-A1648,EXA1648,MFCD11822633,NSC789624,s8663,ZINC30625264,CCG-267729,CCG267729,CS,T4264}

> <pdid>

> <targets>
{TAK1}

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

> <pubchem_cids>
{37750349}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    7.0625   -7.0106    0.0000 C   0  0
    6.3098   -5.7131    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0
    4.0559   -4.4171    0.0000 N   0  0
    2.5551   -4.4192    0.0000 C   0  0
    1.8073   -5.7196    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 N   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
   -5.2007   -1.4909    0.0000 C   0  0
   -5.2059   -2.9909    0.0000 C   0  0
   -5.1883    3.0099    0.0000 C   0  0
   -3.8879    3.7577    0.0000 O   0  0
   -6.4865    3.7629    0.0000 N   0  0
   -6.4844    5.2637    0.0000 C   0  0
   -7.2302    6.4740    0.0000 C   0  0
   -5.7302    6.4687    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 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  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  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
 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 25  1  0
 13 28  1  0
 28  9  1  0
 28 29  2  0
 29  7  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13683

> <plate>
PLATE 002

> <well>
E3

> <supplier_cmpd_name>
BMS-582949

> <ctcr_id>
12378

> <supplier_cmpd_id>
T6789

> <smiles>
CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C

> <pd_targets>
{MAPK14,MAPK11,CYP3A4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 3","CMGC protein kinase group","Cytochrome P450 family 3A","CMGC protein kinase MAPK family","Cytochrome P450 3A4","CMGC prote
in kinase p38 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","Cytochrome P450","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","Mitogen-activated protein kinases (MAP kinases)","p38 subfamily"}

> <pathway_reactome>
{"Immune System",Metabolism,"Innate Immune System","Metabolism of lipids","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","Toll Like Receptor 5 (TLR5) Cascade
","Biosynthesis of DHA-derived SPMs","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","MAP kinase activation","Biosynthesis of maresin-like SPMs","MAPK targets/ Nuclear events m
ediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{}

> <broad_moa>
{"p38 MAPK inhibitor"}

> <synonyms>
{MS58294,BMS-582949,BMS582949,623152-17-0,623152170,"BMS 582949",UNII-CR743OME9E,UNIICR743OME9E,PS540446,"BMS582949 free base",CR743OME9E,CHEMBL1230065,"623152-17-0 (free base)","623152170 (free base)
",PS-540446,3mvl,SCHEMBL254996,GTPL7838,DTXSID90211380,BCP14356,EX-A1265,EXA1265,BDBM50327009,MFCD18633248,NSC,T6789,T3462,"BMS-582949 HCl"}

> <pdid>
PD050860

> <targets>
{"p38 MAPK"}

> <classes>
{MAPK}

> <pubchem_cids>
{10409068}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 28 27  0  0  0  0            999 V2000
   21.7928   -0.7520    0.0000 Cr  0  1
    3.8976   -0.7553    0.0000 O   0  5
    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 N   0  0
   11.5949   -0.7553    0.0000 O   0  5
   10.2945   -1.5031    0.0000 C   0  0
   10.2924   -3.0031    0.0000 O   0  0
    8.9963   -0.7500    0.0000 C   0  0
    8.9963    0.7500    0.0000 C   0  0
    7.6973    1.5000    0.0000 C   0  0
    6.3982    0.7500    0.0000 C   0  0
    6.3983   -0.7500    0.0000 C   0  0
    7.6973   -1.5000    0.0000 N   0  0
   19.2922   -0.7553    0.0000 O   0  5
   17.9918   -1.5031    0.0000 C   0  0
   17.9897   -3.0031    0.0000 O   0  0
   16.6936   -0.7500    0.0000 C   0  0
   16.6936    0.7500    0.0000 C   0  0
   15.3946    1.5000    0.0000 C   0  0
   14.0955    0.7500    0.0000 C   0  0
   14.0955   -0.7500    0.0000 C   0  0
   15.3946   -1.5000    0.0000 N   0  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 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
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
M  CHG  4   1   3   2  -1  11  -1  20  -1
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13684

> <plate>
PLATE 002

> <well>
E4

> <supplier_cmpd_name>
Chromium picolinate

> <ctcr_id>
11296

> <supplier_cmpd_id>
T4575

> <smiles>
[Cr+3].[O-]C(=O)c1ccccn1.[O-]C(=O)c1ccccn1.[O-]C(=O)c1ccccn1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Chromium picolinate",14639-25-9,14639259,"Chromium(III) Pyridine-2-carboxylate","Chromium(III) Pyridine2carboxylate","Chromium(III) Picolinate",chromiumpicolinate,UNII-S71T8B8Z6P,UNIIS71T8B8Z6P,C18H
12CrN3O6,"Chromium (III) picolinate;Cr(Pic)3","CCRIS 8310","chromium(3+) tripyridine-2-carboxyl","chromium(3+) tripyridine2carboxyl",T4575}

> <pdid>

> <targets>
{p38,DNA mutation,Others}

> <classes>
{MAPK,DNA Damage/DNA Repair,Others}

> <pubchem_cids>
{151932}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 31 33  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -5.1968    1.5003    0.0000 C   0  0
   -6.4948    0.7483    0.0000 C   0  0
   -7.7950    1.4963    0.0000 C   0  0
   -9.0920    0.7411    0.0000 N   0  0
   -9.0875   -0.7597    0.0000 C   0  0
   -7.7860   -1.5054    0.0000 O   0  0
  -10.3845   -1.5148    0.0000 N   0  0
  -10.3800   -3.0157    0.0000 C   0  0
  -11.6770   -3.7708    0.0000 C   0  0
  -11.6725   -5.2716    0.0000 C   0  0
  -12.9687   -6.0264    0.0000 C   0  0
  -11.6672   -6.7716    0.0000 C   0  0
  -10.3709   -6.0173    0.0000 C   0  0
   -7.7974    2.9963    0.0000 C   0  0
   -9.0976    3.7442    0.0000 F   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
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 12  6  1  0
 12 13  2  0
 13  3  1  0
  8 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 16 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 14  1  0
 30 31  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13685

