TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 28 30  0  0  1  0            999 V2000
    6.0344    8.8940    0.0000 C   0  0
    5.6832    7.4357    0.0000 C   0  0
    6.7704    6.4012    0.0000 C   0  0  2  0  0  0
    7.8571    5.3671    0.0000 C   0  0
    8.2099    6.8259    0.0000 C   0  0
    9.2965    5.7919    0.0000 O   0  0
    8.5627    8.2847    0.0000 N   0  0
   10.0022    8.7094    0.0000 C   0  0
   10.3550   10.1682    0.0000 C   0  0
   11.7936   10.5927    0.0000 F   0  0
   10.7069   11.6263    0.0000 F   0  0
    9.2683   11.2022    0.0000 F   0  0
    6.4176    4.9424    0.0000 N   0  0
    4.9781    4.5176    0.0000 C   0  0
    4.6234    3.0602    0.0000 N   0  0
    3.1884    2.6409    0.0000 C   0  0
    2.0990    3.6745    0.0000 N   0  0
    2.4537    5.1320    0.0000 C   0  0
    3.8933    5.5535    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  1
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
  9 11  1  0
  9 12  1  0
  3 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 16 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 20  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13702

> <plate>
PLATE 001

> <well>
A2

> <supplier_cmpd_name>
Decernotinib

> <ctcr_id>
11520

> <supplier_cmpd_id>
T2636

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

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

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

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

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

> <broad_targets>
{JAK3}

> <broad_moa>
{"JAK inhibitor"}

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

> <pdid>
PD016973

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

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

> <pubchem_cids>
{59422203}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    6.4890   -5.2627    0.0000 C   0  0
    5.1915   -4.5101    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
   -2.5981    1.5000    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 N   0  0
    1.2961    5.2539    0.0000 C   0  0
    2.5925    6.0085    0.0000 C   0  0
    2.5873    7.5085    0.0000 C   0  0
    1.2856    8.2540    0.0000 C   0  0
   -0.0108    7.4995    0.0000 C   0  0
   -0.0056    5.9995    0.0000 C   0  0
    3.8837    8.2630    0.0000 Br  0  0
  1  2  1  0
  2  3  3  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16  9  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 20 24  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13703

> <plate>
PLATE 001

> <well>
A3

> <supplier_cmpd_name>
CL-387785

> <ctcr_id>
11514

> <supplier_cmpd_id>
T2245

> <smiles>
CC#CC(=O)Nc1cc2c(cc1)ncnc2Nc1cc(ccc1)Br

> <pd_targets>
{EGFR,ERBB4,ERBB2,ERBB3,SRC,ABCG2}

> <pathway_gtopdb>
{Enzyme,Transporter,Kinase,"Primary active transporter","Protein Kinase","ATP-binding cassette","TK protein kinase group","ABCG subfamily","Tyrosine protein kinase EGFR family","Tyrosine protein kinas
e Src family"}

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

> <pathway_reactome>
{"Signal Transduction","Neuronal System","Developmental Biology",Metabolism,"Signaling by GPCR","Transmission across Chemical Synapses","Nervous system development","Signaling by Receptor Tyrosine Kin
ases","Abacavir transport and metabolism","GPCR downstream signalling","Neurotransmitter receptors and postsynaptic signal transmission","Axon guidance","Signaling by NTRKs","Abacavir transmembrane tr
ansport","G alpha (q) signalling events","Activation of NMDA receptors and postsynaptic events","Semaphorin interactions","Signaling by NTRK1 (TRKA)","Gastrin-CREB signalling pathway via PKC and MAPK"
,"Post NMDA receptor activation events","Sema4D in semaphorin signaling","Signalling to ERKs","EGFR Transactivation by Gastrin","Long-term potentiation","Sema4D induced cell migration and growth-cone 
collapse","Signalling to RAS","p38MAPK events"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{L38778,cl-387785,cl387785,194423-06-8,194423068,EKI-785,EKI785,"CL-387785 (EKI-785)","CL387785 (EKI785)","CL-387,785","CL387,785",N-(4-((3-bromophenyl)amino)quinazolin-6-yl)but-2-ynamide,N(4((3bromop
henyl)amino)quinazolin6yl)but2ynamide,N-(4-((3-Bromophenyl)amino)-6-quinazolinyl)-2-butynamide,N(4((3Bromophenyl)amino)6quinazolinyl)2butynamide,UNII-B4W27J1Z8B,UNIIB4W27J1Z8B,EKB-785,EKB785,"CL-38778
5(EKI785; WAY-EKI 785)","CL387785(EKI785; WAYEKI 785)",N-(4-(3-b,N(4(3b,T2245,CL-387785}

> <pdid>
PD012958

> <targets>
{EGFR}

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

> <pubchem_cids>
{2776}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    5.2186    3.6345    0.0000 C   0  0
    6.1033    2.4232    0.0000 C   0  0
    7.5946    2.5841    0.0000 C   0  0
    6.7098    3.7951    0.0000 C   0  0
    5.4982    1.0526    0.0000 N   0  0
    4.0320    0.7358    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2519   -1.3615    0.0000 C   0  0
    5.7201   -2.7865    0.0000 C   0  0
    4.7201   -3.9046    0.0000 N   0  0
    7.1884   -3.0935    0.0000 N   0  0
    8.1884   -1.9755    0.0000 C   0  0
    7.7201   -0.5504    0.0000 N   0  0
    6.2519   -0.2434    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
 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
  7 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  5  1  0
 25 19  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13704

> <plate>
PLATE 001

> <well>
A4

> <supplier_cmpd_name>
1 nM-PP1

> <ctcr_id>
3497

> <supplier_cmpd_id>
T2153

> <smiles>
CC(C)(C)n1nc(Cc2cccc3ccccc23)c4c(N)ncnc14

> <pd_targets>
{CDK2,PRKACA,SRC,RIPK2,PRKD1,MAPK8,LCK,ABL1,CDPK1,FYN,CSK,CAMK2A}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","AGC protein kinase group","TK protein kinase group","TKL protein kinase group","CAMK protein kinase group","CMGC protein kinase CDK family"
,"AGC protein kinase PKA family","Tyrosine protein kinase Src family","TKL protein kinase RIPK family","CAMK protein kinase PKD family","CMGC protein kinase MAPK family","Tyrosine protein kinase Abl f
amily","Tyrosine protein kinase Csk family","CAMK protein kinase CAMK2 family","CMGC protein kinase CDC2 subfamily","CMGC protein kinase JNK subfamily","Tyrosine protein kinase SrcA"}

> <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","CAMK: Calcium/calmodulin-de
pendent protein kinases","Cyclin-dependent kinase (CDK) family","Protein kinase A (PKA) family","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","Protein kinase D (PKD) family","Mitogen-activated pro
tein kinases (MAP kinases)","CAMK2 family","CDK1 subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor interacting protein kinase (RIPK) family","JNK subfamily","Src family","Abl family","Csk f
amily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","Signal Transduction","Immune System",Metabolism,Disease,"Neuronal System","RNA Polymerase II Transcription",Mitotic,"Signaling by Receptor Tyrosine Kin
ases","Innate Immune System","Metabolism of lipids","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","Transmission across Chemical Synapses","Gen
eric Transcription Pathway","Mitotic G2-G2/M phases","Signaling by NTRKs","Toll-like Receptor Cascades","Sphingolipid metabolism","HIV Infection","Leishmania infection","Oncogenic MAPK signaling","Neu
rotransmitter receptors and postsynaptic signal transmission","Transcriptional Regulation by TP53","G2/M Transition","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","Sphingolipid de 
novo biosynthesis","Host Interactions of HIV factors","Parasite infection","Signaling by RAS mutants","Activation of NMDA receptors and postsynaptic events","Regulation of TP53 Activity","Centrosome m
aturation","Signalling to ERKs","MyD88 cascade initiated on plasma membrane","The role of Nef in HIV-1 replication and disease pathogenesis","Leishmania phagocytosis","Signaling downstream of RAS muta
nts","Post NMDA receptor activation events","Regulation of TP53 Expression and Degradation","Loss of proteins required for interphase microtubule organization from the centrosome","Signalling to RAS",
"MAP kinase activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated phagocytosis","Nef and signal transduction","CREB1 phosphoryla
tion through NMDA receptor-mediated activation of RAS signaling","Regulation of TP53 Degradation","Loss of Nlp from mitotic centrosomes","p38MAPK events","activated TAK1 mediates p38 MAPK activation",
"MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","Ras activation upon Ca2+ influx through NMDA receptor","Activation of the AP-1 family of transcription factor
s"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NMPP,1-NM-PP1,1NMPP1,221244-14-0,221244140,"PP1 Analog II, 1NM-PP1","PP1 Analog II, 1NMPP1","1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine","1tertbutyl3(naphthalen1ylmeth
yl)1Hpyrazolo(3,4d)pyrimidin4amine","PP1 ANALOG II",NM-PP1,NMPP1,"Mutant Kinases Inhibitor II",1NM-PP1,"1 NM-PP1","1 NMPP1","1NM-PP1(PP1 Analog II)","1NMPP1(PP1 Analog II)",4-Amino-1-tert-butyl-3-(1,4
Amino1tertbutyl3(1,T2153,"EMD 529581","1 nM-PP1",529581}

> <pdid>
PD012664

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5154691}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.1271   -4.3729    0.0000 C   0  0
   -6.5954   -4.6799    0.0000 C   0  0
   -7.5954   -3.5619    0.0000 C   0  0
   -7.1272   -2.1369    0.0000 C   0  0
   -5.6590   -1.8298    0.0000 C   0  0
   -9.0636   -3.8690    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248    1.2135    0.0000 N   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
  9 18  1  0
 18 19  2  0
 18 20  1  0
 20  6  1  0
  4 21  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13705

> <plate>
PLATE 001

> <well>
A5

> <supplier_cmpd_name>
RPI-1

> <ctcr_id>
11398

> <supplier_cmpd_id>
T2282

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD039786

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

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

> <pubchem_cids>
{1749978}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
   15.6025    1.5193    0.0000 C   0  0
   14.3024    0.7712    0.0000 O   0  0
   14.2993   -0.7296    0.0000 C   0  0
   15.5984   -1.4796    0.0000 C   0  0
   15.5984   -2.9796    0.0000 C   0  0
   14.2994   -3.7296    0.0000 C   0  0
   13.0004   -2.9797    0.0000 C   0  0
   13.0002   -1.4796    0.0000 C   0  0
   11.6990   -0.7319    0.0000 O   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4134   -4.4924    0.0000 C   0  0
   -1.5318   -5.7059    0.0000 C   0  0
   -0.0400   -5.5491    0.0000 C   0  0
    0.5701   -4.1788    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 29 30  1  0
 30 18  1  0
 30 22  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13706

> <plate>
PLATE 001

> <well>
A6

> <supplier_cmpd_name>
Carvedilol

> <ctcr_id>
1656

> <supplier_cmpd_id>
T0447

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

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

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

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

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

> <broad_targets>
{ADRB1,ADRB2,ADRB3}

> <broad_moa>
{"adrenergic receptor antagonist"}

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

> <pdid>
PD001210

> <targets>
{Adrenergic Receptor,Autophagy}

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

> <pubchem_cids>
{2585}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 38 39  0  0  0  0            999 V2000
   -6.4717  -14.5676    0.0000 C   0  0
   -6.0099  -13.1405    0.0000 C   0  0
   -4.5425  -12.8257    0.0000 N   0  0
   -3.5342  -13.9374    0.0000 C   0  0
   -2.0679  -13.6212    0.0000 C   0  0
   -4.0804  -11.3978    0.0000 C   0  0
   -2.6130  -11.0830    0.0000 C   0  0
   -2.1509   -9.6551    0.0000 N   0  0
   -0.6835   -9.3403    0.0000 C   0  0
    0.3219  -10.4535    0.0000 O   0  0
   -0.2222   -7.9149    0.0000 C   0  0
    1.2028   -7.4466    0.0000 C   0  0
    2.4192   -8.3243    0.0000 C   0  0
    1.1979   -5.9466    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 O   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.1079   -6.7042    0.0000 C   0  0
   -2.6079   -6.7003    0.0000 C   0  0
    8.9536   -4.6590    0.0000 O   0  0
    8.9536   -6.1590    0.0000 C   0  0
    7.6536   -6.9090    0.0000 C   0  0
    6.3536   -6.1590    0.0000 C   0  0
    6.3536   -4.6590    0.0000 O   0  0
    5.0543   -6.9086    0.0000 O   0  0
   10.2536   -6.9090    0.0000 C   0  0
   10.2536   -8.4090    0.0000 O   0  0
   11.5529   -6.1594    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 17  1  0
 27 21  1  0
 15 28  2  0
 28 11  1  0
 28 29  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 31 36  1  0
 36 37  1  0
 36 38  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13707

> <plate>
PLATE 001

> <well>
A7

> <supplier_cmpd_name>
Sunitinib Malate

> <ctcr_id>
5297

> <supplier_cmpd_id>
T0374

> <smiles>
CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c1C.OC(CC(O)=O)C(O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HMS3244A19,HMS3244A20,HMS3244B19,HMS3295O05,HMS3654M09,BCP01768,"341031-54-7 (malate)","341031547 (malate)",ANW-43713,ANW43713,AK544273,DB-011547,DB011547,"SU 11248 Malate;SU11248 Malate;SU-11248 Mal
ate","SU 11248 Malate;SU11248 Malate;SU11248 Malate",S1042,"Sunitinib Malate"}

> <pdid>

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

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{53394000}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    7.7996   -1.4883    0.0000 C   0  0
    6.4990   -0.7409    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -6.4842    5.2598    0.0000 C   0  0
   -6.4790    6.7598    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 O   0  0
   -2.6109   -7.4988    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 18 20  1  0
 20 21  3  0
 12 22  2  0
 22  8  1  0
 22 23  1  0
 23 24  2  0
 24  6  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13708

> <plate>
PLATE 001

> <well>
A8

> <supplier_cmpd_name>
Erlotinib

> <ctcr_id>
2421

> <supplier_cmpd_id>
T0373

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

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

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

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

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

> <broad_targets>
{EGFR,NR1I2}

> <broad_moa>
{"EGFR inhibitor"}

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

> <pdid>
PD003356

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

> <classes>
{}

> <pubchem_cids>
{176870}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 26 30  0  0  0  0            999 V2000
   10.0036    0.3134    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  3
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    3.8971    0.7500    0.0000 C   0  0
    5.1962    1.5000    0.0000 C   0  0
    5.1961    3.0000    0.0000 C   0  0
    6.6219    3.4636    0.0000 O   0  0
    7.5036    2.2501    0.0000 C   0  0
    6.6219    1.0365    0.0000 O   0  0
    3.8971    3.7500    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.9095   -2.9665    0.0000 O   0  0
   -4.4013   -3.1233    0.0000 C   0  0
   -5.0114   -1.7530    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  7  1  0
  8 12  1  0
 12 13  2  0
 13  5  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16  4  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
 21 25  1  0
 25 17  1  0
 25 26  2  0
 26  3  1  0
M  CHG  2   1  -1   3   1
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13709

> <plate>
PLATE 001

> <well>
A9

> <supplier_cmpd_name>
Sanguinarine chloride

> <ctcr_id>
10950

> <supplier_cmpd_id>
T0129

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

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

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

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

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

> <broad_targets>
{CASP3}

> <broad_moa>
{"apoptosis stimulant"}

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

> <pdid>
PD014367

> <targets>
{Egr-1,VEGFR}

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

> <pubchem_cids>
{68635}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 36 39  0  0  0  0            999 V2000
    3.8794    3.7535    0.0000 C   0  0
    5.1821    3.0099    0.0000 O   0  0
    5.1903    1.5091    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8994   -3.7478    0.0000 O   0  0
   -5.1981   -2.9955    0.0000 C   0  0
   -6.4993   -3.7433    0.0000 C   0  0
   -7.7980   -2.9910    0.0000 C   0  0
   -9.0993   -3.7387    0.0000 N   0  0
  -10.3984   -2.9888    0.0000 C   0  0
  -11.6975   -3.7388    0.0000 C   0  0
  -11.6975   -5.2388    0.0000 N   0  0
  -12.9965   -5.9887    0.0000 C   0  0
  -10.3985   -5.9888    0.0000 C   0  0
   -9.0994   -5.2388    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 O   0  0
    0.0042   -5.9990    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5988    1.5004    0.0000 C   0  0
    3.8978    2.2504    0.0000 N   0  0
    5.2007   -1.4909    0.0000 C   0  0
    5.2059   -2.9909    0.0000 Cl  0  0
    6.4972   -0.7364    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    7.7884    1.5180    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 18  1  0
 13 25  2  0
 25 26  1  0
 26 27  1  0
 25 28  1  0
 28 29  2  0
 29  7  1  0
 29 11  1  0
  8 30  1  0
 30 31  3  0
  5 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  2  0
 35  3  1  0
 35 36  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13710