> <plate>
PLATE 002

> <well>
E5

> <supplier_cmpd_name>
LY3009120

> <ctcr_id>
12481

> <supplier_cmpd_id>
T6882

> <smiles>
CNc1ncc2cc(c(C)nc2n1)-c1cc(NC(=O)NCCC(C)(C)C)c(F)cc1C

> <pd_targets>
{RAF1,KDR,BRAF,ARAF,MAP3K1,MAP4K5,ABL1,MAP2K5,MAPK11,MAPK12,MAPK13,MAPK14,FYN,CSK,IRAK1,KRAS,EPHA2,MAPK10,MAPK8,MAPK9,EIF2AK4,SRC,MAP3K20,EPHB4}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","TKL protein kinase group","TK protein kinase group","STE protein kinase group","CMGC protein kinase group","Other protein kinase group","TKL pro
tein kinase RAF family","Tyrosine protein kinase VEGFR family","STE protein kinase STE11 family","STE protein kinase STE20 family","Tyrosine protein kinase Abl family","STE protein kinase STE7 family"
,"CMGC protein kinase MAPK family","Tyrosine protein kinase Src family","Tyrosine protein kinase Csk family","TKL protein kinase IRAK family","Tyrosine protein kinase Eph family","Other protein kinase
 PEK family","TKL protein kinase MLK family","STE protein kinase KHS subfamily","CMGC protein kinase p38 subfamily","Tyrosine protein kinase SrcA","CMGC protein kinase JNK subfamily","Other protein ki
nase GCN2 subfamily","TKL protein kinase MLK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","3.6.5.2 Small monomeric GTPases","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","RAS subfamily
","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","STE11 family","STE20 family","STE7 family","Other protein kinases","RAF family","Receptor tyrosine kinases (RTKs)","KHS subfamily","Non-receptor ty
rosine kinases (nRTKs)","Interleukin-1 receptor-associated kinase (IRAK) family","PEK family","Mixed Lineage Kinase (MLK) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor fami
ly","Abl family","Src family","Csk family","Type XIII RTKs: Ephrin receptor family","GCN2 subfamily","MLK subfamily"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Immune System","Neuronal System","Developmental Biology","Cellular responses to external stimuli","MAPK family signaling cascades","Signaling by Receptor Tyrosine Kinas
es","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","Infectious disease","Transmission across Chemical Synapses","Nervous system development",
"Cellular responses to stress","MAPK1/MAPK3 signaling","Signaling by VEGF","Signaling by NTRKs","Oncogenic MAPK signaling","Toll-like Receptor Cascades","Leishmania infection","HIV Infection","Neurotr
ansmitter receptors and postsynaptic signal transmission","Axon guidance","Response of EIF2AK4 (GCN2) to amino acid deficiency","RAF/MAP kinase cascade","VEGFA-VEGFR2 Pathway","Signaling by NTRK1 (TRK
A)","Signaling by RAS mutants","Toll Like Receptor 2 (TLR2) Cascade","Parasite infection","Host Interactions of HIV factors","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and pos
tsynaptic events","EPH-Ephrin signaling","Negative regulation of MAPK pathway","VEGFR2 mediated cell proliferation","Signalling to ERKs","Signaling downstream of RAS mutants","Toll Like Receptor TLR6:
TLR2 Cascade","Leishmania phagocytosis","Signalling to ERK5","The role of Nef in HIV-1 replication and disease pathogenesis","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation
 events","EPHA-mediated growth cone collapse","EPHB-mediated forward signaling","Negative feedback regulation of MAPK pathway","Prolonged ERK activation events","MyD88:MAL(TIRAP) cascade initiated on 
plasma membrane","FCGR3A-mediated phagocytosis","Nef and signal transduction","MAP kinase activation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Signalling to 
RAS","ARMS-mediated activation","activated TAK1 mediates p38 MAPK activation","Ras activation upon Ca2+ influx through NMDA receptor","p38MAPK events"}

> <broad_targets>
{BRAF,RAF1}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{LY3009120,1454682-72-4,1454682724,LY-3009120,DP-4978,DP4978,UNII-1GDT36RARO,UNII1GDT36RARO,"LY 3009120",1GDT36RARO,"DP 4978",CHEMBL3577124,GTPL8943,SCHEMBL15241297,CHEBI:167662,BCP23869,EX-A1638,EXA1
638,BDBM50096279,NSC781761,NSC801010,s7842,ZINC205861291,CCG-268937,CCG268937,NSC-781761,N,T6882}

> <pdid>
PD012833

> <targets>
{B-Raf (WT),B-Raf (V600E),C-Raf,Autophagy,Raf}

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

> <pubchem_cids>
{71721540}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 35 37  0  0  1  0            999 V2000
    6.3978    0.1642    0.0000 Na  0  3
   -0.2823   -5.5001    0.0000 C   0  0
   -0.7300   -4.0685    0.0000 C   0  0  2  0  0  0
   -2.1946   -3.7406    0.0000 C   0  0
   -3.2115   -4.8444    0.0000 C   0  0
   -4.6761   -4.5166    0.0000 C   0  0
   -5.1237   -3.0850    0.0000 O   0  0
   -5.6930   -5.6204    0.0000 N   0  0
   -7.1576   -5.2926    0.0000 C   0  0
   -8.1745   -6.3964    0.0000 C   0  0
   -9.6390   -6.0685    0.0000 S   0  0
  -10.0867   -4.6369    0.0000 O   0  5
  -10.6554   -7.1717    0.0000 O   0  0
  -11.1027   -5.7402    0.0000 O   0  0
    0.2851   -2.9666    0.0000 C   0  0  1  0  0  0
    1.7758   -3.1329    0.0000 C   0  0
    2.3947   -1.7666    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    2.5981    1.5000    0.0000 C   0  0  1  0  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  2  0  0  0
    1.2990    5.2500    0.0000 C   0  0
    0.0000    6.0000    0.0000 C   0  0  2  0  0  0
   -0.0001    7.5000    0.0000 O   0  0
   -1.2991    5.2500    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  1  0  0  0
   -1.2991    2.2500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -1.2212   -2.3711    0.0000 C   0  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 11 14  2  0
  3 15  1  0
 15 16  1  6
 16 17  1  0
 18 17  1  6
 19 18  1  1
 19 20  1  0
 20 21  1  6
 20 22  1  0
 23 22  1  1
 23 24  1  0
 24 25  1  0
 25 26  1  1
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 23  1  0
 29 30  1  6
 29 31  1  0
 31 19  1  0
 31 32  1  6
 32 33  1  0
 33 34  1  0
 34 15  1  0
 34 18  1  0
 34 35  1  6
M  CHG  2   1   1  12  -1
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13686

> <plate>
PLATE 002

> <well>
E6

> <supplier_cmpd_name>
Sodium Tauroursodeoxycholate (TUDC)

> <ctcr_id>
12517

> <supplier_cmpd_id>
T6993

> <smiles>
[Na+].C[C@H](CCC(=O)NCCS([O-])(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{4482AB,"Sodium tauroursodeoxycholate","Tauroursodeoxycholic acid sodium salt",35807-85-3,35807853,"Tauroursodeoxycholate Sodium","Sodium Tauroursodeoxycholate (TUDC)",UNII-6X4JLR867N,UNII6X4JLR867N,"
Tauroursodeoxycholate (Sodium)",6X4JLR867N,"Sodium taurochenodeoxycholate",T6993}