> <plate>
PLATE 001

> <well>
A10

> <supplier_cmpd_name>
Bosutinib

> <ctcr_id>
570

> <supplier_cmpd_id>
T0152

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

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

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

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

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

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

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

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

> <pdid>
PD004099

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

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

> <pubchem_cids>
{5328940}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
   15.6025    1.5193    0.0000 C   0  0
   14.3024    0.7712    0.0000 O   0  0
   14.2993   -0.7296    0.0000 C   0  0
   15.5984   -1.4796    0.0000 C   0  0
   15.5984   -2.9796    0.0000 C   0  0
   14.2994   -3.7296    0.0000 C   0  0
   13.0004   -2.9797    0.0000 C   0  0
   13.0002   -1.4796    0.0000 C   0  0
   11.6990   -0.7319    0.0000 O   0  0
   10.4003   -1.4841    0.0000 C   0  0
    9.0990   -0.7364    0.0000 C   0  0
    7.8003   -1.4887    0.0000 N   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2029   -2.9932    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4134   -4.4924    0.0000 C   0  0
   -1.5318   -5.7059    0.0000 C   0  0
   -0.0400   -5.5491    0.0000 C   0  0
    0.5701   -4.1788    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 29 30  1  0
 30 18  1  0
 30 22  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13711

> <plate>
PLATE 001

> <well>
A11

> <supplier_cmpd_name>
Carvedilol phosphate

> <ctcr_id>
1656

> <supplier_cmpd_id>
T0342

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

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

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

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

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

> <broad_targets>
{ADRB1,ADRB2,ADRB3}

> <broad_moa>
{"adrenergic receptor antagonist"}

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

> <pdid>
PD001210

> <targets>
{Adrenergic Receptor,Autophagy}

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

> <pubchem_cids>
{2585}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 O   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0897    3.7657    0.0000 N   0  0
  -10.3910    3.0180    0.0000 C   0  0
  -10.3936    1.5180    0.0000 O   0  0
  -11.6897    3.7702    0.0000 N   0  0
  -12.9910    3.0224    0.0000 C   0  0
  -14.4118    3.0680    0.0000 C   0  0
  -13.6617    1.7690    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Cl  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 C   0  0
    1.2947   -3.7531    0.0000 N   0  0
   -1.3032   -3.7490    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 19  1  0
 14 22  1  0
 22 23  1  0
 22 24  2  0
 24 11  1  0
  9 25  2  0
 25  5  1  0
 25 26  1  0
 26 27  2  0
 27  3  1  0
 27 28  1  0
 28 29  1  0
 28 30  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13712

> <plate>
PLATE 001

> <well>
B2

> <supplier_cmpd_name>
Lenvatinib

> <ctcr_id>
5913

> <supplier_cmpd_id>
T0520

> <smiles>
COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O

> <pd_targets>
{KDR,FLT1,FLT4,NCOA4,RET,CA5A,KIF5B,CCDC6,FGFR1,FGFR2,FGFR3,FGFR4,PDGFRA,KIT}

> <pathway_gtopdb>
{Enzyme,Kinase,Lyase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase FGFR family","Tyrosine protein kina
se PDGFR family"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Carbonic anhydrases","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type IV RTKs: VEGF (vascular endothelial growth factor) rece
ptor family","Type XIV RTKs: RET","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Developmental Biology",Disease,"Signaling by Receptor Tyrosine Kinases","Reversible hydration of carbon dioxide","Nervous system development","Diseases of signal tra
nsduction by growth factor receptors and second messengers","Signaling by VEGF","Axon guidance","Signaling by FGFR in disease","Signaling by FGFR","Signaling by PDGFR in disease","Signaling by KIT in 
disease","VEGFA-VEGFR2 Pathway","VEGF ligand-receptor interactions","RET signaling","Signaling by FGFR1 in disease","Signaling by FGFR2 in disease","Signaling by FGFR3 in disease","Signaling by FGFR4"
,"Drug resistance of PDGFR mutants","Drug resistance of KIT mutants","VEGFR2 mediated cell proliferation","VEGF binds to VEGFR leading to receptor dimerization","FGFR1 mutant receptor activation","FGF
R2 mutant receptor activation","Signaling by FGFR3 point mutants in cancer","Downstream signaling of activated FGFR4","Imatinib-resistant PDGFR mutants","Dasatinib-resistant KIT mutants","Signaling by
 activated point mutants of FGFR1","Activated point mutants of FGFR2","FGFR3 mutant receptor activation","FRS-mediated FGFR4 signaling","Signaling by activated point mutants of FGFR3"}

> <broad_targets>
{FLT4,KDR}

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

> <synonyms>
{Lenvatinib,417716-92-8,417716928,E7080,"Lenvatinib (E7080)",Lenvima,"E7080 (Lenvatinib)","E 7080",E-7080,ER-203492-00,ER20349200,UNII-EE083865G2,UNIIEE083865G2,"Lenvatinib free base",CHEMBL1289601,CH
EBI:85994,"417716-92-8 (free base)","417716928 (free base)",EE083865G2,"Lenvatinib (USAN:INN)",Kisplyx,LEV,Len,T0520,755980,S1164,lenvatinib}

> <pdid>
PD003669

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

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

> <pubchem_cids>
{9823820}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 38 39  0  0  1  0            999 V2000
   -6.4717  -14.5676    0.0000 C   0  0
   -6.0099  -13.1405    0.0000 C   0  0
   -4.5425  -12.8257    0.0000 N   0  0
   -3.5342  -13.9374    0.0000 C   0  0
   -2.0679  -13.6212    0.0000 C   0  0
   -4.0804  -11.3978    0.0000 C   0  0
   -2.6130  -11.0830    0.0000 C   0  0
   -2.1509   -9.6551    0.0000 N   0  0
   -0.6835   -9.3403    0.0000 C   0  0
    0.3219  -10.4535    0.0000 O   0  0
   -0.2222   -7.9149    0.0000 C   0  0
    1.2028   -7.4466    0.0000 C   0  0
    2.4192   -8.3243    0.0000 C   0  0
    1.1979   -5.9466    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 O   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.1079   -6.7042    0.0000 C   0  0
   -2.6079   -6.7003    0.0000 C   0  0
    8.9536   -4.6590    0.0000 O   0  0
    8.9536   -6.1590    0.0000 C   0  0  1  0  0  0
    7.6536   -6.9090    0.0000 C   0  0
    6.3536   -6.1590    0.0000 C   0  0
    6.3536   -4.6590    0.0000 O   0  0
    5.0543   -6.9086    0.0000 O   0  0
   10.2536   -6.9090    0.0000 C   0  0
   10.2536   -8.4090    0.0000 O   0  0
   11.5529   -6.1594    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 17  1  0
 27 21  1  0
 15 28  2  0
 28 11  1  0
 28 29  1  0
 31 30  1  6
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  2  0
 31 36  1  0
 36 37  1  0
 36 38  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13713

> <plate>
PLATE 001

> <well>
B3

> <supplier_cmpd_name>
Sunitinib

> <ctcr_id>
7456

> <supplier_cmpd_id>
T0374L

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>

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

> <classes>
{}

> <pubchem_cids>
{6456015}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 18 17  0  0  0  0            999 V2000
    7.6894   -3.0057    0.0000 Cl  0  0
    5.1873   -7.5109    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    2.5886   -6.0033    0.0000 C   0  0
    1.2919   -5.2492    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
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 11  1  0
 17 18  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13714

> <plate>
PLATE 001

> <well>
B4

> <supplier_cmpd_name>
Lidocaine Hydrochloride hydrate

> <ctcr_id>
2126

> <supplier_cmpd_id>
T1144L

> <smiles>
Cl.CCN(CC)CC(=O)Nc1c(C)cccc1C

> <pd_targets>
{SCN2A,AMPC,SCN1A,SCN3A,MAPK1,SCN9A,SCN5A,MAPT,LMNA,CHRM1,SCN4A,SCN10A,ALDH1A1,CYP3A4,GAA,BLM,SCN11A,SCN7A,SCN8A,EGFR}

> <pathway_gtopdb>
{"Ion channel",Enzyme,"Other cytosolic protein","Other nuclear protein","Membrane receptor","Voltage-gated ion channel",Hydrolase,Kinase,"Family A G protein-coupled receptor",Oxidoreductase,"Cytochrom
e P450","Voltage-gated sodium channel","Protein Kinase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","CMGC protein kinase group","Monoamine receptor","Cytochrome P450 family 3A
","TK protein kinase group","CMGC protein kinase MAPK family","Acetylcholine receptor","Cytochrome P450 3A4","Tyrosine protein kinase EGFR family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{"Ion channels",Enzymes,Receptors,"Voltage-gated ion channels","Kinases (EC 2.7.x.x)","G protein-coupled receptors","Cytochrome P450","3.2.1.- Glycosidases","Catalytic receptors","Voltage-gated sodium
 channels","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Acetylcholine receptors (muscarinic)","CYP3 family","Receptor kinases","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinas
e","ERK subfamily","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology","Immune System","Neuronal System","Cell Cycle","Signal Transduction",Metabolism,Disease,"DNA Repair","Nervous system development","Innate Immune System","Transmission across C
hemical Synapses",Mitotic,"Signaling by GPCR","Biological oxidations","Metabolism of lipids","Diseases of metabolism","DNA Double-Strand Break Repair","Axon guidance","Toll-like Receptor Cascades","Ne
urotransmitter receptors and postsynaptic signal transmission","M Phase","GPCR ligand binding","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","D
iseases of carbohydrate metabolism","Homology Directed Repair","GPCR downstream signalling","L1CAM interactions","Toll Like Receptor 5 (TLR5) Cascade","Activation of NMDA receptors and postsynaptic ev
ents","Mitotic Metaphase and Anaphase","Class A/1 (Rhodopsin-like receptors)","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Glycogen storage diseases","HDR through Homologous Recombination (
HRR) or Single Strand Annealing (SSA)","G alpha (q) signalling events","Interaction between L1 and Ankyrins","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","Mitoti
c Anaphase","Amine ligand-binding receptors","Biosynthesis of maresins","Glycogen storage disease type II (GAA)","HDR through Homologous Recombination (HRR)","Gastrin-CREB signalling pathway via PKC a
nd MAPK","MAP kinase activation","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","Homologous DNA P
airing and Strand Exchange","EGFR Transactivation by Gastrin","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous 
DNA pairing and strand exchange","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{EGFR,SCN10A,SCN5A,SCN9A}

> <broad_moa>
{"histamine receptor agonist"}

> <synonyms>
{Lidocaton,LIDOPEN,"Lidocaine hydrochloride anhydrous",CHEBI:50512,"2-Diethylamino-2',6'-acetoxylidide hydrochloride","2Diethylamino2',6'acetoxylidide hydrochloride","alpha-Diethylamino-2,6-acetoxylid
ine hydrochloride","alphaDiethylamino2,6acetoxylidine hydrochloride","Alphacaine N","Alphacaine SP",omega-Diethylamino-2,omegaDiethylamino2,6-dime,6dime,T1144L,T1144,1500689,Prestw-50,"Lidocaine Hydro
chloride hydrate","Lidocaine hydrochloride","LIDOCAINE HYDROCHLORIDE"}

> <pdid>
PD003120

> <targets>
{}

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

> <pubchem_cids>
{49852294,6314,657223}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.4470    5.2297    0.0000 S   0  0
   -2.9153    5.5365    0.0000 C   0  0
   -3.6607    4.2349    0.0000 C   0  0
   -2.6532    3.1236    0.0000 N   0  0
   -3.5322    6.9018    0.0000 C   0  0
   -2.6569    8.1199    0.0000 O   0  0
   -5.0256    7.0513    0.0000 N   0  0
   -5.6437    8.4190    0.0000 C   0  0
   -7.1360    8.5706    0.0000 C   0  0
   -8.0134    7.3540    0.0000 C   0  0
   -7.7509    9.9388    0.0000 C   0  0
   -6.8735   11.1554    0.0000 C   0  0
   -5.3812   11.0039    0.0000 C   0  0
   -4.7663    9.6357    0.0000 C   0  0
   -3.2739    9.4842    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 N   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 N   0  0
   -6.4915   -3.7597    0.0000 C   0  0
   -6.4870   -5.2605    0.0000 C   0  0
   -7.7833   -6.0153    0.0000 O   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  2  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 14  1  0
 20 21  1  0
  4 22  2  0
 22 23  1  0
 23 24  2  0
 24  2  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 28 32  1  0
 32 33  1  0
 33 25  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13715

> <plate>
PLATE 001

> <well>
B5

> <supplier_cmpd_name>
Dasatinib monohydrate

> <ctcr_id>
6468

> <supplier_cmpd_id>
T1448L

> <smiles>
Cc1nc(Nc2sc(cn2)C(=O)Nc3c(C)cccc3Cl)cc(n1)N4CCN(CCO)CC4

> <pd_targets>
{EPHB6,ERBB4,LCK,SRC,ABL1,BCR,BTK,EPHA2,CSK,CSNK1E,EPHB1,EPHB4,TUBA1A,RAF1,RET,RIPK2,PDGFRA,MAP4K3,BLK,MAP4K4,BMX,MAP4K2,TESK1,EPHA1,EGFR,ERBB2,FGFR1,KIT,TYK2,BMPR1B,PLK4,LIMK1,LIMK2,MAP2K1,SIK2,ACVR2
A,GAK,DDR2,IRAK4,ACVRL1,COQ8A,TAOK2,TAOK3,CDPK1,DYRK3,MAPK14,MAP4K1,PDGFRB,SLK,HTR2A,BRAF,FGR,FGFR2,NLK,FLT3,KCNH2,NORA,EPHB3,WEE2,JAK2,STK4,STK10,DDR1,STK36,EPHA8,FLT1,SBK1,TNIK,TXK,EPHB2,MINK1,MAPK1
1,ACVR1B,ACVR1,MAP4K5,TEC,DMPK,REP,KDR,FRK,WEE1,MAP3K20,TGFBR1,PTK6,SIK3,YES1,MAP3K19,MAP3K7,NEK11,MAPK12,MAPK13,HCK,JAK3,CDC42BPA,AURKA,FGFR3,MAP3K3,CYP3A4,STK26,ABL2,SIK1,SRMS,SYK,EIF2AK4,MAP3K13,PI
K3CA,PKMYT1,CSF1R,EPHA4,STK25,LYN,MAP2K2,CDC42BPB,TGFBR2,CDC42BPG,ACVR2B,EPHA6,MAP2K5,TNK2,PIK3CD,MTOR,MAP3K4,ULK3,ERBB3,MYLK2,FYN,TNNI3K,TAOK1,EPHA5,NEK2,AXL,VRK2,HTT,AURKB,EPHA3,PKN2,FES,STK35,MAP3K
10,BMPR1A,MAP3K2,ITK,ABCB11,MYT1,CACNA1C,CACNA1D,CACNA1F,CACNA1S,ABCC4,SCN5A,STAT5B}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Structural protein","Membrane receptor","Ion channel",Transporter,"Transcription factor",Kinase,"Family A G protein-coupled receptor","Voltage-gated ion channel","Cytoc
hrome P450",Transferase,"Primary active transporter","Protein Kinase","Small molecule receptor (family A GPCR)","Potassium channels","Cytochrome P450 family 3","ATP-binding cassette","Voltage-gated ca
lcium channel","Voltage-gated sodium channel","TK protein kinase group","Atypical protein kinase group","CK1 protein kinase group","TKL protein kinase group","STE protein kinase group","Other protein 
kinase group","CAMK protein kinase group","CMGC protein kinase group","Monoamine receptor","Voltage-gated potassium channel","AGC protein kinase group","Cytochrome P450 family 3A","ABCB subfamily","AB
CC subfamily","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Atypical protein kinase BCR family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Tec family",
"Tyrosine protein kinase Eph family","Tyrosine protein kinase Csk family","CK1 protein kinase CK1 family","TKL protein kinase RAF family","Tyrosine protein kinase Ret family","TKL protein kinase RIPK 
family","Tyrosine protein kinase PDGFR family","STE protein kinase STE20 family","TKL protein kinase LISK family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase JakA family","TKL prote
in kinase STKR family","Other protein kinase PLK family","STE protein kinase STE7 family","CAMK protein kinase CAMK1 family","Other protein kinase NAK family","Tyrosine protein kinase DDR family","TKL
 protein kinase IRAK family","CMGC protein kinase DYRK family","CMGC protein kinase MAPK family","Serotonin receptor","Other protein kinase WEE family","Other protein kinase ULK family","Tyrosine prot
ein kinase VEGFR family","Other protein kinase NKF1 family","AGC protein kinase DMPK family","TKL protein kinase MLK family","STE protein kinase STE11 family","Other protein kinase NEK family","Other 
protein kinase AUR family","Cytochrome P450 3A4","Tyrosine protein kinase Syk family","Other protein kinase PEK family","Tyrosine protein kinase Ack family","Atypical protein kinase PIKK family","CAMK
 protein kinase MLCK family","Tyrosine protein kinase Axl family","AGC protein kinase PKN family","Tyrosine protein kinase Fer family","Other protein kinase NKF4 family","STE protein kinase KHS subfam
ily","STE protein kinase MSN subfamily","TKL protein kinase TESK subfamily","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase LIMK subfamily","CAMK protein kinase QIK subfamily","TKL prot
ein kinase STKR Type 2 subfamily","STE protein kinase TAO subfamily","CMGC protein kinase Dyrk2 subfamily","CMGC protein kinase p38 subfamily","STE protein kinase SLK subfamily","CMGC protein kinase n
mo subfamily","Other protein kinase WEE1","STE protein kinase MST subfamily","TKL protein kinase STKR1","AGC protein kinase GEK subfamily","TKL protein kinase MLK subfamily","TKL protein kinase TAK1 s
ubfamily","Other protein kinase Nek11","STE protein kinase MEKK2","STE protein kinase YSK subfamily","Tyrosine protein kinase Srm","Other protein kinase GCN2 subfamily","TKL protein kinase LZK subfami
ly","Atypical protein kinase FRAP subfamily","Tyrosine protein kinase SrcA","TKL protein kinase HH498 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Ion channels",Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)",Tubulins,"G protein-coupled receptors","Voltage-gated ion channels","Anti-infective 
targets","Cytochrome P450","ATP-binding cassette transporter family","Receptor kinases","CK1: Casein kinase 1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmo
dulin-dependent protein kinases",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","5-Hydroxytryptamine receptors","Potassium channels","AGC: Containing PKA",PKG,"PKC families","Viral protein t
argets","CYP3 family","Lipid modifying kinases","ABCB subfamily","ABCC subfamily","Voltage-gated sodium channels","TK: Tyrosine kinase","Casein kinase 1 (CK1) family","TKL: Tyrosine kinase-like","STE2
0 family","Other protein kinases","STE7 family","CAMK-like (CAMKL) family","ABC1 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Mitogen-activated protein kinas
es (MAP kinases)","Voltage-gated potassium channels","DMPK family","Coronavirus (CoV) proteins","STE11 family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-
related kinases (PIKK) family","Myosin Light Chain Kinase (MLCK) family","Vaccina related kinase (VRK) family","Protein kinase N (PKN) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine
 kinases (nRTKs)","RAF family","Receptor interacting protein kinase (RIPK) family","KHS subfamily","MSN subfamily","LIM domain kinase (LISK) family","Receptor serine/threonine kinase (RSTK) family","P
olo-like kinase (PLK) family","QIK subfamily","Numb-associated kinase (NAK) family","Interleukin-1 receptor-associated kinase (IRAK) family","ABC1-B subfamily","TAO subfamily","Dyrk2 subfamily","p38 s
ubfamily","SLK subfamily","nmo subfamily","WEE family","MST subfamily","Unc-51-like kinase (ULK) family","NKF1 family","GEK subfamily","Mixed Lineage Kinase (MLK) family","STE20 subfamily","NIMA (neve
r in mitosis gene a)- related kinase (NEK) family","Aurora kinase (Aur) family","YSK subfamily","PEK family","FRAP subfamily","NKF4 family","Type XIII RTKs: Ephrin receptor family","Type I RTKs: ErbB 
(epidermal growth factor) receptor family","Src family","Abl family","Tec family","Csk family","Type XIV RTKs: RET","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","TESK subfamily","Type V RTKs
: FGF (fibroblast growth factor) receptor family","Janus kinase (JakA) family","Type I receptor serine/threonine kinases","LIMK subfamily","Type II receptor serine/threonine kinases","Type XVI RTKs: D
DR (collagen receptor) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","MLK subfamily","TAK1 subfamily","Syk family","GCN2 subfamily","LZK subfamily","Ack family","HH
498 subfamily","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Fer family"}

> <pathway_reactome>
{"Developmental Biology","Neuronal System",Disease,"Signal Transduction","Cell Cycle","Immune System","Gene expression (Transcription)","Cellular responses to external stimuli",Metabolism,"Cell-Cell c
ommunication","Vesicle-mediated transport","Extracellular matrix organization","Muscle contraction","Programmed Cell Death","Circadian Clock",Hemostasis,"Nervous system development","Transmission acro
ss Chemical Synapses","Infectious disease","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"MAPK family signaling ca
scades","Innate Immune System","RNA Polymerase II Transcription","Cellular responses to stress","Metabolism of lipids","Cell junction organization","Signaling by GPCR","Cytokine Signaling in Immune sy
stem","Signaling by TGFB family members","Signaling by NODAL","Membrane Trafficking","Non-integrin membrane-ECM interactions","Intracellular signaling by second messengers","Signaling by WNT","Cardiac
 conduction","Signaling by Hippo","Cell Cycle Checkpoints",Apoptosis,"Signaling by Non-Receptor Tyrosine Kinases","Signaling by Hedgehog","Signaling by Rho GTPases","Adaptive Immune System","Platelet 
activation","signaling and aggregation","Axon guidance","Neurotransmitter receptors and postsynaptic signal transmission","HIV Infection","Signaling by NTRKs","Leishmania infection","Oncogenic MAPK si
gnaling","Mitotic G2-G2/M phases","MAPK1/MAPK3 signaling","Toll-like Receptor Cascades","Signaling by PDGFR in disease","Generic Transcription Pathway","Cellular Senescence","Phospholipid metabolism",
"Cell-extracellular matrix interactions","GPCR downstream signalling","Signaling by FGFR in disease","Signaling by KIT in disease","Interferon Signaling","Signaling by BMP","Regulation of signaling by
 NODAL","trans-Golgi Network Vesicle Budding","PIP3 activates AKT signaling","GPCR ligand binding","Beta-catenin independent WNT signaling","Signaling by Insulin receptor","Phase 3 - rapid repolarisat
ion","Mitotic G1 phase and G1/S transition","Neutrophil degranulation","Signaling by VEGF","Fc epsilon receptor (FCERI) signaling","Signaling by Interleukins","Ion homeostasis","SARS-CoV Infections","
G2/M Checkpoints","Signaling by TGF-beta Receptor Complex in Cancer","Biosynthesis of specialized proresolving mediators (SPMs)","Apoptotic execution phase","Signaling by PTK6","Response of EIF2AK4 (G
CN2) to amino acid deficiency","Hedgehog 'on' state","M Phase","Regulation of mitotic cell cycle","RHO GTPase Effectors","TCR signaling","Metabolism of steroids","Response to elevated platelet cytosol
ic Ca2+","EPH-Ephrin signaling","Activation of NMDA receptors and postsynaptic events","Host Interactions of HIV factors","Signaling by NTRK1 (TRKA)","Parasite infection","Signaling by RAS mutants","G
2/M Transition","RAF/MAP kinase cascade","RET signaling","Toll Like Receptor 5 (TLR5) Cascade","Drug resistance of PDGFR mutants","Transcriptional regulation by RUNX1","Oxidative Stress Induced Senesc
ence","PI Metabolism","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","G alpha (q) signalling events","Semaphorin interactions","Signaling by FGFR1 in disease","Dr
ug resistance of KIT mutants","Interferon alpha/beta signaling","Golgi Associated Vesicle Biogenesis","Toll Like Receptor 2 (TLR2) Cascade","Negative regulation of the PI3K/AKT network","Class A/1 (Rh
odopsin-like receptors)","Leishmania parasite growth and survival","Signaling by FGFR2 in disease","Ca2+ pathway","Insulin receptor signalling cascade","G1 Phase","VEGF ligand-receptor interactions","
FCERI mediated Ca+2 mobilization",Interleukin-3,"Interleukin-5 and GM-CSF signaling","SARS-CoV-1 Infection","VEGFA-VEGFR2 Pathway","PTEN Regulation","G2/M DNA damage checkpoint","Loss of Function of S
MAD2/3 in Cancer","Toll Like Receptor 4 (TLR4) Cascade","Interleukin-2 family signaling","Transcriptional Regulation by TP53","Signaling by FGFR3 in disease","Interleukin-1 family signaling","Biosynth
esis of DHA-derived SPMs","Apoptotic cleavage of cellular proteins","Signaling by ROBO receptors","PTK6 Down-Regulation","Transcriptional Regulation by VENTX","Mitotic Metaphase and Anaphase","APC/C-m
ediated degradation of cell cycle proteins","Transcriptional Regulation by MECP2","RHO GTPases activate PKNs","Generation of second messenger molecules","Bile acid and bile salt metabolism","Platelet 
degranulation","L1CAM interactions","EPHB-mediated forward signaling","Post NMDA receptor activation events","The role of Nef in HIV-1 replication and disease pathogenesis","Signalling to ERKs","Leish
mania phagocytosis","EPHA-mediated growth cone collapse","Signaling downstream of RAS mutants","Centrosome maturation","Negative regulation of MAPK pathway","MyD88 cascade initiated on plasma membrane
","Imatinib-resistant PDGFR mutants","RUNX1 regulates transcription of genes involved in BCR signaling","Synthesis of PIPs at the plasma membrane","Gastrin-CREB signalling pathway via PKC and MAPK","S
ema4D in semaphorin signaling","FGFR1 mutant receptor activation","Dasatinib-resistant KIT mutants","Regulation of IFNA signaling","Toll Like Receptor TLR6:TLR2 Cascade",PI5P,"PP2A and IER3 Regulate P
I3K/AKT Signaling","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","FGFR2 mutant receptor activation","IRS-mediated signalling","Cyclin D associat
ed events in G1","VEGF binds to VEGFR leading to receptor dimerization","SARS-CoV-1 Genome Replication and Transcription","VEGFR2 mediated cell proliferation","Regulation of PTEN stability and activit
y","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","SMAD2/3 Phosphorylation Motif Mutants in Cancer","MyD88-independent TLR4 cascade","Interleukin-15 signaling","Regulation of TP53 Ac
tivity","Signaling by FGFR3 point mutants in cancer","Interleukin-1 signaling","Biosynthesis of maresins","Role of ABL in ROBO-SLIT signaling","Cyclin A/B1/B2 associated events during G2/M transition"
,"Signalling to ERK5","Interleukin receptor SHC signaling","Mitotic Anaphase","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of MECP2 expression and activit
y","CRMPs in Sema3A signaling","Synthesis of bile acids and bile salts","Interaction between L1 and Ankyrins","Long-term potentiation","Nef-mediates down modulation of cell surface receptors by recrui
ting them to clathrin adapters","Signalling to RAS","FCGR3A-mediated phagocytosis","Loss of proteins required for interphase microtubule organization from the centrosome","Negative feedback regulation
 of MAPK pathway","MAP kinase activation","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","Signaling by activated point mutants of FGFR1","Prolonged ERK acti
vation events","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Serotonin receptors","FCGR3A-mediated IL10 synthesis","Activated point mutants of FGFR2","PI3K Cascade","Replication of the SARS
-CoV-1 genome","TRIF(TICAM1)-mediated TLR4 signaling","Nef and signal transduction","Regulation of TP53 Activity through Phosphorylation","FGFR3 mutant receptor activation","Biosynthesis of maresin-li
ke SPMs","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Separation of Sister Chromatids","APC/C:Cdc20 mediated degradation of mitotic proteins","Nuclear
 Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nef Mediated CD4 Down-regulation","p38MAPK events","Loss of Nlp from mitotic centrosomes","activated 
TAK1 mediates p38 MAPK activation","Frs2-mediated activation","MAPK targets/ Nuclear events mediated by MAP kinases","ARMS-mediated activation","TRAF6-mediated induction of TAK1 complex within TLR4 co
mplex","Signaling by activated point mutants of FGFR3","Regulation of TP53 Degradation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Initi
ation of Nuclear Envelope (NE) Reformation","Activation of the AP-1 family of transcription factors","APC-Cdc20 mediated degradation of Nek2A"}

> <broad_targets>
{ABL1,ABL2,BLK,EPHA2,FGR,FRK,FYN,HCK,KIT,LCK,LYN,PDGFRB,SRC,SRMS,STAT5B,YES1}

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

> <synonyms>
{Dasatinib,302962-49-8,302962498,Sprycel,BMS-354825,BMS354825,"BMS 354825","Dasatinib anhydrous","Dasatinib (anhydrous)","Dasatinib (BMS-354825)","Dasatinib (BMS354825)","anh. dasatinib",UNII-X78UG0A0
RN,UNIIX78UG0A0RN,"anhydrous dasatinib","dasatinib (anh.)",CHEMBL1421,X78UG0A0RN,CHEBI:49375,NSC732,T1448,T1448L,732517,S1021,"NSC 732517","Dasatinib monohydrate",dasatinib,DASATINIB}

> <pdid>
PD003446

> <targets>
{Abl/Src,c-Kit,Bcr-Abl,Src-bcr-Abl,SRC,Src,ABL,PDGFR,Apoptosis,Autophagy}

> <classes>
{BCR/ABL/Src inhibitor,Angiogenesis,Apoptosis,Autophagy,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{3062316}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13716

> <plate>
PLATE 001

> <well>
B6

> <supplier_cmpd_name>
Lapatinib ditosylate monohydrate

> <ctcr_id>
2541

> <supplier_cmpd_id>
T0078L

> <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_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0093    6.0025    0.0000 O   0  0
   -2.6071    5.9984    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
  5 11  2  0
 11 12  1  0
 12 13  2  0
 13  3  1  0
 13 14  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13717

> <plate>
PLATE 001

> <well>
B7

> <supplier_cmpd_name>
Ferulic Acid

> <ctcr_id>
3339

> <supplier_cmpd_id>
T2215

> <smiles>
COc1cc(\C=C\C(O)=O)ccc1O

> <pd_targets>
{MTCA1,CA9,CA13,CA3,CA1,MTCA2,CA12,KDM4E,CA14,CA7,CA5B,CA4,CA2,CA6,ALOX15,XDH,CA5A}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator",Lyase,Eraser,Oxidoreductase,"Lysine demethylase","Jumonji domain-containing"}

> <pathway_chembl>
{Enzymes,"Carbonic anhydrases","Chromatin modifying enzymes","Eicosanoid turnover","1.-.-.- Oxidoreductases","1.14.11.- Histone demethylases",Lipoxygenases}

> <pathway_reactome>
{"Cellular responses to external stimuli",Metabolism,"Immune System","Transport of small molecules","Cellular responses to stress","Reversible hydration of carbon dioxide","Cytokine Signaling in Immun
e system","O2/CO2 exchange in erythrocytes","Metabolism of lipids","Metabolism of nucleotides","Cellular response to hypoxia","Signaling by Interleukins","Erythrocytes take up carbon dioxide and relea
se oxygen","Biosynthesis of specialized proresolving mediators (SPMs)","Nucleobase catabolism","Regulation of gene expression by Hypoxia-inducible Factor","Interleukin-12 family signaling","Biosynthes
is of DPA-derived SPMs","Purine catabolism","Interleukin-12 signaling","Biosynthesis of DPAn-3 SPMs","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Biosynthesis 
of DPAn-3-derived protectins and resolvins"}

> <broad_targets>
{CA1,CA12,CA14,CA2,CA4,CA6,CA9}

> <broad_moa>
{antioxidant}

> <synonyms>
{"trans-Ferulic Acid","transFerulic Acid",1135-24-6,1135246,"4-Hydroxy-3-methoxycinnamic acid","4Hydroxy3methoxycinnamic acid",537-98-4,537984,"trans-4-Hydroxy-3-methoxycinnamic acid","trans4Hydroxy3m
ethoxycinnamic acid","3-(4-Hydroxy-3-methoxyphenyl)acrylic acid","3(4Hydroxy3methoxyphenyl)acrylic acid",ferulate,"(E)-Ferulic acid","(E)Ferulic acid","Coniferic acid",3-(4-Hydroxy-3-meth,3(4Hydroxy3m
eth,T2215,1501017,"Ferulic Acid","FERULIC ACID"}

> <pdid>
PD001909

> <targets>
{Endogenous Metabolite,FGFR,Bcl-2 Family,Ferroptosis,²-catenin}

> <classes>
{antineoplastic,choleretic,food preservative,Metabolic Enzyme/Protease,Protein Tyrosine Kinase/RTK,Apoptosis,Stem Cell/Wnt}

> <pubchem_cids>
{445858}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 36 37  0  0  0  0            999 V2000
   15.4198   -7.8739    0.0000 Cl  0  5
   12.9198   -7.8739    0.0000 Cl  0  5
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  3
    0.0031   -3.0008    0.0000 C   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3070   -5.2502    0.0000 C   0  0
    2.6078   -5.9988    0.0000 C   0  0
    2.6109   -7.4996    0.0000 C   0  0
    3.9117   -8.2481    0.0000 C   0  0
    3.9148   -9.7490    0.0000 C   0  0
    5.2157  -10.4975    0.0000 C   0  0
    5.2188  -11.9983    0.0000 C   0  0
    6.5196  -12.7469    0.0000 C   0  0
    6.5227  -14.2477    0.0000 N   0  3
    5.2236  -14.9979    0.0000 C   0  0
    3.9245  -14.2479    0.0000 C   0  0
    5.2237  -16.4979    0.0000 C   0  0
    6.5227  -17.2478    0.0000 C   0  0
    6.5228  -18.7478    0.0000 N   0  0
    7.8217  -16.4978    0.0000 C   0  0
    9.1208  -17.2477    0.0000 C   0  0
   10.4198  -16.4977    0.0000 C   0  0
   10.4198  -14.9977    0.0000 C   0  0
    9.1207  -14.2477    0.0000 C   0  0
    7.8217  -14.9978    0.0000 C   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13  8  1  0
 13 14  2  0
 14  4  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 25  1  0
 36 31  1  0
M  CHG  4   1  -1   2  -1  14   1  25   1
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13718