> <pdid>

> <targets>
{Caspase,ERK}

> <classes>
{Apoptosis,MAPK,"Stem Cells"}

> <pubchem_cids>
{46782978}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 38 42  0  0  0  0            999 V2000
   13.0254   -3.6030    0.0000 C   0  0
   13.9064   -2.3890    0.0000 C   0  0
   15.3982   -2.5453    0.0000 C   0  0
   14.5171   -3.7590    0.0000 C   0  0
   13.2970   -1.0202    0.0000 C   0  0
   11.8298   -0.7084    0.0000 C   0  0
   11.6919    0.7725    0.0000 C   0  0
   10.3906    1.5203    0.0000 N   0  0
    9.0920    0.7681    0.0000 C   0  0
    9.0945   -0.7319    0.0000 O   0  0
    7.7907    1.5158    0.0000 N   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   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
   -3.8971   -3.7500    0.0000 O   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
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    5.1852    3.0091    0.0000 F   0  0
   13.0433    1.3935    0.0000 N   0  0
   14.0470    0.2788    0.0000 N   0  0
   13.3466    2.8633    0.0000 C   0  0
   12.3117    3.9418    0.0000 C   0  0
   12.7305    5.3821    0.0000 C   0  0
   14.1873    5.7395    0.0000 C   0  0
   15.2252    4.6566    0.0000 C   0  0
   14.8064    3.2163    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  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 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
 26 27  1  0
 27 17  1  0
 27 21  2  0
 15 28  1  0
 28 29  2  0
 29 12  1  0
 29 30  1  0
  7 31  1  0
 31 32  1  0
 32  5  2  0
 31 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 38 33  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13687

> <plate>
PLATE 002

> <well>
E7

> <supplier_cmpd_name>
CCT196969

> <ctcr_id>
12353

> <supplier_cmpd_id>
T4133

> <smiles>
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)cnc34)cc2F)n(n1)-c1ccccc1

> <pd_targets>
{BRAF,RAF1,LCK,SRC}

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

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

> <pathway_reactome>
{"Signal Transduction",Disease,"Signaling by Receptor Tyrosine Kinases","MAPK family signaling cascades","Infectious disease","Signaling by NTRKs","MAPK1/MAPK3 signaling","HIV Infection","Signaling by
 NTRK1 (TRKA)","RAF/MAP kinase cascade","Host Interactions of HIV factors","Signalling to ERKs","Negative regulation of MAPK pathway","The role of Nef in HIV-1 replication and disease pathogenesis","P
rolonged ERK activation events","Negative feedback regulation of MAPK pathway","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Signalling to RAS","ARM
S-mediated activation","Nef Mediated CD4 Down-regulation","p38MAPK events"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MFCD28384201,CCT196969,1163719-56-9,1163719569,CHEMBL4216588,CCT-196969,GTPL9815,SCHEMBL3761639,BCP19551,EX-A1598,EXA1598,BDBM50457449,s7743,ZINC43205799,AKOS027422849,CCG-269799,CCG269799,CS-6229,CS
6229,HY-12846,HY12846,T4133}

> <pdid>
PD063586

> <targets>
{Raf,Src,C-RAF}

> <classes>
{MAPK,Angiogenesis}

> <pubchem_cids>
{42628843}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    4.6581   -2.9476    0.0000 C   0  0
    3.1905   -2.6376    0.0000 C   0  0
    2.1885   -3.7539    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 N   0  0
    3.1884    2.6409    0.0000 C   0  0
    2.2737    3.8235    0.0000 C   0  0
    2.8432    5.2111    0.0000 C   0  0
    4.3298    5.4118    0.0000 C   0  0
    5.2468    4.2247    0.0000 C   0  0
    4.6773    2.8370    0.0000 C   0  0
    4.9024    6.7990    0.0000 N   0  0
    6.3901    6.9977    0.0000 C   0  0
    7.3050    5.8090    0.0000 O   0  0
    6.9627    8.3849    0.0000 N   0  0
    8.4504    8.5835    0.0000 C   0  0
    9.0248    9.9692    0.0000 C   0  0
   10.5120   10.1647    0.0000 C   0  0
   11.4249    8.9745    0.0000 C   0  0
   10.8506    7.5888    0.0000 C   0  0
    9.3634    7.3933    0.0000 C   0  0
   11.7640    6.3979    0.0000 C   0  0
   13.2513    6.5925    0.0000 F   0  0
   11.1892    5.0124    0.0000 F   0  0
   12.6763    5.2073    0.0000 F   0  0
    8.1119   11.1595    0.0000 F   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0000    3.0000    0.0000 N   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  3
  8  4  1  0
  7  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
 15 16  1  0
 16 17  2  0
 16 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
 23 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 20 29  1  0
  6 30  1  0
 30 31  2  3
 31 32  1  0
 32 33  2  3
 33  5  1  0
 30 34  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13688

> <plate>
PLATE 002

> <well>
E8

> <supplier_cmpd_name>
AD80

> <ctcr_id>
12355

> <supplier_cmpd_id>
T4301

> <smiles>
CC(C)N1C2=C(C(=N1)C3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F)C(=NC=N2)N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AD80,1384071-99-1,1384071991,AD-80,SCHEMBL14985438,BCP25106,EX-A1372,EXA1372,s8518,ZB1526,ZINC205928292,CCG-269478,CCG269478,CS-6926,CS6926,BS-15325,BS15325,HY-101963,HY101963,AK00783056,T4301}

> <pdid>
PD078303

> <targets>
{c-RET,Src,"S6 Kinase",RET,RAF,SRC,S6K}

> <classes>
{"Tyrosine Kinase/Adaptors",MAPK,Angiogenesis,"PI3K/Akt/mTOR signaling"}

> <pubchem_cids>
{71578106}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 N   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
    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
   -0.0072    7.5009    0.0000 O   0  0
   -1.3026    5.2488    0.0000 N   0  0
   -2.6051    5.9945    0.0000 C   0  0
   -3.9026    5.2401    0.0000 C   0  0
   -5.2055    5.9835    0.0000 C   0  0
   -6.5007    5.2270    0.0000 C   0  0
   -6.4931    3.7270    0.0000 C   0  0
   -5.1903    2.9835    0.0000 C   0  0
   -5.1828    1.4836    0.0000 Cl  0  0
   -3.8951    3.7401    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  2  2  0
 10  5  1  0
  7 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 18  1  0
 16 25  1  0
 25 11  2  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13689