> <plate>
PLATE 001

> <well>
B8

> <supplier_cmpd_name>
Dequalinium chloride

> <ctcr_id>
744

> <supplier_cmpd_id>
T0979

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

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

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

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

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

> <broad_targets>
{KCNN1,KCNN3}

> <broad_moa>
{"PKC inhibitor"}

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

> <pdid>
PD006879

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{10649}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0875    3.7680    0.0000 F   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Cl  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.9099   -8.2497    0.0000 C   0  0
   -3.9099   -9.7497    0.0000 C   0  0
   -2.6109  -10.4997    0.0000 O   0  0
   -1.3119   -9.7497    0.0000 C   0  0
   -1.3118   -8.2497    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 11  1  0
  9 19  2  0
 19  5  1  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13719

> <plate>
PLATE 001

> <well>
B9

> <supplier_cmpd_name>
Gefitinib

> <ctcr_id>
6466

> <supplier_cmpd_id>
T1181

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

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

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

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

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

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

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

> <pdid>
PD003385

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

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

> <pubchem_cids>
{123631}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 43 46  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -7.8059    2.9863    0.0000 O   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 C   0  0
  -10.3875   -1.5257    0.0000 O   0  0
  -10.3802   -3.0265    0.0000 C   0  0  2  0  0  0
   -9.0760   -3.7676    0.0000 O   0  0
   -9.0656   -5.2676    0.0000 C   0  0  2  0  0  0
   -7.7592   -6.0063    0.0000 C   0  0
   -6.4664   -5.2455    0.0000 O   0  0
  -10.3594   -6.0265    0.0000 C   0  0  1  0  0  0
  -10.3490   -7.5265    0.0000 O   0  0
  -11.6636   -5.2855    0.0000 C   0  0  2  0  0  0
  -12.9574   -6.0445    0.0000 O   0  0
  -11.6740   -3.7856    0.0000 C   0  0  1  0  0  0
  -12.9805   -3.0469    0.0000 O   0  0
  -14.2739   -3.8082    0.0000 C   0  0  2  0  0  0
  -14.2583   -5.3082    0.0000 O   0  0
  -15.5495   -6.0717    0.0000 C   0  0  1  0  0  0
  -15.5339   -7.5716    0.0000 C   0  0
  -16.8563   -5.3352    0.0000 C   0  0  2  0  0  0
  -18.1474   -6.0987    0.0000 O   0  0
  -16.8719   -3.8353    0.0000 C   0  0  1  0  0  0
  -18.1787   -3.0989    0.0000 O   0  0
  -15.5807   -3.0718    0.0000 C   0  0  1  0  0  0
  -15.5964   -1.5719    0.0000 O   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
   -5.1923   -1.5047    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 17 16  1  6
 17 18  1  0
 18 19  1  0
 19 20  1  6
 20 21  1  0
 19 22  1  0
 22 23  1  1
 22 24  1  0
 24 25  1  6
 24 26  1  0
 26 17  1  0
 26 27  1  1
 28 27  1  6
 28 29  1  0
 29 30  1  0
 30 31  1  1
 30 32  1  0
 32 33  1  6
 32 34  1  0
 34 35  1  1
 34 36  1  0
 36 28  1  0
 36 37  1  1
 15 38  1  0
 38 39  2  0
 39 11  1  0
 39 40  1  0
  6 41  1  0
 41 42  2  0
 42  3  1  0
 42 43  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13720

> <plate>
PLATE 001

> <well>
B10

> <supplier_cmpd_name>
Neohesperidin Dihydrochalcone

> <ctcr_id>
7201

> <supplier_cmpd_id>
T2767

> <smiles>
COc1ccc(CCC(=O)c2c(O)cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)cc2O)cc1O

> <pd_targets>
{ALDH1A1}

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

> <pathway_chembl>
{}

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

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{"neohesperidin dihydrochalcone",20702-77-6,20702776,Nhdc,"Neohesperidin dc","Neohesperidin dhc","Neohesperidine dihydrochalcone",Neohesperidine,UNII-3X476D83QV,UNII3X476D83QV,"Neosperidin dihydrochal
cone","neohesperidin dihydrochalone",Neohesperidin-dihydroch,Neohesperidindihydroch,S2331,"Neohesperidin Dihydrochalcone (Nhdc)"}

> <pdid>
PD001601

> <targets>
{Others}

> <classes>
{}

> <pubchem_cids>
{30231}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    6.4870   -5.2597    0.0000 C   0  0
    6.4915   -3.7597    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 12  1  0
 19 20  1  0
 20  9  1  0
 20 21  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13721

> <plate>
PLATE 001

> <well>
B11

> <supplier_cmpd_name>
Biochanin A

> <ctcr_id>
2526

> <supplier_cmpd_id>
T2859

> <smiles>
COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O

> <pd_targets>
{CYP19A1,CYP1B1,CA7,FABZ,CA12,CBR1,HSD17B2,SMN1,RORC,HPGD,KMT2A,MEN1,RECQL,MAPT,HIF1A,ALDH1A1,ALOX12,MAOA,MAOB,MAPK1,CA4,KDM4E,CYP2C19,FFP,NPC1,RELA,HSD17B3,EGFR,LOX1.1,LMNA,HSD17B10,FTL,TP53,CYP3A4,R
AB9A,CYP2D6,DRD5,AKR1B10,ESRRG,ESRRB,ESRRA}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Transcription factor","Other cytosolic protein",Transporter,"Other nuclear protein","Unclassified protein","Membrane receptor","Cytochrome P450",Lyase,Oxidoreductase,Re
ader,"Nuclear receptor",Kinase,Eraser,Transferase,Hydrolase,"Family A G protein-coupled receptor","Cytochrome P450 family 19","Cytochrome P450 family 1","Methyl-lysine/arginine binding protein","Nucle
ar hormone receptor subfamily 1",Bromodomain,"Protein Kinase","Lysine demethylase","Cytochrome P450 family 2","Cytochrome P450 family 3","Small molecule receptor (family A GPCR)","Nuclear hormone rece
ptor subfamily 3","Cytochrome P450 family 19A","Cytochrome P450 family 1B","Tudor domain","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Jumonji domain-containing","Cytoch
rome P450 family 2C","TK protein kinase group","Cytochrome P450 family 3A","Cytochrome P450 family 2D","Monoamine receptor","Nuclear hormone receptor subfamily 3 group B","Cytochrome P450 19A1","Cytoc
hrome P450 1B1","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Cytochrome P450 2C19","Tyrosine protein kinase EGFR family","Cytochrome P450 3A4","Cytochrome
 P450 2D6","Dopamine receptor","Nuclear hormone receptor subfamily 3 group B member 3","Nuclear hormone receptor subfamily 3 group B member 2","Nuclear hormone receptor subfamily 3 group B member 1","
CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Cytochrome P450","Carbonic anhydrases","Eicosanoid turnover","1.-.-.- Oxidoreductases","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes"
,"SLC superfamily of solute carriers","Catalytic receptors","G protein-coupled receptors",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","CYP1 family","Prostaglandin synthases","1F. Retinoic acid-relate
d orphans",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","1.14.11.- Histone demethylases","CYP2 family: drug metabolising subset","SLC65 NPC-type cholesterol transporters","Receptor ki
nases","CYP3 family","Dopamine receptors","3B. Estrogen-related receptors","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","ERK subfamily","Receptor tyrosine kinases (RTKs)","T
ype I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{Metabolism,"Metabolism of RNA","Gene expression (Transcription)","Neuronal System","Cellular responses to external stimuli","Immune System","Transport of small molecules","Signal Transduction","Cell 
Cycle","Vesicle-mediated transport",Disease,"Biological oxidations","Reversible hydration of carbon dioxide","Metabolism of lipids","Metabolism of non-coding RNA","RNA Polymerase II Transcription","Tr
ansmission across Chemical Synapses","Cellular responses to stress","Innate Immune System","O2/CO2 exchange in erythrocytes","Plasma lipoprotein assembly",remodeling,"and clearance","Signaling by GPCR
",Mitotic,"Metabolism of amino acids and derivatives","Membrane Trafficking","Cell Cycle Checkpoints","Signaling by Rho GTPases","Infectious disease","Metabolism of vitamins and cofactors","Phase I - 
Functionalization of compounds","Fatty acid metabolism","Metabolism of steroids","snRNP Assembly","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","Neurotran
smitter receptors and postsynaptic signal transmission","Cellular response to hypoxia","Toll-like Receptor Cascades","Erythrocytes take up carbon dioxide and release oxygen","Plasma lipoprotein cleara
nce","GPCR downstream signalling","M Phase","Branched-chain amino acid catabolism","trans-Golgi Network Vesicle Budding","G1/S DNA Damage Checkpoints","Rho GTPase cycle","Leishmania infection","Metabo
lism of fat-soluble vitamins","Cytochrome P450 - arranged by substrate type","Arachidonic acid metabolism","Metabolism of steroid hormones","Transcriptional regulation by RUNX3","Biosynthesis of DHA-d
erived SPMs","Activation of NMDA receptors and postsynaptic events","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Ethanol oxidation","Biosynthesis of DPA-derived SPMs","T
oll Like Receptor 5 (TLR5) Cascade","LDL clearance","Fatty acyl-CoA biosynthesis","G alpha (q) signalling events","Mitotic Metaphase and Anaphase","Golgi Associated Vesicle Biogenesis","p53-Dependent 
G1/S DNA damage checkpoint","RHOBTB GTPase Cycle","Leishmania parasite growth and survival","Retinoid metabolism and transport","Nuclear Receptor transcription pathway","Transcriptional regulation by 
RUNX2","Endogenous sterols","Synthesis of Prostaglandins (PG) and Thromboxanes (TX)","Estrogen biosynthesis","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of D-series resolvins","
Post NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane",Xenobiotics,"Synthesis of very long-chain fatty acyl-CoAs","Gastrin-CREB signalling pat
hway via PKC and MAPK","Mitotic Anaphase","p53-Dependent G1 DNA Damage Response","Biosynthesis of maresins","RHOBTB3 ATPase cycle","Anti-inflammatory response favouring Leishmania parasite infection",
"Regulation of RUNX2 expression and activity","Activation of AMPK downstream of NMDARs","Biosynthesis of DPAn-3-derived maresins","MAP kinase activation","CYP2E1 reactions","TAK1 activates NFkB by pho
sphorylation and activation of IKKs complex","EGFR Transactivation by Gastrin","Nuclear Envelope (NE) Reassembly","Stabilization of p53","Biosynthesis of maresin-like SPMs","ADORA2B mediated anti-infl
ammatory cytokines production","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","Autodegradation of the E3 ubiquitin ligase COP1","ERK/MAPK targ
ets","ERKs are inactivated"}

> <broad_targets>
{CYP19A1,ESRRA,ESRRB,ESRRG,FASN}

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

> <synonyms>
{491-80-5,491805,Biochanin,4'-Methylgenistein,4'Methylgenistein,"5,7-Dihydroxy-4'-methoxyisoflavone","5,7Dihydroxy4'methoxyisoflavone","5,7-Dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one","5,7Dihydrox
y3(4methoxyphenyl)4Hchromen4one",olmelin,Pratensol,4-Methylgenistein,4Methylgenistein,"Genistein 4-methyl ether","Genistein 4methyl ether",4H-1-Benzopyran-4-one,4H1Benzopyran4one,5,7-dihydroxy-3-(4-m,
7dihydroxy3(4m,T2859,S2377,"Biochanin A"}

> <pdid>
PD001613

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{5280373}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8934   -5.2570    0.0000 C   0  0
   -5.1924   -6.0071    0.0000 C   0  0
   -6.4914   -5.2571    0.0000 C   0  0
   -7.7905   -6.0071    0.0000 O   0  0
   -6.4915   -3.7571    0.0000 C   0  0
   -7.7905   -3.0071    0.0000 O   0  0
   -5.1925   -3.0071    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
 17 10  1  0
  7 18  2  0
 18  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13722

> <plate>
PLATE 001

> <well>
C2

> <supplier_cmpd_name>
Piceatannol

> <ctcr_id>
7259

> <supplier_cmpd_id>
T0610

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

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

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

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

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

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

> <broad_moa>
{"SYK inhibitor"}

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

> <pdid>
PD002653

> <targets>
{Syk,Others}

> <classes>
{}

> <pubchem_cids>
{667639}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    6.4870   -5.2597    0.0000 C   0  0
    6.4915   -3.7597    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 17  1  0
 17 18  2  0
 18 12  1  0
 18 19  1  0
 19  9  1  0
 19 20  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13723

> <plate>
PLATE 001

> <well>
C3

> <supplier_cmpd_name>
Formononetin

> <ctcr_id>
2240

> <supplier_cmpd_id>
T0724

> <smiles>
COc1ccc(cc1)C2=COc3cc(O)ccc3C2=O

> <pd_targets>
{HSD17B10,TP53,CYP1B1,IL2,CYP3A4,MAOB,NA,SMN1,KDM4E,CYP2C19,MAPT,ALDH1A1,HPGD,MAOA,CYP2D6,LEF,KMT2A,MEN1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Secreted protein","Epigenetic regulator","Other cytosolic protein",Oxidoreductase,"Cytochrome P450",Hydrolase,Reader,Eraser,Protease,"Cytochrome P450 family 1","Cytochr
ome P450 family 3","Methyl-lysine/arginine binding protein","Lysine demethylase","Cytochrome P450 family 2","Metallo protease",Bromodomain,"Cytochrome P450 family 1B","Cytochrome P450 family 3A","Tudo
r domain","Jumonji domain-containing","Cytochrome P450 family 2C","Cytochrome P450 family 2D","Metallo protease MAE clan","Cytochrome P450 1B1","Cytochrome P450 3A4","Cytochrome P450 2C19","Cytochrome
 P450 2D6","Metallo protease M34 family"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450","Catecholamine turnover","Chromatin modifying enzymes","Eicosanoid turnover","CYP1 family","CYP3 family","1.14.11.- Histone demethylases","CYP2 family: drug metabolising sub
set","Prostaglandin synthases"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Gene expression (Transcription)","Metabolism of RNA","Neuronal System",Disease,"Metabolism of amino acids and derivatives","Cell Cycle Checkpoints","Biological oxidations","R
NA Polymerase II Transcription","Metabolism of lipids","Metabolism of non-coding RNA","Transmission across Chemical Synapses","Infectious disease","Branched-chain amino acid catabolism","G1/S DNA Dama
ge Checkpoints","Phase I - Functionalization of compounds","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","snRNP Assembly","Neurotransmitter receptors and 
postsynaptic signal transmission","Uptake and actions of bacterial toxins","p53-Dependent G1/S DNA damage checkpoint","Cytochrome P450 - arranged by substrate type","Transcriptional regulation by RUNX
1","Biosynthesis of DHA-derived SPMs","Amine Oxidase reactions","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Uptake and function of anthrax toxins","p53-Dependent G1 DNA
 Damage Response","Endogenous sterols","RUNX1 and FOXP3 control the development of regulatory T lymphocytes (Tregs)","Biosynthesis of maresins","Biogenic amines are oxidatively deaminated to aldehydes
 by MAOA and MAOB",Xenobiotics,"Post NMDA receptor activation events","Biosynthesis of D-series resolvins","Stabilization of p53","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Activation of 
AMPK downstream of NMDARs","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{ADH1C,SLC5A2}

> <broad_moa>
{"alcohol dehydrogenase inhibitor"}

> <synonyms>
{485-72-3,485723,"Biochanin B",Formononetol,7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one,7hydroxy3(4methoxyphenyl)4Hchromen4one,7-Hydroxy-4'-methoxyisoflavone,7Hydroxy4'methoxyisoflavone,7-hydroxy-3
-(4-methoxyphenyl)chromen-4-one,7hydroxy3(4methoxyphenyl)chromen4one,"4H-1-Benzopyran-4-one, 7-hydroxy-3-(4-methoxyphenyl)-","4H1Benzopyran4one, 7hydroxy3(4methoxyphenyl)",4'-O-methyldaidz,4'Omethylda
idz,T0724,102007,Formononetin,FORMONONETIN}

> <pdid>
PD002254

> <targets>
{Apoptosis,FGFR}

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

> <pubchem_cids>
{5280378}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1962    3.0000    0.0000 O   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  9  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18  6  1  0
 18 19  2  0
 19  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13724