> <plate>
PLATE 002

> <well>
E9

> <supplier_cmpd_name>
SLV-2436

> <ctcr_id>
13450

> <supplier_cmpd_id>
T4424

> <smiles>
Nc1nnc2cc(ccc12)-c1ccc(=O)n(Cc2cccc(Cl)c2)c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{LV243,SLV-2436,SLV2436,2095704-43-9,2095704439,SEL-201,SEL201,SCHEMBL18764462,BCP29427,s6888,BS-15825,BS15825,HY-112113,HY112113,CS-0043363,CS0043363,5-(3-amino-1H-indazol-6-yl)-1-(3-chlorobenzyl)pyr
idin-2(1H)-one,5(3amino1Hindazol6yl)1(3chlorobenzyl)pyridin2(1H)one,NC1=NNC2=CC(=CC=C12)C=1C=CC(N(C=1)CC1=CC(=CC=C1)Cl)=O,5-(3-Amino-1H-indazol-6-yl)-1-,5(3Amino1Hindazol6yl)1,T4424}

> <pdid>

> <targets>
{MNK1,MNK2,MNK}

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

> <pubchem_cids>
{129052025}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 36 38  0  0  0  0            999 V2000
    6.4848   -8.2644    0.0000 C   0  0
    5.1873   -7.5117    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4897   -5.2632    0.0000 O   0  0
    3.8912   -5.2578    0.0000 N   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 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -2.7343   -2.9815    0.0000 C   0  0
   -4.2010   -3.2957    0.0000 N   0  0
   -4.9530   -1.9978    0.0000 N   0  0
   -3.9511   -0.8815    0.0000 C   0  0
   -4.2568    0.5878    0.0000 C   0  0
   -5.7171    0.9385    0.0000 C   0  0
   -6.1382    2.3782    0.0000 C   0  0
   -7.5955    2.7333    0.0000 Cl  0  0
   -5.1020    3.4627    0.0000 C   0  0
   -3.6446    3.1076    0.0000 C   0  0
   -2.6100    4.1948    0.0000 N   0  0
   -3.0334    5.6347    0.0000 S   0  0
   -1.9994    6.7214    0.0000 O   0  0
   -4.4914    5.9873    0.0000 O   0  0
   -3.4573    7.0736    0.0000 C   0  0
   -3.2235    1.6679    0.0000 C   0  0
   -1.7662    1.3123    0.0000 F   0  0
   -4.8110   -4.6641    0.0000 C   0  0
   -6.3028   -4.8211    0.0000 C   0  0
   -3.9296   -5.8778    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
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 16  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  2  0
 28 31  1  0
 26 32  2  0
 32 21  1  0
 32 33  1  0
 18 34  1  0
 34 35  1  0
 34 36  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13690

> <plate>
PLATE 002

> <well>
E10

> <supplier_cmpd_name>
Encorafenib

> <ctcr_id>
7884

> <supplier_cmpd_id>
T6487

> <smiles>
COC(=O)NC(C)CNc1nccc(n1)c2cn(nc2c3cc(Cl)cc(NS(=O)(=O)C)c3F)C(C)C

> <pd_targets>
{BRAF,MAPK14,CCND1}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Kinase,"Protein Kinase","TKL protein kinase group","CMGC protein kinase group","TKL protein kinase RAF family","CMGC protein kinase MAPK family","CMGC protein kinase 
p38 subfamily"}

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

> <pathway_reactome>
{"Signal Transduction","Immune System","Cell Cycle","Signaling by Receptor Tyrosine Kinases","Innate Immune System",Mitotic,"Signaling by NTRKs","Toll-like Receptor Cascades","Mitotic G1 phase and G1/
S transition","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","G1 Phase","Signalling to ERKs","MyD88 cascade initiated on plasma membrane","Cyclin D associated events in G1","Prolong
ed ERK activation events","MAP kinase activation","ARMS-mediated activation","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{BRAF}

> <broad_moa>
{"RAF inhibitor"}

> <synonyms>
{SCHEMBL8231398,CHEMBL4303479,HMS3653I05,HMS3743O11,AKOS032947259,SW220064-1,SW2200641,T6487,S7108,Encorafenib,LGX818}

> <pdid>
PD017930

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{70311789}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 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
    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
   -2.6003   -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 O   0  0
   -6.4990   -0.7410    0.0000 C   0  0
   -7.8003   -1.4887    0.0000 C   0  0
   -9.0983   -0.7369    0.0000 O   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  2  3
  8  2  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
  7 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
  5 25  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13691

> <plate>
PLATE 002

> <well>
E11

> <supplier_cmpd_name>
AZD8330

> <ctcr_id>
195

> <supplier_cmpd_id>
T6083

> <smiles>
CN1C(=O)C(=CC(=C1Nc2ccc(I)cc2F)C(=O)NOCCO)C

> <pd_targets>
{MAP2K1,MAP2K2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","STE protein kinase group","STE protein kinase STE7 family"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","STE7 family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by NTRKs","Signaling by NTRK1 (TRKA)","Signalling to ERKs","Prolonged ERK activation events","Frs2-mediated activation"}

> <broad_targets>
{MAP3K1}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{AZD8330,869357-68-6,869357686,AZD-8330,ARRY-424704,ARRY424704,ARRY-704,ARRY704,"AZD 8330",UNII-G4990BOZ66,UNIIG4990BOZ66,G4990BOZ66,"ARRY-424704, ARRY-704","ARRY424704, ARRY704",C16H17FIN3O4,"ARRY 42
4704",MLS006011055,SCHEMBL388533,GTPL8474,CHEMBL3182621,CHEBI:91424,DTXSID50235986,QCR-188,QCR188,SYN1195,BCPP000359,HMS3,T6083,S2134}

> <pdid>
PD010850

> <targets>
{MEK}

> <classes>
{MAPK}

> <pubchem_cids>
{16666708}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 26 29  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 C   0  0
   -4.2067    3.2905    0.0000 N   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -1.6193    3.9803    0.0000 C   0  0
   -0.1673    3.6256    0.0000 C   0  0
    0.8689    4.7101    0.0000 C   0  0
    0.4478    6.1498    0.0000 N   0  0
   -1.0096    6.5049    0.0000 C   0  0
   -2.0458    5.4204    0.0000 C   0  0
   -6.4469    1.8311    0.0000 C   0  0
   -7.1532    0.5134    0.0000 C   0  0
   -6.3629   -0.7616    0.0000 F   0  0
   -8.6524    0.4669    0.0000 C   0  0
   -9.4423    1.7421    0.0000 C   0  0
   -8.7329    3.0637    0.0000 C   0  0
   -7.2337    3.1102    0.0000 C   0  0
   -6.5222    4.4307    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  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 13  1  0
 10 19  1  0
 19 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 19  1  0
 25 26  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13692

> <plate>
PLATE 002

> <well>
F2

> <supplier_cmpd_name>
TA-01

> <ctcr_id>
12362

> <supplier_cmpd_id>
T4645

> <smiles>
Fc1ccc(cc1)c2nc(nc2c3ccncc3)c4c(F)cccc4F

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{CSNK1D,CSNK1E,MAPK14}

> <broad_moa>
{"casein kinase inhibitor","MAP kinase inhibitor"}

> <synonyms>
{A0,TA-01,TA01,1784751-18-3,1784751183,"TA 01","4-(2-(2,6-difluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyridine","4(2(2,6difluorophenyl)4(4fluorophenyl)1Himidazol5yl)pyridine",CHEMBL4303658,SCH
EMBL17002226,EX-A932,EXA932,BCP24229,MFCD30182287,AKOS025142105,ZINC226098299,CS-5588,CS5588,NCGC00387272-01,NCGC0038727201,HY-100114,HY100114,4-(2-(2,4(2(2,6-Difluorophe,6Difluorophe,T4645}

> <pdid>
PD069456

> <targets>
{CK1?,CK1¦Ä,"p38 MAPK"}

> <classes>
{Metabolism,MAPK}

> <pubchem_cids>
{91691129}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 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 C   0  0
   -4.2067    3.2905    0.0000 N   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -1.6193    3.9803    0.0000 C   0  0
   -0.1673    3.6256    0.0000 C   0  0
    0.8689    4.7101    0.0000 C   0  0
    0.4478    6.1498    0.0000 N   0  0
   -1.0096    6.5049    0.0000 C   0  0
   -2.0458    5.4204    0.0000 C   0  0
   -6.4469    1.8311    0.0000 C   0  0
   -7.2337    3.1102    0.0000 C   0  0
   -8.7329    3.0637    0.0000 C   0  0
   -9.4423    1.7421    0.0000 C   0  0
   -8.6524    0.4669    0.0000 C   0  0
   -7.1532    0.5134    0.0000 C   0  0
   -6.3629   -0.7616    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  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 13  1  0
 10 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 24 25  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13693

> <plate>
PLATE 002

> <well>
F3

> <supplier_cmpd_name>
TA-02

> <ctcr_id>
12363

> <supplier_cmpd_id>
T4646

> <smiles>
Fc1ccc(cc1)c2nc(nc2c3ccncc3)c4ccccc4F

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{A0,TA-02,TA02,1784751-19-4,1784751194,"TA 02",4-(2-(2-Fluorophenyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyridine,4(2(2Fluorophenyl)4(4fluorophenyl)1Himidazol5yl)pyridine,4-(2-(2-fluorophenyl)-4-(4-fl
uorophenyl)-1H-imidazol-5-yl)pyridine,4(2(2fluorophenyl)4(4fluorophenyl)1Himidazol5yl)pyridine,SCHEMBL17002317,EX-A933,EXA933,BCP24228,MFCD29924749,s6807,AKOS025142106,ZINC226098311,CS-,CS,T4646}

> <pdid>
PD069454

> <targets>
{"p38 MAPK"}

> <classes>
{MAPK}

> <pubchem_cids>
{91691130}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 45 49  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 F   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 F   0  0
    3.8975   -2.2510    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8934   -5.2570    0.0000 C   0  0
   -5.1924   -6.0071    0.0000 C   0  0
   -5.1893   -7.5079    0.0000 N   0  0
   -3.8884   -8.2564    0.0000 C   0  0
   -2.5907   -7.5041    0.0000 O   0  0
   -3.8853   -9.7573    0.0000 C   0  0
   -2.6718  -10.6170    0.0000 C   0  0
   -3.1352  -12.0436    0.0000 N   0  0
   -4.6352  -12.0437    0.0000 C   0  0
   -5.5184  -13.2540    0.0000 N   0  0
   -7.0107  -13.0950    0.0000 C   0  0
   -7.8967  -14.3055    0.0000 N   0  0
   -9.3879  -14.1435    0.0000 C   0  0
  -10.2738  -15.3540    0.0000 C   0  0
   -9.9933  -12.7711    0.0000 N   0  0
   -9.1074  -11.5606    0.0000 C   0  0
   -7.6162  -11.7226    0.0000 C   0  0
   -9.7131  -10.1875    0.0000 N   0  0
  -11.2042  -10.0231    0.0000 C   0  0
  -11.8074   -8.6498    0.0000 C   0  0
  -10.9196   -7.4407    0.0000 N   0  0
  -11.5203   -6.0653    0.0000 C   0  0
  -10.6303   -4.8569    0.0000 C   0  0
  -11.2307   -3.4822    0.0000 O   0  0
   -9.4286   -7.6050    0.0000 C   0  0
   -8.8254   -8.9784    0.0000 C   0  0
   -5.0988  -10.6171    0.0000 S   0  0
   -6.4914   -5.2571    0.0000 C   0  0
   -7.7905   -6.0071    0.0000 C   0  0
   -6.4915   -3.7571    0.0000 C   0  0
   -5.1925   -3.0071    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
  9 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  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  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 30 31  2  0
 31 25  1  0
 30 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 35 39  1  0
 39 40  1  0
 40 32  1  0
 23 41  1  0
 41 20  1  0
 16 42  2  0
 42 43  1  0
 42 44  1  0
 44 45  2  0
 45 14  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13694

> <plate>
PLATE 002

> <well>
F4

> <supplier_cmpd_name>
UM-164

> <ctcr_id>
12347

> <supplier_cmpd_id>
T4597

> <smiles>
FC(F)(F)c1cccc(c1)C(=O)Nc5cc(NC(=O)c4cnc(Nc2nc(C)nc(c2)N3CCN(CCO)CC3)s4)c(C)cc5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{M16,UM-164,UM164,903564-48-7,903564487,DAS-DFGO-II,DASDFGOII,SCHEMBL1704785,BDBM185671,BCP29207,EX-A1882,EXA1882,s8706,"UM 164","UM164,","UM 164;UM-164","UM 164;UM164",CCG-264693,CCG264693,"UM-164,",
HY-112182,HY112182,CS-0043628,CS0043628,"UM-164 trifluoroacetate salt, >=98 (HPLC)","UM164 trifluoroacetate salt, >=98 (HPLC)",T4597}

> <pdid>
PD088197

> <targets>
{c-Src,p38¦Á,p38¦Â,Autophagy,p38 MAPK,Src}

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

> <pubchem_cids>
{11714353}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    2.6447  -10.0919    0.0000 C   0  0
    1.1765   -9.7848    0.0000 C   0  0
    0.7083   -8.3597    0.0000 C   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
   -3.2283   -8.8637    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
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.8818   -2.5602    0.0000 O   0  0
    4.3452   -0.0183    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  7  2  3
  7  2  1  0
  5  8  1  0
  4  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  2  3
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 15  1  0
 20 12  1  0
 14 21  1  0
 21 22  2  0
 21 23  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13695