> <plate>
PLATE 001

> <well>
C4

> <supplier_cmpd_name>
Chrysophanic Acid

> <ctcr_id>
6506

> <supplier_cmpd_id>
T2995

> <smiles>
Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1

> <pd_targets>
{KDM4E,KMT2A,MEN1,RECQL,ELANE,MAPT,PTGS2,MAPK1,CYP3A4,PTGS1,TSHR,ALDH1A1,TDP1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Other cytosolic protein","Membrane receptor",Eraser,Reader,Protease,Oxidoreductase,Kinase,"Cytochrome P450","Family A G protein-coupled receptor",Hydrolase,"Lysine deme
thylase",Bromodomain,"Serine protease","Protein Kinase","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Jumonji domain-containing","Serine protease PA clan","CMGC protein kinase group",
"Cytochrome P450 family 3A","Glycohormone receptor","Serine protease S1A subfamily","CMGC protein kinase MAPK family","Cytochrome P450 3A4","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Peptidases and proteinases","Eicosanoid turnover","Kinases (EC 2.7.x.x)","Cytochrome P450","G protein-coupled receptors","1.14.11.- Histone demethylas
es","PA: Serine (S) Peptidases",Cyclooxygenase,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP3 family","Glycoprotein hormone receptors","S1: Chymotrypsin","Mitogen-activated protein kinases (MAP
 kinases)","ERK subfamily"}

> <pathway_reactome>
{"Immune System","Neuronal System",Metabolism,Disease,"DNA Repair","Innate Immune System","Transmission across Chemical Synapses","Metabolism of lipids","Infectious disease","Biological oxidations","D
NA Double-Strand Break Repair","Complement cascade","Neurotransmitter receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Toll-like Receptor Ca
scades","Fatty acid metabolism","Leishmania infection","Phase I - Functionalization of compounds","Nonhomologous End-Joining (NHEJ)","Regulation of Complement cascade","Activation of NMDA receptors an
d postsynaptic events","Biosynthesis of DPA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of DHA-derived SPMs","Arachidonic acid metabolism","Leishmania parasite growth and surviva
l","Ethanol oxidation","Post NMDA receptor activation events","Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresins","Synthesis of Prostaglandins (PG) an
d Thromboxanes (TX)","Anti-inflammatory response favouring Leishmania parasite infection","Activation of AMPK downstream of NMDARs","MAP kinase activation","Biosynthesis of maresin-like SPMs","ADORA2B
 mediated anti-inflammatory cytokines production","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{EGFR,MTOR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{"CHRYSOPHANIC ACID",481-74-3,481743,"1,8-Dihydroxy-3-methylanthraquinone","1,8Dihydroxy3methylanthraquinone",3-Methylchrysazin,3Methylchrysazin,"Turkey rhubarb","1,8-dihydroxy-3-methylanthracene-9,10
-dione","1,8dihydroxy3methylanthracene9,10dione","NSC 37132","NSC 646567","Crysophanic acid",1,8-Dihydroxy-3-methyl-9,8Dihydroxy3methyl9,10-anthrace,10anthrace,T2995,300545,"Chrysophanic Acid",CHRYSOP
HANOL}

> <pdid>
PD002009

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{10208}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.4470    5.2297    0.0000 S   0  0
   -2.9153    5.5365    0.0000 C   0  0
   -3.6607    4.2349    0.0000 C   0  0
   -2.6532    3.1236    0.0000 N   0  0
   -3.5322    6.9018    0.0000 C   0  0
   -2.6569    8.1199    0.0000 O   0  0
   -5.0256    7.0513    0.0000 N   0  0
   -5.6437    8.4190    0.0000 C   0  0
   -7.1360    8.5706    0.0000 C   0  0
   -8.0134    7.3540    0.0000 C   0  0
   -7.7509    9.9388    0.0000 C   0  0
   -6.8735   11.1554    0.0000 C   0  0
   -5.3812   11.0039    0.0000 C   0  0
   -4.7663    9.6357    0.0000 C   0  0
   -3.2739    9.4842    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 N   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 N   0  0
   -6.4915   -3.7597    0.0000 C   0  0
   -6.4870   -5.2605    0.0000 C   0  0
   -7.7833   -6.0153    0.0000 O   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  2  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 14  1  0
 20 21  1  0
  4 22  2  0
 22 23  1  0
 23 24  2  0
 24  2  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 28 32  1  0
 32 33  1  0
 33 25  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13725

> <plate>
PLATE 001

> <well>
C5

> <supplier_cmpd_name>
Dasatinib

> <ctcr_id>
6468

> <supplier_cmpd_id>
T1448

> <smiles>
Cc1nc(Nc2sc(cn2)C(=O)Nc3c(C)cccc3Cl)cc(n1)N4CCN(CCO)CC4

> <pd_targets>
{EPHB6,ERBB4,LCK,SRC,ABL1,BCR,BTK,EPHA2,CSK,CSNK1E,EPHB1,EPHB4,TUBA1A,RAF1,RET,RIPK2,PDGFRA,MAP4K3,BLK,MAP4K4,BMX,MAP4K2,TESK1,EPHA1,EGFR,ERBB2,FGFR1,KIT,TYK2,BMPR1B,PLK4,LIMK1,LIMK2,MAP2K1,SIK2,ACVR2
A,GAK,DDR2,IRAK4,ACVRL1,COQ8A,TAOK2,TAOK3,CDPK1,DYRK3,MAPK14,MAP4K1,PDGFRB,SLK,HTR2A,BRAF,FGR,FGFR2,NLK,FLT3,KCNH2,NORA,EPHB3,WEE2,JAK2,STK4,STK10,DDR1,STK36,EPHA8,FLT1,SBK1,TNIK,TXK,EPHB2,MINK1,MAPK1
1,ACVR1B,ACVR1,MAP4K5,TEC,DMPK,REP,KDR,FRK,WEE1,MAP3K20,TGFBR1,PTK6,SIK3,YES1,MAP3K19,MAP3K7,NEK11,MAPK12,MAPK13,HCK,JAK3,CDC42BPA,AURKA,FGFR3,MAP3K3,CYP3A4,STK26,ABL2,SIK1,SRMS,SYK,EIF2AK4,MAP3K13,PI
K3CA,PKMYT1,CSF1R,EPHA4,STK25,LYN,MAP2K2,CDC42BPB,TGFBR2,CDC42BPG,ACVR2B,EPHA6,MAP2K5,TNK2,PIK3CD,MTOR,MAP3K4,ULK3,ERBB3,MYLK2,FYN,TNNI3K,TAOK1,EPHA5,NEK2,AXL,VRK2,HTT,AURKB,EPHA3,PKN2,FES,STK35,MAP3K
10,BMPR1A,MAP3K2,ITK,ABCB11,MYT1,CACNA1C,CACNA1D,CACNA1F,CACNA1S,ABCC4,SCN5A,STAT5B}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Structural protein","Membrane receptor","Ion channel",Transporter,"Transcription factor",Kinase,"Family A G protein-coupled receptor","Voltage-gated ion channel","Cytoc
hrome P450",Transferase,"Primary active transporter","Protein Kinase","Small molecule receptor (family A GPCR)","Potassium channels","Cytochrome P450 family 3","ATP-binding cassette","Voltage-gated ca
lcium channel","Voltage-gated sodium channel","TK protein kinase group","Atypical protein kinase group","CK1 protein kinase group","TKL protein kinase group","STE protein kinase group","Other protein 
kinase group","CAMK protein kinase group","CMGC protein kinase group","Monoamine receptor","Voltage-gated potassium channel","AGC protein kinase group","Cytochrome P450 family 3A","ABCB subfamily","AB
CC subfamily","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Atypical protein kinase BCR family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Tec family",
"Tyrosine protein kinase Eph family","Tyrosine protein kinase Csk family","CK1 protein kinase CK1 family","TKL protein kinase RAF family","Tyrosine protein kinase Ret family","TKL protein kinase RIPK 
family","Tyrosine protein kinase PDGFR family","STE protein kinase STE20 family","TKL protein kinase LISK family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase JakA family","TKL prote
in kinase STKR family","Other protein kinase PLK family","STE protein kinase STE7 family","CAMK protein kinase CAMK1 family","Other protein kinase NAK family","Tyrosine protein kinase DDR family","TKL
 protein kinase IRAK family","CMGC protein kinase DYRK family","CMGC protein kinase MAPK family","Serotonin receptor","Other protein kinase WEE family","Other protein kinase ULK family","Tyrosine prot
ein kinase VEGFR family","Other protein kinase NKF1 family","AGC protein kinase DMPK family","TKL protein kinase MLK family","STE protein kinase STE11 family","Other protein kinase NEK family","Other 
protein kinase AUR family","Cytochrome P450 3A4","Tyrosine protein kinase Syk family","Other protein kinase PEK family","Tyrosine protein kinase Ack family","Atypical protein kinase PIKK family","CAMK
 protein kinase MLCK family","Tyrosine protein kinase Axl family","AGC protein kinase PKN family","Tyrosine protein kinase Fer family","Other protein kinase NKF4 family","STE protein kinase KHS subfam
ily","STE protein kinase MSN subfamily","TKL protein kinase TESK subfamily","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase LIMK subfamily","CAMK protein kinase QIK subfamily","TKL prot
ein kinase STKR Type 2 subfamily","STE protein kinase TAO subfamily","CMGC protein kinase Dyrk2 subfamily","CMGC protein kinase p38 subfamily","STE protein kinase SLK subfamily","CMGC protein kinase n
mo subfamily","Other protein kinase WEE1","STE protein kinase MST subfamily","TKL protein kinase STKR1","AGC protein kinase GEK subfamily","TKL protein kinase MLK subfamily","TKL protein kinase TAK1 s
ubfamily","Other protein kinase Nek11","STE protein kinase MEKK2","STE protein kinase YSK subfamily","Tyrosine protein kinase Srm","Other protein kinase GCN2 subfamily","TKL protein kinase LZK subfami
ly","Atypical protein kinase FRAP subfamily","Tyrosine protein kinase SrcA","TKL protein kinase HH498 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Ion channels",Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)",Tubulins,"G protein-coupled receptors","Voltage-gated ion channels","Anti-infective 
targets","Cytochrome P450","ATP-binding cassette transporter family","Receptor kinases","CK1: Casein kinase 1","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmo
dulin-dependent protein kinases",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","5-Hydroxytryptamine receptors","Potassium channels","AGC: Containing PKA",PKG,"PKC families","Viral protein t
argets","CYP3 family","Lipid modifying kinases","ABCB subfamily","ABCC subfamily","Voltage-gated sodium channels","TK: Tyrosine kinase","Casein kinase 1 (CK1) family","TKL: Tyrosine kinase-like","STE2
0 family","Other protein kinases","STE7 family","CAMK-like (CAMKL) family","ABC1 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Mitogen-activated protein kinas
es (MAP kinases)","Voltage-gated potassium channels","DMPK family","Coronavirus (CoV) proteins","STE11 family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidyl inositol 3' kinase-
related kinases (PIKK) family","Myosin Light Chain Kinase (MLCK) family","Vaccina related kinase (VRK) family","Protein kinase N (PKN) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine
 kinases (nRTKs)","RAF family","Receptor interacting protein kinase (RIPK) family","KHS subfamily","MSN subfamily","LIM domain kinase (LISK) family","Receptor serine/threonine kinase (RSTK) family","P
olo-like kinase (PLK) family","QIK subfamily","Numb-associated kinase (NAK) family","Interleukin-1 receptor-associated kinase (IRAK) family","ABC1-B subfamily","TAO subfamily","Dyrk2 subfamily","p38 s
ubfamily","SLK subfamily","nmo subfamily","WEE family","MST subfamily","Unc-51-like kinase (ULK) family","NKF1 family","GEK subfamily","Mixed Lineage Kinase (MLK) family","STE20 subfamily","NIMA (neve
r in mitosis gene a)- related kinase (NEK) family","Aurora kinase (Aur) family","YSK subfamily","PEK family","FRAP subfamily","NKF4 family","Type XIII RTKs: Ephrin receptor family","Type I RTKs: ErbB 
(epidermal growth factor) receptor family","Src family","Abl family","Tec family","Csk family","Type XIV RTKs: RET","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","TESK subfamily","Type V RTKs
: FGF (fibroblast growth factor) receptor family","Janus kinase (JakA) family","Type I receptor serine/threonine kinases","LIMK subfamily","Type II receptor serine/threonine kinases","Type XVI RTKs: D
DR (collagen receptor) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","MLK subfamily","TAK1 subfamily","Syk family","GCN2 subfamily","LZK subfamily","Ack family","HH
498 subfamily","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Fer family"}

> <pathway_reactome>
{"Developmental Biology","Neuronal System",Disease,"Signal Transduction","Cell Cycle","Immune System","Gene expression (Transcription)","Cellular responses to external stimuli",Metabolism,"Cell-Cell c
ommunication","Vesicle-mediated transport","Extracellular matrix organization","Muscle contraction","Programmed Cell Death","Circadian Clock",Hemostasis,"Nervous system development","Transmission acro
ss Chemical Synapses","Infectious disease","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"MAPK family signaling ca
scades","Innate Immune System","RNA Polymerase II Transcription","Cellular responses to stress","Metabolism of lipids","Cell junction organization","Signaling by GPCR","Cytokine Signaling in Immune sy
stem","Signaling by TGFB family members","Signaling by NODAL","Membrane Trafficking","Non-integrin membrane-ECM interactions","Intracellular signaling by second messengers","Signaling by WNT","Cardiac
 conduction","Signaling by Hippo","Cell Cycle Checkpoints",Apoptosis,"Signaling by Non-Receptor Tyrosine Kinases","Signaling by Hedgehog","Signaling by Rho GTPases","Adaptive Immune System","Platelet 
activation","signaling and aggregation","Axon guidance","Neurotransmitter receptors and postsynaptic signal transmission","HIV Infection","Signaling by NTRKs","Leishmania infection","Oncogenic MAPK si
gnaling","Mitotic G2-G2/M phases","MAPK1/MAPK3 signaling","Toll-like Receptor Cascades","Signaling by PDGFR in disease","Generic Transcription Pathway","Cellular Senescence","Phospholipid metabolism",
"Cell-extracellular matrix interactions","GPCR downstream signalling","Signaling by FGFR in disease","Signaling by KIT in disease","Interferon Signaling","Signaling by BMP","Regulation of signaling by
 NODAL","trans-Golgi Network Vesicle Budding","PIP3 activates AKT signaling","GPCR ligand binding","Beta-catenin independent WNT signaling","Signaling by Insulin receptor","Phase 3 - rapid repolarisat
ion","Mitotic G1 phase and G1/S transition","Neutrophil degranulation","Signaling by VEGF","Fc epsilon receptor (FCERI) signaling","Signaling by Interleukins","Ion homeostasis","SARS-CoV Infections","
G2/M Checkpoints","Signaling by TGF-beta Receptor Complex in Cancer","Biosynthesis of specialized proresolving mediators (SPMs)","Apoptotic execution phase","Signaling by PTK6","Response of EIF2AK4 (G
CN2) to amino acid deficiency","Hedgehog 'on' state","M Phase","Regulation of mitotic cell cycle","RHO GTPase Effectors","TCR signaling","Metabolism of steroids","Response to elevated platelet cytosol
ic Ca2+","EPH-Ephrin signaling","Activation of NMDA receptors and postsynaptic events","Host Interactions of HIV factors","Signaling by NTRK1 (TRKA)","Parasite infection","Signaling by RAS mutants","G
2/M Transition","RAF/MAP kinase cascade","RET signaling","Toll Like Receptor 5 (TLR5) Cascade","Drug resistance of PDGFR mutants","Transcriptional regulation by RUNX1","Oxidative Stress Induced Senesc
ence","PI Metabolism","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","G alpha (q) signalling events","Semaphorin interactions","Signaling by FGFR1 in disease","Dr
ug resistance of KIT mutants","Interferon alpha/beta signaling","Golgi Associated Vesicle Biogenesis","Toll Like Receptor 2 (TLR2) Cascade","Negative regulation of the PI3K/AKT network","Class A/1 (Rh
odopsin-like receptors)","Leishmania parasite growth and survival","Signaling by FGFR2 in disease","Ca2+ pathway","Insulin receptor signalling cascade","G1 Phase","VEGF ligand-receptor interactions","
FCERI mediated Ca+2 mobilization",Interleukin-3,"Interleukin-5 and GM-CSF signaling","SARS-CoV-1 Infection","VEGFA-VEGFR2 Pathway","PTEN Regulation","G2/M DNA damage checkpoint","Loss of Function of S
MAD2/3 in Cancer","Toll Like Receptor 4 (TLR4) Cascade","Interleukin-2 family signaling","Transcriptional Regulation by TP53","Signaling by FGFR3 in disease","Interleukin-1 family signaling","Biosynth
esis of DHA-derived SPMs","Apoptotic cleavage of cellular proteins","Signaling by ROBO receptors","PTK6 Down-Regulation","Transcriptional Regulation by VENTX","Mitotic Metaphase and Anaphase","APC/C-m
ediated degradation of cell cycle proteins","Transcriptional Regulation by MECP2","RHO GTPases activate PKNs","Generation of second messenger molecules","Bile acid and bile salt metabolism","Platelet 
degranulation","L1CAM interactions","EPHB-mediated forward signaling","Post NMDA receptor activation events","The role of Nef in HIV-1 replication and disease pathogenesis","Signalling to ERKs","Leish
mania phagocytosis","EPHA-mediated growth cone collapse","Signaling downstream of RAS mutants","Centrosome maturation","Negative regulation of MAPK pathway","MyD88 cascade initiated on plasma membrane
","Imatinib-resistant PDGFR mutants","RUNX1 regulates transcription of genes involved in BCR signaling","Synthesis of PIPs at the plasma membrane","Gastrin-CREB signalling pathway via PKC and MAPK","S
ema4D in semaphorin signaling","FGFR1 mutant receptor activation","Dasatinib-resistant KIT mutants","Regulation of IFNA signaling","Toll Like Receptor TLR6:TLR2 Cascade",PI5P,"PP2A and IER3 Regulate P
I3K/AKT Signaling","Amine ligand-binding receptors","Anti-inflammatory response favouring Leishmania parasite infection","FGFR2 mutant receptor activation","IRS-mediated signalling","Cyclin D associat
ed events in G1","VEGF binds to VEGFR leading to receptor dimerization","SARS-CoV-1 Genome Replication and Transcription","VEGFR2 mediated cell proliferation","Regulation of PTEN stability and activit
y","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","SMAD2/3 Phosphorylation Motif Mutants in Cancer","MyD88-independent TLR4 cascade","Interleukin-15 signaling","Regulation of TP53 Ac
tivity","Signaling by FGFR3 point mutants in cancer","Interleukin-1 signaling","Biosynthesis of maresins","Role of ABL in ROBO-SLIT signaling","Cyclin A/B1/B2 associated events during G2/M transition"
,"Signalling to ERK5","Interleukin receptor SHC signaling","Mitotic Anaphase","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of MECP2 expression and activit
y","CRMPs in Sema3A signaling","Synthesis of bile acids and bile salts","Interaction between L1 and Ankyrins","Long-term potentiation","Nef-mediates down modulation of cell surface receptors by recrui
ting them to clathrin adapters","Signalling to RAS","FCGR3A-mediated phagocytosis","Loss of proteins required for interphase microtubule organization from the centrosome","Negative feedback regulation
 of MAPK pathway","MAP kinase activation","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","Signaling by activated point mutants of FGFR1","Prolonged ERK acti
vation events","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Serotonin receptors","FCGR3A-mediated IL10 synthesis","Activated point mutants of FGFR2","PI3K Cascade","Replication of the SARS
-CoV-1 genome","TRIF(TICAM1)-mediated TLR4 signaling","Nef and signal transduction","Regulation of TP53 Activity through Phosphorylation","FGFR3 mutant receptor activation","Biosynthesis of maresin-li
ke SPMs","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Expression and Degradation","Separation of Sister Chromatids","APC/C:Cdc20 mediated degradation of mitotic proteins","Nuclear
 Envelope (NE) Reassembly","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","Nef Mediated CD4 Down-regulation","p38MAPK events","Loss of Nlp from mitotic centrosomes","activated 
TAK1 mediates p38 MAPK activation","Frs2-mediated activation","MAPK targets/ Nuclear events mediated by MAP kinases","ARMS-mediated activation","TRAF6-mediated induction of TAK1 complex within TLR4 co
mplex","Signaling by activated point mutants of FGFR3","Regulation of TP53 Degradation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Initi
ation of Nuclear Envelope (NE) Reformation","Activation of the AP-1 family of transcription factors","APC-Cdc20 mediated degradation of Nek2A"}