> <plate>
PLATE 002

> <well>
F5

> <supplier_cmpd_name>
ML-098

> <ctcr_id>
12826

> <supplier_cmpd_id>
T4619

> <smiles>
CC1=CC(=C(C=C1)C)OCCN2C=C(C3=CC=CC=C32)C(=O)O

> <pd_targets>
{RAC1,RAB2A,CDC42}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Developmental Biology","Cell Cycle",Disease,"Nervous system development",Mitotic,"Infectious disease","Axon guidance","M Phase","Leishmania infection","Semaphorin interactions","Mitotic Prophase","P
arasite infection","Sema4D in semaphorin signaling","Golgi Cisternae Pericentriolar Stack Reorganization","Leishmania phagocytosis","Sema4D mediated inhibition of cell attachment and migration","FCGR3
A-mediated phagocytosis"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{L09,ML-098,ML098,878978-76-8,878978768,"1-(2-(2,5-dimethylphenoxy)ethyl)-1H-indole-3-carboxylic acid","1(2(2,5dimethylphenoxy)ethyl)1Hindole3carboxylic acid","1-(2-(2,5-dimethylphenoxy)ethyl)-3-indol
ecarboxylic acid","1(2(2,5dimethylphenoxy)ethyl)3indolecarboxylic acid",UNM-0000305818,UNM0000305818,"1-(2-(2,5-dimethylphenoxy)ethyl)indole-3-carboxylic Acid","1(2(2,5dimethylphenoxy)ethyl)indole3car
boxylic Acid",CID-7345532,CID7345532,MLS000689786,CH,T4619}

> <pdid>
PD016031

> <targets>
{Rab7}

> <classes>
{MAPK}

> <pubchem_cids>
{7345532}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 37 42  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 S   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   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
   -2.5765    7.5048    0.0000 O   0  0
   -1.2731    8.2489    0.0000 C   0  0
    0.0208    7.4899    0.0000 N   0  0
    1.3250    8.2309    0.0000 C   0  0
    1.3354    9.7309    0.0000 C   0  0
    0.0416   10.4898    0.0000 C   0  0
   -1.2626    9.7488    0.0000 C   0  0
   -2.5571   10.5082    0.0000 C   0  0
   -3.8625    9.7693    0.0000 C   0  0
   -5.1552   10.5304    0.0000 C   0  0
   -5.1424   12.0303    0.0000 N   0  0
   -3.8370   12.7692    0.0000 C   0  0
   -3.8243   14.2692    0.0000 N   0  0
   -2.5444   12.0082    0.0000 N   0  0
   -1.2883    5.2495    0.0000 C   0  0
   -1.2935    3.7495    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 22 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
 15 30  1  0
 30 31  2  0
 31 12  1  0
 10 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37  7  1  0
 37 32  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13696

> <plate>
PLATE 002

> <well>
F6

> <supplier_cmpd_name>
AMG-900

> <ctcr_id>
3938

> <supplier_cmpd_id>
T6380

> <smiles>
Cc1csc(c1)c2nnc(Nc3ccc(Oc4ncccc4c5ccnc(N)n5)cc3)c6ccccc26

> <pd_targets>
{AURKC,AURKB,AURKA}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","Other protein kinases","Aurora kinase (Aur) family"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Mitotic,"RNA Polymerase II Transcription","M Phase","Generic Transcription Pathway","Mitotic Metaphase and Anaphase","Transcriptional Regulation by TP53
","Mitotic Anaphase","Regulation of TP53 Activity","Separation of Sister Chromatids","Regulation of TP53 Activity through Phosphorylation"}

> <broad_targets>
{AURKA,AURKB,AURKC}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{AMG-900,AMG900,"AMG 900",945595-80-2,945595802,UNII-9R2G075611,UNII9R2G075611,9R2G075611,ZINC43208325,cc-2,cc2,MLS006011192,SCHEMBL503564,C28H21N7OS,GTPL8060,CHEMBL2140408,AMG900/AMG-900,AMG900/AMG90
0,DTXSID90241526,HMS3656H17,BCP02552,EX-A1793,EXA1793,ABP000946,BDBM50466803,NSC761069,NSC799331,T6380,S2719}

> <pdid>
PD003228

> <targets>
{"Aurora Kinase"}

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

> <pubchem_cids>
{24856041}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 27 29  0  0  1  0            999 V2000
   11.5921   -0.0044    0.0000 Cl  0  0
    6.4872   -5.2588    0.0000 C   0  0
    6.4921   -3.7588    0.0000 C   0  0  1  0  0  0
    7.7945   -3.0130    0.0000 C   0  0
    9.0913   -3.7668    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
    0.0000    3.0000    0.0000 N   0  0
    1.2990    3.7500    0.0000 C   0  0
    1.2990    5.2500    0.0000 O   0  0
    2.5981    3.0000    0.0000 C   0  0
    4.0238    3.4636    0.0000 S   0  0
    4.9055    2.2500    0.0000 C   0  0
    4.0238    1.0365    0.0000 C   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
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  9 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 13  1  0
 22 18  2  0
 14 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 12  1  0
 26 27  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13697

> <plate>
PLATE 002

> <well>
F7

> <supplier_cmpd_name>
OTS514 hydrochloride(1338540-63-8(free base))

> <ctcr_id>
12749

> <supplier_cmpd_id>
T4134

> <smiles>
Cl.C[C@@H](CN)c1ccc(cc1)c1c2c([nH]c(=O)c3sccc23)c(C)cc1O

> <pd_targets>
{NEK1,PBK}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","Other protein kinases","NIMA (never in mitosis gene a)- related kinase (NEK) family","TOPK family"}

> <pathway_reactome>
{}

> <broad_targets>
{}

> <broad_moa>
{"TOPK inhibitor"}

> <synonyms>
{"OTS514 (hydrochloride)","OTS514 HCl","OTS514 hydrochloride","1338540-63-8 (free base)","1338540638 (free base)",CHEMBL4537262,SCHEMBL16908853,EX-A1932,EXA1932,"1338540-63-8(free base)","1338540638(f
ree base)",HY-18621A,HY18621A,s7652,CCG-268659,CCG268659,CS-0110966,CS0110966,T4134,"OTS514 hydrochloride(1338540-63-8(free base))"}