> <broad_targets>
{ABL1,ABL2,BLK,EPHA2,FGR,FRK,FYN,HCK,KIT,LCK,LYN,PDGFRB,SRC,SRMS,STAT5B,YES1}

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

> <synonyms>
{Dasatinib,302962-49-8,302962498,Sprycel,BMS-354825,BMS354825,"BMS 354825","Dasatinib anhydrous","Dasatinib (anhydrous)","Dasatinib (BMS-354825)","Dasatinib (BMS354825)","anh. dasatinib",UNII-X78UG0A0
RN,UNIIX78UG0A0RN,"anhydrous dasatinib","dasatinib (anh.)",CHEMBL1421,X78UG0A0RN,CHEBI:49375,NSC732,T1448,T1448L,732517,S1021,"NSC 732517","Dasatinib monohydrate",dasatinib,DASATINIB}

> <pdid>
PD003446

> <targets>
{Abl/Src,c-Kit,Bcr-Abl,Src-bcr-Abl,SRC,Src,ABL,PDGFR,Apoptosis,Autophagy}

> <classes>
{BCR/ABL/Src inhibitor,Angiogenesis,Apoptosis,Autophagy,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{3062316}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    7.7947   -3.0293    0.0000 C   0  0
    6.4915   -3.7721    0.0000 N   0  0
    5.1954   -3.0153    0.0000 C   0  0
    5.2033   -1.5153    0.0000 O   0  0
    3.8915   -3.7585    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -4.6589    2.9478    0.0000 C   0  0
   -5.1253    4.3743    0.0000 C   0  0
   -6.5925    4.6865    0.0000 C   0  0
   -7.0558    6.1131    0.0000 C   0  0
   -6.0520    7.2277    0.0000 C   0  0
   -4.5848    6.9156    0.0000 C   0  0
   -4.1215    5.4889    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 15  1  0
 19 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 16 28  2  0
 28 12  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13726

> <plate>
PLATE 001

> <well>
C6

> <supplier_cmpd_name>
Axitinib

> <ctcr_id>
4551

> <supplier_cmpd_id>
T1452

> <smiles>
CNC(=O)c1ccccc1Sc2ccc3c([nH]nc3C=Cc4ccccn4)c2

> <pd_targets>
{MARK2,MAP3K20,CDK2,FLT1,PDPK1,DCLK1,ALK,AXL,LCK,SRPK1,TYK2,PKN2,STK3,TBK1,CSNK2A1,PDGFRA,CAMK2D,NTRK2,MAP4K5,RET,PRKAA1,PDGFRB,IRAK1,PAK4,MAP4K2,TSSK1B,IKBKE,BRSK1,RPS6KA3,MAP4K4,MET,KIT,AURKA,BLK,MK
NK2,SLK,PLK4,PHKG2,LYN,FGFR1,CSF1R,MAPK14,LIMK1,ABL1,FLT4,FGFR3,MST1R,CAMK2G,RPS6KB1,LRRK2,ROCK2,KDR,AURKB,MARK3,MINK1,GAK,MAP3K4,FLT3,HUNK,AAK1,TNIK,GRK4,BMPR1B,DDR2,MAPK8,JAK3,EGFR,STK4,RIPK1,NUAK2,
YES1,TESK1,SRPK3,MAP3K9,ACVR2B,ULK2,BMP2K,MAP3K19,ANKK1,MYLK3,CAMKK2,RIPK2,EIF2AK2,MAP4K3,STK16,DDR1,CDKL2,AURKC,CSNK2A2,TIE1,CDK16,RIPK4,FGFR2,CDC42BPB,ABL2,JAK2,MYO3A,SIK1,RIOK3,MAP2K1,TTK,MAPK10,RO
S1,TNK1,MAP4K1,MAP2K2,RIOK1,MYLK2,MERTK,ULK3,TXK,MAP3K12,MAP2K5,STK10,MAP3K3,FGR,CSK,CAMKK1,EPHB6,NTRK1,TEK,ITK,TNK2}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","CAMK protein kinase group","TKL protein kinase group","CMGC protein kinase group","TK protein kinase group","AGC protein kinase group","STE prot
ein kinase group","Other protein kinase group","Atypical protein kinase group","CAMK protein kinase CAMK1 family","TKL protein kinase MLK family","CMGC protein kinase CDK family","Tyrosine protein kin
ase VEGFR family","AGC protein kinase PDK1 subfamily","CAMK protein kinase DCAMK1 family","TKL protein kinase STKR family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Src family","CM
GC protein kinase SRPK family","Tyrosine protein kinase JakA family","AGC protein kinase PKN family","STE protein kinase STE20 family","Other protein kinase IKK family","Other protein kinase CK2 famil
y","Tyrosine protein kinase PDGFR family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase Trk family","Tyrosine protein kinase Ret family","TKL protein kinase IRAK family","CAMK protein ki
nase TSSK family","AGC protein kinase RSK family","Tyrosine protein kinase Met family","Other protein kinase AUR family","CAMK protein kinase MAPKAPK family","Other protein kinase PLK family","CAMK pr
otein kinase PHk family","Tyrosine protein kinase FGFR family","CMGC protein kinase MAPK family","TKL protein kinase LISK family","Tyrosine protein kinase Abl family","TKL protein kinase LRRK family",
"AGC protein kinase DMPK family","Other protein kinase NAK family","STE protein kinase STE11 family","AGC protein kinase GRK family","Tyrosine protein kinase DDR family","Tyrosine protein kinase EGFR 
family","TKL protein kinase RIPK family","Other protein kinase ULK family","CAMK protein kinase MLCK family","Other protein kinase CAMKK family","Other protein kinase PEK family","CMGC protein kinase 
CDKL family","Tyrosine protein kinase Tie family","Atypical protein kinase RIO family","STE protein kinase STE7 family","Other protein kinase TTK family","Tyrosine protein kinase Sev family","Tyrosine
 protein kinase Ack family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Csk family","CAMK protein kinase MARK subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase CDC2 
subfamily","TKL protein kinase STKR Type 1 subfamily","STE protein kinase MST subfamily","STE protein kinase KHS subfamily","CAMK protein kinase AMPK subfamily","STE protein kinase PAKB subfamily","CA
MK protein kinase BRSK subfamily","AGC protein kinase RSK subfamily","STE protein kinase MSN subfamily","CAMK protein kinase MNK subfamily","STE protein kinase SLK subfamily","CMGC protein kinase p38 
subfamily","TKL protein kinase LIMK subfamily","AGC protein kinase p70 subfamily","AGC protein kinase ROCK subfamily","AGC protein kinase GRK subfamily","CMGC protein kinase JNK subfamily","CAMK prote
in kinase NuaK subfamily","TKL protein kinase TESK subfamily","TKL protein kinase STKR Type 2 subfamily","Other protein kinase Meta subfamily","Other protein kinase PKR","CMGC protein kinase TAIRE sub
family","AGC protein kinase GEK subfamily","STE protein kinase NinaC subfamily","CAMK protein kinase QIK subfamily","Atypical protein kinase RIO3 subfamily","Atypical protein kinase RIO1 subfamily","S
TE protein kinase MEKK2"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing
 PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",Atypical,"CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","Cyclin-dependent kinase (CDK) family","TK
: Tyrosine kinase","PDK1 family","DCAMKL family","SRPK family","Protein kinase N (PKN) family","STE20 family","Other protein kinases","CAMK2 family","Testis specific kinase (TSSK) family","RSK family"
,"MAPK-Activated Protein Kinase (MAPKAPK) family","Phosphorylase kinase (PHK) family","Mitogen-activated protein kinases (MAP kinases)","DMPK family","STE11 family","G protein-coupled receptor kinases
 (GRKs)","Myosin Light Chain Kinase (MLCK) family","Cyclin-dependent kinase-like (CDKL) family","RIO family","STE7 family","MARK subfamily","Mixed Lineage Kinase (MLK) family","CDK1 subfamily","Recept
or tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","MST subfamily","IKK family","Casein kinase 2 (CK2) family","KHS subfamily","AMPK subfamily","Interleukin-1 receptor-associated kina
se (IRAK) family","PAKB subfamily","BRSK subfamily","RSK subfamily","MSN subfamily","Aurora kinase (Aur) family","MKN subfamily","SLK subfamily","Polo-like kinase (PLK) family","p38 subfamily","LIM do
main kinase (LISK) family","p70 subfamily","Leucine-rich repeat kinase (LRRK) family","Rho kinase","Numb-associated kinase (NAK) family","HUNK subfamily","NAK family","GRK4 subfamily","Receptor serine
/threonine kinase (RSTK) family","JNK subfamily","Receptor interacting protein kinase (RIPK) family","NuaK subfamily","Unc-51-like kinase (ULK) family","STE20 subfamily","CAMKK family","PEK family","T
AIRE subfamily","GEK subfamily","NinaC subfamily","QIK subfamily","RIO3 subfamily","TTK family","RIO1 subfamily","MLK subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor famil
y","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Src family","Janus kinase (JakA) family","Type III RTKs: PDGFR",CSFR
,Kit,"FLT3 receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type XIV RTKs: RET","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type V RTKs: FGF (fibroblast growth fa
ctor) receptor family","LIMK subfamily","Abl family","Type I receptor serine/threonine kinases","Type XVI RTKs: DDR (collagen receptor) family","Type I RTKs: ErbB (epidermal growth factor) receptor fa
mily","TESK subfamily","Type II receptor serine/threonine kinases","Meta subfamily","Other PEK family kinases","Type XII RTKs: TIE family of angiopoietin receptors","Type XVII RTKs: ROS receptors","Ac
k family","Tec family","LZK subfamily","Csk family","Type XIII RTKs: Ephrin receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction",Disease,"Immune System","Neuronal System","Developmental Biology","Cellular responses to external stimuli","Cell Cycle",Metabolism,"Vesicle-med
iated transport","Extracellular matrix organization","Cell-Cell communication","Circadian Clock","Metabolism of RNA",Hemostasis,"RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinase
s","Infectious disease","Cytokine Signaling in Immune system","Signaling by Rho GTPases","Signaling by Hippo","Innate Immune System","Diseases of signal transduction by growth factor receptors and sec
ond messengers","Transmission across Chemical Synapses","Nervous system development","Intracellular signaling by second messengers","Cellular responses to stress",Mitotic,"Metabolism of carbohydrates"
,"MTOR signalling","Signaling by Non-Receptor Tyrosine Kinases","Membrane Trafficking","Signaling by GPCR","Signaling by TGFB family members","Non-integrin membrane-ECM interactions","Cell junction or
ganization","Signaling by NODAL","rRNA processing","Cell surface interactions at the vascular wall","Signaling by Hedgehog","MAPK family signaling cascades","Adaptive Immune System","Generic Transcrip
tion Pathway","Signaling by VEGF","HIV Infection","Interferon Signaling","RHO GTPase Effectors","Toll-like Receptor Cascades","Signaling by PDGFR in disease","Neurotransmitter receptors and postsynapt
ic signal transmission","Signaling by NTRKs","Axon guidance","PIP3 activates AKT signaling","Cellular Senescence","Signaling by KIT in disease","Mitotic G2-G2/M phases","Glycogen metabolism","Leishman
ia infection","Signaling by FGFR in disease","Signaling by MST1","mTORC1-mediated signalling","Signaling by PTK6","M Phase","Oncogenic MAPK signaling","trans-Golgi Network Vesicle Budding","Signaling 
by Insulin receptor","Clathrin-mediated endocytosis","GPCR downstream signalling","Signaling by BMP","Signaling by Interleukins","Cell-extracellular matrix interactions","Regulation of signaling by NO
DAL","Influenza Infection","Mitotic G1 phase and G1/S transition","rRNA processing in the nucleus and cytosol","Hedgehog 'on' state","Fc epsilon receptor (FCERI) signaling","Neutrophil degranulation",
"MAPK1/MAPK3 signaling","TCR signaling","Transcriptional Regulation by TP53","VEGF ligand-receptor interactions","VEGFA-VEGFR2 Pathway","Host Interactions of HIV factors","Interferon alpha/beta signal
ing","RHO GTPases activate PKNs","Toll Like Receptor 4 (TLR4) Cascade","Drug resistance of PDGFR mutants","Activation of NMDA receptors and postsynaptic events","Signaling by NTRK1 (TRKA)","RET signal
ing","Negative regulation of the PI3K/AKT network","Toll Like Receptor 5 (TLR5) Cascade","Signaling by ROBO receptors","Oxidative Stress Induced Senescence","Semaphorin interactions","Drug resistance 
of KIT mutants","Transcriptional regulation by RUNX1","G2/M Transition","Glycogen breakdown (glycogenolysis)","Leishmania parasite growth and survival","Signaling by FGFR1 in disease","Transcriptional
 Regulation by VENTX","Parasite infection","Signaling by FGFR3 in disease","PTK6 promotes HIF1A stabilization","Mitotic Metaphase and Anaphase","Signaling by RAS mutants","Golgi Associated Vesicle Bio
genesis","Insulin receptor signalling cascade","Cargo recognition for clathrin-mediated endocytosis","G alpha (i) signalling events","Interleukin-2 family signaling","G alpha (q) signalling events","R
egulation of cytoskeletal remodeling and cell spreading by IPP complex components","NS1 Mediated Effects on Host Pathways","Signaling by FGFR2 in disease","G1 Phase","Major pathway of rRNA processing 
in the nucleolus and cytosol","FCERI mediated Ca+2 mobilization","Interleukin-1 family signaling","EPH-Ephrin signaling","RAF/MAP kinase cascade","Generation of second messenger molecules","Regulation
 of TP53 Activity","VEGF binds to VEGFR leading to receptor dimerization","The role of Nef in HIV-1 replication and disease pathogenesis","Regulation of IFNA signaling","MyD88-independent TLR4 cascade
","Imatinib-resistant PDGFR mutants","Post NMDA receptor activation events","Activation of TRKA receptors",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","MyD88 cascade initiated on plasma membrane"
,"Activation of RAC1","Sema4D in semaphorin signaling","Dasatinib-resistant KIT mutants","RUNX1 regulates transcription of genes involved in BCR signaling","Centrosome maturation","Anti-inflammatory r
esponse favouring Leishmania parasite infection","FGFR1 mutant receptor activation","Leishmania phagocytosis","Signaling by FGFR3 point mutants in cancer","VEGFR2 mediated cell proliferation","Mitotic
 Anaphase","Signaling downstream of RAS mutants","IRS-mediated signalling","Visual phototransduction","Interleukin-15 signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Inhibition of PKR",
"FGFR2 mutant receptor activation","Role of ABL in ROBO-SLIT signaling","Cyclin D associated events in G1","Signalling to ERKs","Signalling to ERK5","Interleukin-1 signaling","EPHB-mediated forward si
gnaling","Regulation of TP53 Expression and Degradation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","TRIF(TICAM1)-mediated TLR4 signaling","Regula
tion of TP53 Activity through Phosphorylation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","NGF-independant TRKA activation","MAP kinase activation","Sema4D medi
ated inhibition of cell attachment and migration","Loss of proteins required for interphase microtubule organization from the centrosome","FCGR3A-mediated IL10 synthesis","Signaling by activated point
 mutants of FGFR1","Sema4D induced cell migration and growth-cone collapse","FCGR3A-mediated phagocytosis","FGFR3 mutant receptor activation","Separation of Sister Chromatids","PI3K Cascade","The phot
otransduction cascade","EGFR Transactivation by Gastrin","Activation of AMPK downstream of NMDARs","Activated point mutants of FGFR2","Prolonged ERK activation events","Activation of RAC1 downstream o
f NMDARs","Regulation of TP53 Degradation","Nef Mediated CD4 Down-regulation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Ras activation upon Ca2+ influx through NMDA receptor","activated 
TAK1 mediates p38 MAPK activation","MAPK targets/ Nuclear events mediated by MAP kinases","Loss of Nlp from mitotic centrosomes","Signaling by activated point mutants of FGFR3",Inactivation,"recovery 
and regulation of the phototransduction cascade","IKK complex recruitment mediated by RIP1","Frs2-mediated activation","ARMS-mediated activation","CREB phosphorylation","Activation of the AP-1 family 
of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{N-methyl-2-((3-(2-(2-pyridinyl)ethenyl)-1H-indazol-6-yl)thio)benzamide,Nmethyl2((3(2(2pyridinyl)ethenyl)1Hindazol6yl)thio)benzamide,Kinome_3641,Kinome3641,Kinome-3641,"Kinome 3641","Axitinib-(13C,d3)
","Axitinib(13C,d3)",CHEMBL1988437,HMS3244B04,HMS3244B08,HMS3244B12,HMS3654I03,HMS3674G15,1261432-00-1,1261432001,ANW-61822,ANW61822,AKOS030228495,NCGC00241108-03,NCGC0024110803,AK106979,FT-0659483,FT
0659483,Q,T1452,S1005,Axitinib,AXITINIB}