> <pdid>
PD057128

> <targets>
{TOPK}

> <classes>
{MAPK}

> <pubchem_cids>
{92044487}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    5.1873   -7.5109    0.0000 O   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 O   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.6003    1.4978    0.0000 N   0  0
    2.6044    2.9986    0.0000 C   0  0
    3.9039    3.7478    0.0000 C   0  0
    5.2024    2.9970    0.0000 F   0  0
    3.9048    5.2478    0.0000 C   0  0
    2.6063    5.9987    0.0000 C   0  0
    2.6073    7.4987    0.0000 I   0  0
    1.3068    5.2495    0.0000 C   0  0
    1.3058    3.7495    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -0.3115    2.9665    0.0000 C   0  0
   -1.8032    3.1233    0.0000 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  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  1  0
 11 12  2  3
 12 13  1  0
 12 14  1  0
 14 15  2  3
 15 16  1  0
 15 17  1  0
 17 18  2  3
 18 11  1  0
  9 19  1  0
 19 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  3
 23 19  1  0
 23 24  1  0
 24 25  2  3
 25  8  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13698

> <plate>
PLATE 002

> <well>
F8

> <supplier_cmpd_name>
GDC-0623

> <ctcr_id>
12738

> <supplier_cmpd_id>
T6843

> <smiles>
OCCONC(=O)C1=C(NC2=C(F)C=C(I)C=C2)N2C=NC=C2C=C1

> <pd_targets>
{KCNH2,MAP2K1}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Voltage-gated ion channel",Kinase,"Potassium channels","Protein Kinase","Voltage-gated potassium channel","STE protein kinase group","STE protein kinase STE7 family"}

> <pathway_chembl>
{"Ion channels",Enzymes,"Voltage-gated ion channels","Kinases (EC 2.7.x.x)","Potassium channels","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Voltage-gated potassium channels"
,"STE7 family"}

> <pathway_reactome>
{"Muscle contraction","Signal Transduction","Cardiac conduction","Signaling by Receptor Tyrosine Kinases","Phase 3 - rapid repolarisation","Signaling by NTRKs","Signaling by NTRK1 (TRKA)","Signalling 
to ERKs","Prolonged ERK activation events","Frs2-mediated activation"}

> <broad_targets>
{}

> <broad_moa>
{"MEK inhibitor"}

> <synonyms>
{DC062,GDC-0623,GDC0623,1168091-68-6,1168091686,"GDC 0623","RG 7421",UNII-HW67545I4Q,UNIIHW67545I4Q,G-868,G868,HW67545I4Q,RG-7420,RG7420,RG-7421,RG7421,GTPL9909,SCHEMBL1615104,CHEMBL3330650,CHEBI:1676
59,AOB87143,BCP28689,EX-A2060,EXA2060,BDBM50025226,MFCD25976760,NSC778590,NSC800998,s7553,ZINC43206,T6843}

> <pdid>
PD012548

> <targets>
{MEK,MEK1}

> <classes>
{MAPK}

> <pubchem_cids>
{42642654}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 41 45  0  0  0  0            999 V2000
   13.2871   -9.4601    0.0000 C   0  0
   12.8733   -8.0183    0.0000 C   0  0
   11.4177   -7.6557    0.0000 C   0  0
   11.0039   -6.2139    0.0000 C   0  0
   12.0427   -5.1391    0.0000 C   0  0
   13.5012   -5.4972    0.0000 C   0  0
   13.9150   -6.9390    0.0000 C   0  0
   11.7445   -3.6683    0.0000 N   0  0
   12.7521   -2.5571    0.0000 N   0  0
   12.0067   -1.2554    0.0000 C   0  0
   10.5384   -1.5621    0.0000 C   0  0
   10.3953   -3.0425    0.0000 C   0  0
    9.0914   -3.7857    0.0000 N   0  0
    7.7954   -3.0289    0.0000 C   0  0
    7.8032   -1.5289    0.0000 O   0  0
    6.4915   -3.7721    0.0000 N   0  0
    5.1954   -3.0153    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 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    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
   -3.8794    1.4442    0.0000 C   0  0
   -4.8823    2.5608    0.0000 C   0  0
   -6.3501    2.2516    0.0000 O   0  0
   -1.8032    3.1233    0.0000 N   0  0
   -0.3115    2.9665    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    2.5795   -7.5040    0.0000 F   0  0
    3.8864   -5.2585    0.0000 C   0  0
   12.6209    0.1112    0.0000 C   0  0
   14.1131    0.2637    0.0000 C   0  0
   11.7430    1.3275    0.0000 C   0  0
   13.2351    1.4796    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12  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  1  0
 18 19  2  3
 19 20  1  0
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  2  3
 24 25  1  0
 25 26  2  3
 26 21  1  0
 24 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 27 31  1  0
 31 32  2  3
 32 23  1  0
 19 33  1  0
 33 34  2  3
 34 35  1  0
 35 36  1  0
 35 37  2  3
 37 18  1  0
 10 38  1  0
 38 39  1  0
 38 40  1  0
 38 41  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13699

> <plate>
PLATE 002

> <well>
F9

> <supplier_cmpd_name>
Pexmetinib

> <ctcr_id>
12367

> <supplier_cmpd_id>
T6934

> <smiles>
CC1=CC=C(C=C1)N1N=C(C=C1NC(=O)NCC1=C(OC2=CC3=C(C=C2)N(CCO)N=C3)C=CC(F)=C1)C(C)(C)C

> <pd_targets>
{FLT1,TEK,FYN,MAPK14,ABL2,HCK,LYN,FLT4,MAPK11,ABL1,FGFR1,MINK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","CMGC protein kinase group","STE protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Tie family","Tyrosine p
rotein kinase Src family","CMGC protein kinase MAPK family","Tyrosine protein kinase Abl family","Tyrosine protein kinase FGFR family","STE protein kinase STE20 family","Tyrosine protein kinase SrcA",
"CMGC protein kinase p38 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","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",
"TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","STE20 family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","p38 subfamily","MSN subfamily","Type 
IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Src family","Abl family","Type V RTKs: FGF (fibroblast growth factor) recepto
r family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Immune System","Developmental Biology","Cellular responses to external stimuli","Signaling by Receptor Tyrosine Kinases","MAPK family signaling cascades","Infectious di
sease","Innate Immune System","Nervous system development","Diseases of signal transduction by growth factor receptors and second messengers","Cellular responses to stress","Signaling by VEGF","MAPK1/
MAPK3 signaling","HIV Infection","Toll-like Receptor Cascades","Axon guidance","Leishmania infection","Signaling by FGFR in disease","Cellular Senescence","VEGF ligand-receptor interactions","RAF/MAP 
kinase cascade","Host Interactions of HIV factors","Toll Like Receptor 5 (TLR5) Cascade","Signaling by ROBO receptors","Leishmania parasite growth and survival","Parasite infection","Signaling by FGFR
1 in disease","Oxidative Stress Induced Senescence","VEGF binds to VEGFR leading to receptor dimerization","The role of Nef in HIV-1 replication and disease pathogenesis","MyD88 cascade initiated on p
lasma membrane","Role of ABL in ROBO-SLIT signaling","Anti-inflammatory response favouring Leishmania parasite infection","Leishmania phagocytosis","FGFR1 mutant receptor activation","Nef and signal t
ransduction","MAP kinase activation","FCGR3A-mediated IL10 synthesis","FCGR3A-mediated phagocytosis","Signaling by activated point mutants of FGFR1","MAPK targets/ Nuclear events mediated by MAP kinas
es","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{MAPK14,TEK}