> <pdid>
PD003216

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

> <classes>
{}

> <pubchem_cids>
{3086685}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
    6.4451   -1.8434    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6017    2.9971    0.0000 O   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6061    6.0003    0.0000 C   0  0
   -2.6061    7.5003    0.0000 C   0  0
   -1.3071    8.2503    0.0000 C   0  0
   -1.3071    9.7503    0.0000 C   0  0
   -0.0080    7.5003    0.0000 C   0  0
    1.2933    8.2481    0.0000 N   0  0
    2.5920    7.4959    0.0000 C   0  0
    3.8936    8.2414    0.0000 N   0  0
    5.1901    7.4869    0.0000 C   0  0
    5.1849    5.9869    0.0000 C   0  0
    3.8833    5.2414    0.0000 C   0  0
    2.5869    5.9958    0.0000 N   0  0
    3.8782    3.7406    0.0000 C   0  0
    5.1735    2.9840    0.0000 C   0  0
    5.1659    1.4840    0.0000 C   0  0
    3.8632    0.7406    0.0000 C   0  0
    2.5679    1.4971    0.0000 N   0  0
    2.5754    2.9971    0.0000 C   0  0
   -0.0080    6.0003    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988   -1.5004    0.0000 C   0  0
   -3.8983   -0.7513    0.0000 F   0  0
   -2.5983   -3.0004    0.0000 F   0  0
   -3.8975   -2.2510    0.0000 F   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 18 32  2  0
 32 13  1  0
  9 33  2  0
 33 34  1  0
 34 35  2  0
 35  7  1  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 36 39  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13727

> <plate>
PLATE 001

> <well>
C7

> <supplier_cmpd_name>
Nilotinib

> <ctcr_id>
1905

> <supplier_cmpd_id>
T1524

> <smiles>
Cc1cn(cn1)c2cc(NC(=O)c3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)cc(c2)C(F)(F)F

> <pd_targets>
{ZAP70,DDR2,HCK,KCNH2,CA3,CA13,ABL1,BCR,STK10,NTRK2,MAPK10,RAF1,FGFR2,EPHB1,KIT,ABL2,EPHA3,TEK,CLK1,CSK,EPHA2,MAP3K20,SRC,PDGFRA,BLK,MAPK14,MAPK9,LYN,EPHB4,EPHA8,CLK4,BRAF,CA5A,CA4,JAK2,FLT3,DDR1,MAP2
K5,CA1,CA5B,CA2,CA9,CDC42BPB,FGR,PIP4K2C,MAP4K1,CSF1R,NTRK3,EPHA5,CDPK1,MAPK8,MAPK11,EPHB6,TIE1,RET,EPHA1,EPHA6,TAOK3,EPHB3,LCK,YES1,CA12,CA14,NQO2,TAOK1,CA6,MET,PDGFRB,EPHA4,FRK,CA7,CA15,EPHB2,TNNI3K
,MST1R,INSR,FYN,BMX,TYK2,FGFR1,CACNA1C,CACNA1D,CACNA1F,CACNA1S}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Unclassified protein",Kinase,"Voltage-gated ion channel",Lyase,Transferase,Oxidoreductase,"Protein Kinase","Potassium channels","Voltage-gated calcium channel","TK protein kinas
e group","Voltage-gated potassium channel","Atypical protein kinase group","STE protein kinase group","CMGC protein kinase group","TKL protein kinase group","AGC protein kinase group","Tyrosine protei
n kinase Syk family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Src family","Tyrosine protein kinase Abl family","Atypical protein kinase BCR family","STE protein kinase STE20 famil
y","Tyrosine protein kinase Trk family","CMGC protein kinase MAPK family","TKL protein kinase RAF family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase Eph family","Tyrosine protein k
inase PDGFR family","Tyrosine protein kinase Tie family","CMGC protein kinase CLK family","Tyrosine protein kinase Csk family","TKL protein kinase MLK family","Tyrosine protein kinase JakA family","ST
E protein kinase STE7 family","AGC protein kinase DMPK family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Met family","Tyrosine protein kinase InsR family","Tyrosine protein kinase 
Tec family","STE protein kinase SLK subfamily","CMGC protein kinase JNK subfamily","TKL protein kinase MLK subfamily","CMGC protein kinase p38 subfamily","AGC protein kinase GEK subfamily","STE protei
n kinase KHS subfamily","STE protein kinase TAO subfamily","TKL protein kinase HH498 subfamily","Tyrosine protein kinase SrcA"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"Catalytic receptors","Voltage-gated ion channels","Carbonic anhydrases","Kinases (EC 2.7.x.x)","Receptor kinases","Potassium channels","STE: Homologs of yeast Steril
e 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","Lipid modifying kinases","TK: Tyrosine kinase","Voltage-gated potassium
 channels","STE20 family","Mitogen-activated protein kinases (MAP kinases)","TKL: Tyrosine kinase-like","CLK family","STE7 family","DMPK family","Type II PIP kinases (1-phosphatidylinositol-5-phosphat
e 4-kinase family)","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","SLK subfamily","JNK subfamily","RAF family","Mixed Lineage Kinase (MLK) family","p38 subfamily","GEK sub
family","KHS subfamily","TAO subfamily","Syk family","Type XVI RTKs: DDR (collagen receptor) family","Src family","Abl family","Type VII RTKs: Neurotrophin receptor/Trk family","Type V RTKs: FGF (fibr
oblast growth factor) receptor family","Type XIII RTKs: Ephrin receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Csk family
","MLK subfamily","Janus kinase (JakA) family","Type XIV RTKs: RET","Type X RTKs: HGF (hepatocyte growth factor) receptor family","HH498 subfamily","Type II RTKs: Insulin receptor family","Tec family"
}

> <pathway_reactome>
{"Immune System","Extracellular matrix organization",Disease,"Muscle contraction",Metabolism,"Signal Transduction","Developmental Biology","Gene expression (Transcription)","Transport of small molecul
es","Cell Cycle","Cellular responses to external stimuli","Adaptive Immune System","Non-integrin membrane-ECM interactions","Infectious disease","Cardiac conduction","Reversible hydration of carbon di
oxide","Innate Immune System","Signaling by Receptor Tyrosine Kinases","MAPK family signaling cascades","Diseases of signal transduction by growth factor receptors and second messengers","Nervous syst
em development","RNA Polymerase II Transcription","O2/CO2 exchange in erythrocytes",Mitotic,"Cytokine Signaling in Immune system","Cellular responses to stress","Biological oxidations","Intracellular 
signaling by second messengers","Metabolism of lipids","TCR signaling","HIV Infection","Phase 3 - rapid repolarisation","Leishmania infection","Neutrophil degranulation","Signaling by NTRKs","Toll-lik
e Receptor Cascades","MAPK1/MAPK3 signaling","Signaling by FGFR in disease","Axon guidance","Signaling by KIT in disease","Oncogenic MAPK signaling","Signaling by PDGFR in disease","Generic Transcript
ion Pathway","Erythrocytes take up carbon dioxide and release oxygen","Mitotic G1 phase and G1/S transition","Signaling by Insulin receptor","Signaling by Interleukins","Cellular response to hypoxia",
"Phase I - Functionalization of compounds","M Phase","PIP3 activates AKT signaling","Signaling by MST1","Phospholipid metabolism","Interferon Signaling","Generation of second messenger molecules","Hos
t Interactions of HIV factors","Parasite infection","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","RAF/MAP kinase cascade","Signaling by FGFR2 in disease","EPH-Ephrin signaling","D
rug resistance of KIT mutants","Signaling by ROBO receptors","Signaling by RAS mutants","Drug resistance of PDGFR mutants","Transcriptional regulation by RUNX1","Leishmania parasite growth and surviva
l","G1 Phase","Insulin receptor signalling cascade","Interleukin-12 family signaling","Regulation of gene expression by Hypoxia-inducible Factor","Transcriptional Regulation by TP53","Transcriptional 
Regulation by VENTX","Signaling by NTRK3 (TRKC)","RET signaling","Mitotic Metaphase and Anaphase","Semaphorin interactions","Negative regulation of the PI3K/AKT network","PTEN Regulation","PI Metaboli
sm","Interferon alpha/beta signaling","Signaling by FGFR1 in disease","The role of Nef in HIV-1 replication and disease pathogenesis","Leishmania phagocytosis","Activation of TRKA receptors","MyD88 ca
scade initiated on plasma membrane","Negative regulation of MAPK pathway","FGFR2 mutant receptor activation","EPHB-mediated forward signaling","Dasatinib-resistant KIT mutants","Role of ABL in ROBO-SL
IT signaling","EPHA-mediated growth cone collapse","Signaling downstream of RAS mutants","Signalling to ERKs","Imatinib-resistant PDGFR mutants","RUNX1 regulates transcription of genes involved in BCR
 signaling","Anti-inflammatory response favouring Leishmania parasite infection","Cyclin D associated events in G1","IRS-mediated signalling","Signalling to ERK5","Interleukin-12 signaling","Regulatio
n of TP53 Activity","Activated NTRK3 signals through PI3K","Mitotic Anaphase","Sema4D in semaphorin signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Regulation of PTEN stability and activi
ty","Synthesis of PIPs at the plasma membrane","Regulation of IFNA signaling","FGFR1 mutant receptor activation","Nef and signal transduction","FCGR3A-mediated phagocytosis","NGF-independant TRKA acti
vation","MAP kinase activation","Negative feedback regulation of MAPK pathway","Activated point mutants of FGFR2","Signalling to RAS","FCGR3A-mediated IL10 synthesis","Prolonged ERK activation events"
,"PI3K Cascade","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","Regulation of TP53 Activity through Acetylation","Nef-mediates down modulation of cell surface rec
eptors by recruiting them to clathrin adapters","Separation of Sister Chromatids","Sema4D mediated inhibition of cell attachment and migration","Signaling by activated point mutants of FGFR1","MAPK ta
rgets/ Nuclear events mediated by MAP kinases","p38MAPK events","ARMS-mediated activation","PI5P Regulates TP53 Acetylation","Nef Mediated CD4 Down-regulation","Activation of the AP-1 family of transc
ription factors"}

> <broad_targets>
{ABL1,KIT}

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

> <synonyms>
{Nilotinib,641571-10-0,641571100,Tasigna,AMN107,"AMN 107",AMN-107,Nilotinib(AMN-107),Nilotinib(AMN107),"Nilotinib (AMN-107)","Nilotinib (AMN107)","Nilotinib free base",UNII-F41401512X,UNIIF41401512X,C
HEMBL255863,C28H22F3N7O,CHEBI:52172,Nilotinib-d6,Nilotinibd6,"641571-10-0 (free base)","641571100 (free base)",MFCD09833716,NSC747599,F41401512X,T1524,747599,S1033,"NSC 747599",nilotinib,NILOTINIB}

> <pdid>
PD003312

> <targets>
{Src-bcr-Abl,BCR-ABL,SRC}

> <classes>
{"BCR-ABL/c-kit/PDGF inhibitor"}

> <pubchem_cids>
{644241}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    4.8001  -11.0647    0.0000 C   0  0
    3.9209   -9.8493    0.0000 C   0  0
    2.4288  -10.0030    0.0000 C   0  0
    1.5496   -8.7877    0.0000 C   0  0
    2.1626   -7.4186    0.0000 C   0  0
    3.6547   -7.2649    0.0000 C   0  0
    4.5339   -8.4803    0.0000 C   0  0
    1.2830   -6.2026    0.0000 S   0  0
   -0.2091   -6.3568    0.0000 O   0  0
    0.4032   -4.9877    0.0000 O   0  0
    1.8954   -4.8324    0.0000 N   0  0
    1.0157   -3.6164    0.0000 C   0  0
   -0.4763   -3.7706    0.0000 O   0  0
    1.6281   -2.2462    0.0000 N   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -0.4623    2.7009    0.0000 C   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 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 17  1  0
 21 22  1  0
 22 15  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13728

> <plate>
PLATE 001

> <well>
C8

> <supplier_cmpd_name>
Gliclazide

> <ctcr_id>
2342

> <supplier_cmpd_id>
T1527

> <smiles>
Cc1ccc(cc1)[S](=O)(=O)NC(=O)NN2CC3CCCC3C2

> <pd_targets>
{ALDH1A1,FFP,ALD,LMNA,ABCC8,VEGFA}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Transporter,"Secreted protein",Oxidoreductase,Transferase,"Primary active transporter","ATP-binding cassette","ABCC subfamily"}

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

> <pathway_reactome>
{Metabolism,"Cell Cycle",Disease,"Gene expression (Transcription)","Biological oxidations",Mitotic,"Disorders of transmembrane transporters","RNA Polymerase II Transcription","Phase I - Functionalizat
ion of compounds","M Phase","ABC transporter disorders","Generic Transcription Pathway","Ethanol oxidation","Mitotic Metaphase and Anaphase","Defective ABCC8 can cause hypo- and hyper-glycemias","Tran
scriptional regulation by the AP-2 (TFAP2) family of transcription factors","Mitotic Anaphase","TFAP2 (AP-2) family regulates transcription of growth factors and their receptors","Nuclear Envelope (NE
) Reassembly","Initiation of Nuclear Envelope (NE) Reformation"}