> <broad_moa>
{"MAP kinase inhibitor","TIE tyrosine kinase inhibitor"}

> <synonyms>
{Pexmetinib,945614-12-0,945614120,ARRY-614,ARRY614,"Pexmetinib (ARRY-614)","Pexmetinib (ARRY614)",UNII-3750D0U8B5,UNII3750D0U8B5,3750D0U8B5,"Pexmetinib (INN)",Pexmetinib;ARRY-614,Pexmetinib;ARRY614,Pe
xmetinib(ARRY-614),Pexmetinib(ARRY614),SCHEMBL379035,GTPL9917,CHEMBL3991932,BCP28410,EX-A1421,EXA1421,NSC778367,NSC800844,s7799,ZINC41747181,T6934}

> <pdid>
PD021544

> <targets>
{"p38 MAPK",Tie-2,Autophagy}

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

> <pubchem_cids>
{24765037}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 34 38  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
   -0.4281   -9.2575    0.0000 N   0  0
    0.1128  -10.6566    0.0000 C   0  0
   -0.8284  -11.8246    0.0000 C   0  0
   -2.3105  -11.5936    0.0000 N   0  0
   -3.2516  -12.7616    0.0000 C   0  0
   -2.8514  -10.1945    0.0000 C   0  0
   -1.9103   -9.0265    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  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 34 28  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13700

> <plate>
PLATE 002

> <well>
F10

> <supplier_cmpd_name>
ERK5-IN-1

> <ctcr_id>
12518

> <supplier_cmpd_id>
T5184

> <smiles>
COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1

> <pd_targets>
{DCLK2,TNK1,DCLK1,GAK,MAPK7,TNK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","TK protein kinase group","Other protein kinase group","CMGC protein kinase group","CAMK protein kinase DCAMK1 family","Tyrosine protein kin
ase Ack family","Other protein kinase NAK family","CMGC protein kinase MAPK family","CMGC protein kinase ERK5"}

> <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","DCAMKL family",
"TK: Tyrosine kinase","Other protein kinases","Mitogen-activated protein kinases (MAP kinases)","Non-receptor tyrosine kinases (nRTKs)","Numb-associated kinase (NAK) family","ERK subfamily","Ack famil
y"}

> <pathway_reactome>
{"Vesicle-mediated transport","Immune System","Membrane Trafficking","Innate Immune System","trans-Golgi Network Vesicle Budding","Toll-like Receptor Cascades","Golgi Associated Vesicle Biogenesis","T
oll Like Receptor 5 (TLR5) Cascade","MyD88 cascade initiated on plasma membrane","MAP kinase activation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated
"}

> <broad_targets>
{MAPK7}

> <broad_moa>
{"MAP kinase inhibitor"}

> <synonyms>
{RK5IN,ERK5-IN-1,ERK5IN1,1234479-76-5,1234479765,XMD8-85,XMD885,CHEMBL1673039,SCHEMBL618262,CHEBI:91375,HMS3295A11,BCP19788,EX-A3073,EXA3073,BDBM50337127,ZB1553,ZINC66066276,"ERK5-IN-1  XMD 8-85","ERK
5IN1  XMD 885",ACN-034734,ACN034734,CS-4938,CS4938,"XMD17-109 (ERK5-IN-1)","XMD17109 (ERK5IN1)",BS-14786,BS14786,HY-14403,HY14403,A16232,BRD-K64857848-001-01-5,BRDK64857848001015,T5184}

> <pdid>
PD038823

> <targets>
{ERK5}

> <classes>
{MAPK}

> <pubchem_cids>
{46844147}

$$$$
TargetMol_L1400_MAPK inhibitor library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    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
   -5.1985    2.9949    0.0000 C   0  0
   -6.5002    3.7404    0.0000 C   0  0
   -7.7989    2.9882    0.0000 N   0  0
   -9.1002    3.7359    0.0000 C   0  0
   -9.1027    5.2359    0.0000 O   0  0
  -10.3989    2.9837    0.0000 C   0  0
  -11.7005    3.7292    0.0000 C   0  0
  -12.9970    2.9747    0.0000 C   0  0
  -12.9918    1.4747    0.0000 C   0  0
  -11.6902    0.7292    0.0000 C   0  0
  -10.3938    1.4836    0.0000 C   0  0
  -11.6851   -0.7716    0.0000 C   0  0
  -10.3832   -1.5168    0.0000 C   0  0
  -11.6792   -2.2716    0.0000 C   0  0
  -12.9817   -1.5273    0.0000 C   0  0
  -14.2777   -2.2826    0.0000 N   0  0
   -6.5054    5.2404    0.0000 C   0  0
   -5.2089    5.9949    0.0000 C   0  0
   -3.9073    5.2494    0.0000 C   0  0
   -2.6109    6.0039    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 19 21  1  0
 21 22  1  0
 21 23  1  0
 21 24  1  0
 24 25  3  0
 11 26  2  0
 26 27  1  0
 27 28  2  0
 28  9  1  0
 28 29  1  0
  7 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33  6  1  0
 33 34  2  0
 34  3  1  0
M  END
> <name>
TargetMol_L1400_MAPK inhibitor library

> <id>
13701

> <plate>
PLATE 002

> <well>
F11

> <supplier_cmpd_name>
AZ304

> <ctcr_id>
12475

> <supplier_cmpd_id>
T5172

> <smiles>
COc1ccc2c(Nc3cc(NC(=O)c4cccc(c4)C(C)(C)C#N)ccc3C)ncnc2c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AZ304,942507-42-8,942507428,SCHEMBL4746679,BCP31900,EX-A2996,EXA2996,AZ-304,MFCD31812677,s8755,ZB1523,"AZ-304; AZ 304","AZ304; AZ 304",BS-17942,BS17942,HY-117273,HY117273,AK00784396,CS-0064828,CS0064
828,T5172}

> <pdid>
PD102192

> <targets>
{"B-Raf (V600E)","B-Raf (WT)"}

> <classes>
{MAPK}

> <pubchem_cids>
{16202218}

$$$$