> <broad_targets>
{}

> <broad_moa>
{"ATP channel blocker","insulin secretagogue"}

> <synonyms>
{RESTW55,gliclazide,21187-98-4,21187984,Glimicron,1-(3-Azabicyclo(3.3.0)oct-3-yl)-3-(p-tolylsulfonyl)urea,1(3Azabicyclo(3.3.0)oct3yl)3(ptolylsulfonyl)urea,CHEBI:31654,1-(Hexahydrocyclopenta(c)pyrrol-2
(1H)-yl)-3-(p-tolylsulfonyl)urea,1(Hexahydrocyclopenta(c)pyrrol2(1H)yl)3(ptolylsulfonyl)urea,"Gliclazidum (INN-Latin)","Gliclazidum (INNLatin)","Gliclazida (INN-Spanish)","Gliclazida (INNSpanish)",MFC
D00409893,Gliclazida,S,T1527,1504145,Prestw-558,Gliclazide,GLICLAZIDE}

> <pdid>
PD001261

> <targets>
{Potassium Channel}

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

> <pubchem_cids>
{3475}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 65 68  0  0  0  0            999 V2000
    1.9161   10.5654    0.0000 C   0  0
    3.3245   10.0492    0.0000 O   0  0
    3.5827    8.5707    0.0000 C   0  0
    2.4301    7.6108    0.0000 C   0  0
    2.6850    6.1326    0.0000 C   0  0
    4.0927    5.6144    0.0000 C   0  0
    5.2453    6.5743    0.0000 C   0  0
    4.9903    8.0525    0.0000 C   0  0
    6.1429    9.0124    0.0000 O   0  0
    1.5337    5.1698    0.0000 C   0  0
    1.7909    3.6911    0.0000 C   0  0
    3.1995    3.1753    0.0000 C   0  0
    0.6400    2.7300    0.0000 C   0  0
    0.8000    1.1200    0.0000 C   0  0
    2.0600    0.3500    0.0000 C   0  0
    1.8870   -1.1400    0.0000 O   0  0
    3.4300    0.8000    0.0000 C   0  0
    3.8662    2.2352    0.0000 C   0  0
    4.3600   -0.3900    0.0000 C   0  0
    5.8000   -0.4000    0.0000 C   0  0
    6.6151    0.8592    0.0000 C   0  0
    6.4400   -1.8000    0.0000 C   0  0
    7.9345   -1.9281    0.0000 O   0  0
    5.5100   -3.1600    0.0000 C   0  0
    4.0188   -3.2852    0.0000 O   0  0
    3.3799   -4.6424    0.0000 C   0  0
    6.5100   -4.2800    0.0000 C   0  0
    7.9504   -3.8613    0.0000 O   0  0
    6.2500   -5.8600    0.0000 C   0  0
    7.5042   -6.6827    0.0000 C   0  0
    4.8700   -6.7500    0.0000 C   0  0
    3.3400   -6.2300    0.0000 C   0  0
    2.3025   -7.3134    0.0000 C   0  0
    2.7800   -4.7900    0.0000 C   0  0
    1.1200   -4.8600    0.0000 C   0  0
    0.1200   -3.6900    0.0000 C   0  0
   -1.4100   -4.1500    0.0000 C   0  0
   -2.6300   -3.1700    0.0000 C   0  0
   -4.1200   -3.7800    0.0000 C   0  0
   -4.3154   -5.2672    0.0000 C   0  0
   -5.3700   -2.8300    0.0000 C   0  0
   -6.8600   -3.4400    0.0000 C   0  0
   -7.8600   -2.2400    0.0000 C   0  0
   -9.2500   -2.5000    0.0000 C   0  0
  -10.1800   -1.4400    0.0000 C   0  0
   -9.7100    0.0100    0.0000 C   0  0
  -10.7377    1.1027    0.0000 C   0  0
   -8.0800    0.4300    0.0000 C   0  0
   -8.4778    1.8763    0.0000 O   0  0
   -7.2300   -0.9300    0.0000 O   0  0
   -6.6100    0.8600    0.0000 C   0  0
   -5.5855   -0.2356    0.0000 O   0  0
   -6.1000    2.2500    0.0000 C   0  0
   -7.0129    3.4402    0.0000 O   0  0
   -4.5400    2.3900    0.0000 N   0  0
   -5.4800    3.8300    0.0000 C   0  0
   -4.8400    5.2900    0.0000 C   0  0
   -3.4600    5.5000    0.0000 C   0  0
   -2.6400    4.4900    0.0000 C   0  0
   -3.1200    3.1200    0.0000 C   0  0
   -1.9000    2.2900    0.0000 C   0  0
   -1.8545    0.7907    0.0000 O   0  0
   -0.7100    3.2100    0.0000 O   0  0
   -5.1674   -1.3437    0.0000 O   0  0
   -6.3526   -0.4242    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  8  9  1  0
  5 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 20 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  2  3
 35 36  1  0
 36 37  2  3
 37 38  1  0
 38 39  2  3
 39 40  1  0
 39 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 48 50  1  0
 50 43  1  0
 48 51  1  0
 51 52  2  0
 51 53  1  0
 53 54  2  0
 53 55  1  0
 55 56  1  0
 56 57  1  0
 57 58  1  0
 58 59  1  0
 59 60  1  0
 60 55  1  0
 60 61  1  0
 61 62  2  0
 61 63  1  0
 63 13  1  0
 41 64  1  0
 64 65  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13729

> <plate>
PLATE 001

> <well>
C9

> <supplier_cmpd_name>
Rapamycin

> <ctcr_id>
3116

> <supplier_cmpd_id>
T1537

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

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

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

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Nuclear hormone receptors","Peptidyl-prolyl cis/trans isomerases","Kinases (EC 2.7.x.x)","P-type ATPases","Cytochrome P450","SLC superfamily of solute carriers","ATP-b
inding cassette transporter family","1F. Retinoic acid-related orphans",Atypical,"1I. Vitamin D receptor-like receptors","P2A P-type ATPases: Ca<sup>2+</sup>-ATPases","CYP2 family: drug metabolising s
ubset","CYP3 family","SLCO family of organic anion transporting polypeptides","ABCB subfamily","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Muscle contraction","Neuronal System","Vesicle-mediated transport","Gene expression (Transcription)",Disease,"Metabolism of proteins",Hemostasis,"Immune System",Metabolism,"Cardiac conduction","Tran
smission across Chemical Synapses","Membrane Trafficking","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Post-translational prote
in modification",Translation,"Platelet homeostasis","Cytokine Signaling in Immune system","Biological oxidations","Metabolism of lipids","Abacavir transport and metabolism","Ion homeostasis","Neurotra
nsmitter receptors and postsynaptic signal transmission","trans-Golgi Network Vesicle Budding","Generic Transcription Pathway","Signaling by TGF-beta Receptor Complex in Cancer",SUMOylation,"Eukaryoti
c Translation Initiation","Platelet calcium homeostasis","Signaling by Interleukins","Phase I - Functionalization of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism 
of steroids","Abacavir transmembrane transport","Signaling by FGFR in disease","Activation of NMDA receptors and postsynaptic events","Golgi Associated Vesicle Biogenesis","Transcriptional regulation 
by RUNX3","Loss of Function of TGFBR1 in Cancer","Transcriptional Regulation by TP53","SUMO E3 ligases SUMOylate target proteins","Transcriptional Regulation by MECP2","Cap-dependent Translation Initi
ation","Reduction of cytosolic Ca++ levels","Interleukin-12 family signaling","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","Bile acid and bile salt metabolism","Si
gnaling by FGFR3 in disease","Post NMDA receptor activation events","RUNX3 Regulates Immune Response and Cell Migration","TGFBR1 LBD Mutants in Cancer","Regulation of TP53 Activity","SUMOylation of in
tracellular receptors","MECP2 regulates neuronal receptors and channels","Activation of the mRNA upon binding of the cap-binding complex and eIFs","and subsequent binding to 43S","Interleukin-12 signa
ling",Xenobiotics,"Biosynthesis of maresins","Recycling of bile acids and salts","Signaling by FGFR3 point mutants in cancer","Activation of AMPK downstream of NMDARs","Regulation of TP53 Expression a
nd Degradation","Translation initiation complex formation","Gene and protein expression by JAK-STAT signaling after Interleukin-12 stimulation","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","
FGFR3 mutant receptor activation","Regulation of TP53 Degradation","Signaling by activated point mutants of FGFR3"}

> <broad_targets>
{FKBP1A,MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{(RS)-rapamycin,(RS)rapamycin,"Rapamycin (Sirolimus)",28-epi-Rapamycin,28epiRapamycin,253431-35-5,253431355,SpecPlus_000840,SpecPlus000840,SpecPlus-000840,"SpecPlus 000840",DivK1c_006936,DivK1c006936,
DivK1c-006936,"DivK1c 006936","Rapamycin-d3 (Sirolimus-d3)","Rapamycind3 (Sirolimusd3)",CHEMBL3560003,KBio1_001880,KBio1001880,KBio1-001880,"KBio1 001880",HMS3265I15,HMS3265I16,HMS3265J15,HMS3265J16,3
92711-19-2,392711192,MCULE-7980881185,MCULE7980881185,Q27163,"EMD 553210",S1039,A-275,553210,Rapamycin(Sirolimus),Rapamycin}

> <pdid>
PD003274

> <targets>
{mTOR}

> <classes>
{}

> <pubchem_cids>
{5040}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
    3.8964    0.7545    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0  1  0  0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2121    3.8625    0.0000 C   0  0
    0.7463    5.2884    0.0000 N   0  0
   -0.7537    5.2860    0.0000 N   0  0
   -1.2149    3.8587    0.0000 C   0  0
   -1.6377    6.4987    0.0000 C   0  0
   -1.1355    7.9069    0.0000 C   0  0
   -2.1078    9.0491    0.0000 C   0  0
   -3.5831    8.7781    0.0000 N   0  0
   -4.0862    7.3650    0.0000 C   0  0
   -3.1139    6.2228    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2056   -2.9933    0.0000 C   0  0
    3.9091   -3.7478    0.0000 Cl  0  0
    6.5072   -3.7388    0.0000 C   0  0
    7.8036   -2.9844    0.0000 C   0  0
    9.1052   -3.7299    0.0000 F   0  0
    7.7985   -1.4844    0.0000 C   0  0
    6.4969   -0.7388    0.0000 C   0  0
    6.4918    0.7612    0.0000 Cl  0  0
  2  1  1  6
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 11  2  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 16  1  0
  2 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 26 28  1  0
 28 29  2  0
 29 22  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13730

> <plate>
PLATE 001

> <well>
C10

> <supplier_cmpd_name>
Crizotinib

> <ctcr_id>
5753

> <supplier_cmpd_id>
T1661

> <smiles>
C[C@@H](Oc1cc(cnc1N)c2cnn(c2)C3CCNCC3)c4c(Cl)cc(F)cc4Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NSC756645,NSC-756645,AB01273972-01,AB0127397201,756645,"NSC 756645",Crizotinib,PF-2341066}

> <pdid>
PD004074

> <targets>
{}

> <classes>
{"ALK inhibitor"}

> <pubchem_cids>
{54613769}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    7.7938   -3.0046    0.0000 C   0  0
    6.4946   -3.7543    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8919   -5.2525    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  6 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
 15 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 14  1  0
 21 22  1  0
 22 10  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13731

> <plate>
PLATE 001

> <well>
C11

> <supplier_cmpd_name>
Diosmetin

> <ctcr_id>
622

> <supplier_cmpd_id>
T1704

> <smiles>
COc1ccc(cc1O)C2=CC(=O)c3c(O)cc(O)cc3O2

> <pd_targets>
{CYP1B1,CYP1A1,CYP1A2,IPMK,AURKB,ABCC1,MAPK14,KDM1A,MAPK10,IP6K2}

> <pathway_gtopdb>
{Enzyme,Transporter,"Epigenetic regulator","Cytochrome P450",Transferase,Kinase,"Primary active transporter",Eraser,"Cytochrome P450 family 1","Protein Kinase","ATP-binding cassette","Lysine demethyla
se","Cytochrome P450 family 1B","Cytochrome P450 family 1A","Other protein kinase group","ABCC subfamily","CMGC protein kinase group","Lysine-specific demethylase","Cytochrome P450 1B1","Cytochrome P4
50 1A1","Other protein kinase AUR family","CMGC protein kinase MAPK family","CMGC protein kinase p38 subfamily","CMGC protein kinase JNK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Cytochrome P450","Catalytic receptors","ATP-binding cassette transporter family","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","CYP1 family","Receptor kinases",
"ABCC subfamily","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1.14.11.- Histone demethylases","Other protein kinases","Mitogen-activated protein kinases (MAP kinases)","Aurora kinase (Aur) family"
,"p38 subfamily","JNK subfamily"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Immune System","Signal Transduction","Biological oxidations","Inositol phosphate metabolism",Mitotic,"Metabolism of lipids","Innate Immune System","Intracellular signaling by
 second messengers","Cytokine Signaling in Immune system","Phase I - Functionalization of compounds","Synthesis of IPs in the nucleus","M Phase","Fatty acid metabolism","Toll-like Receptor Cascades","
PIP3 activates AKT signaling","Interferon Signaling","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","Arachidonic acid metabolism","Toll Like Receptor 5 (TLR5) Cascade"
,"PTEN Regulation","Interferon alpha/beta signaling","Endogenous sterols",Xenobiotics,"Mitotic Anaphase","Synthesis of Leukotrienes (LT) and Eoxins (EX)","MyD88 cascade initiated on plasma membrane","
Regulation of PTEN gene transcription","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Separation of Sister Chromatids","MAP kinase activation","MAPK targets/ Nuclear events mediat
ed by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{CYP1B1}

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

> <synonyms>
{Diosmetin,520-34-3,520343,"Luteolin 4'-methyl ether","Luteolin 4'methyl ether","5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one","5,7dihydroxy2(3hydroxy4methoxyphenyl)4Hchromen4one",Sali
nigricoflavonol,4'-Methylluteolin,4'Methylluteolin,"3',5,7-trihydroxy-4'-methoxyflavone","3',5,7trihydroxy4'methoxyflavone","5,7,3'-Trihydroxy-4'-methoxyflavone","5,7,3'Trihydroxy4'methoxyflavone",5,7
-Dihydroxy-2-(3-hy,7Dihydroxy2(3hy,T1704,1504068,DIOSMETIN}

> <pdid>
PD010735

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5281612}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 33  0  0  0  0            999 V2000
    7.7858   -9.1806    0.0000 N   0  0
    6.3110   -8.9071    0.0000 C   0  0
    5.3370  -10.0479    0.0000 O   0  0
    5.8106   -7.4921    0.0000 C   0  0
    6.7829   -6.3499    0.0000 C   0  0
    6.2798   -4.9368    0.0000 C   0  0
    4.8092   -4.6676    0.0000 C   0  0
    3.8322   -5.8080    0.0000 C   0  0
    4.3352   -7.2212    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.7171    0.9385    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 12 19  2  0
 19 20  1  0
 20 10  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 24  1  0
 28 29  2  0
 29 21  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13732

> <plate>
PLATE 001

> <well>
D2

> <supplier_cmpd_name>
SB 431542

> <ctcr_id>
284

> <supplier_cmpd_id>
T1726

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

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

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

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

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

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD003368

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

> <classes>
{}

> <pubchem_cids>
{4521392}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    6.4924   -3.7566    0.0000 O   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 11  1  0
 18 19  1  0
 19  8  1  0
 19 20  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13733

> <plate>
PLATE 001

> <well>
D3

> <supplier_cmpd_name>
Genistein

> <ctcr_id>
2985

> <supplier_cmpd_id>
T1737

> <smiles>
Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O

> <pd_targets>
{ALDH1A1,TSHR,SMN1,PMP22,MAPT,CYP2C19,ALOX15,AKR1B1,SLC2A1,MAOA,ESR2,XDH,PYK,MAPK1,NPC1,ESR1,MAL32,EGFR,ABL1,MGAM,ADORA2A,ADORA1,ESRRA,PTGS1,HPGD,TP53,CYP1A2,HSD17B3,HSD17B2,POL,MAOB,MAPK14,DPP3,SRC,N
A,ESRRB,LMNA,SYK,CYP3A4,AOX1,PFMRK,AR,CFTR,ABCB1,KMT2A,MEN1,RAB9A,HIF1A,LEF,THPO,PSMB5,ODC1,DAPK1,NANH,FABZ,TDP1,SHBG,DPP4,FTL,PKM,PRKCA,POLB,RORC,SLCO1B1,DNMT1,CACNA1C,NR1H2,CYP19A1,ABCG2,SLC2A4,NR1H
3,HTR2A,SLC6A3,SLCO1B3,BMX,HSD17B1,HTR2C,TBXAS1,STAT3,FYN,TRPC5,ESRRG}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Epigenetic regulator","Unclassified protein","Other cytosolic protein",Transporter,"Transcription factor","Other nuclear protein","Ion channel","Secreted protein",Oxidored
uctase,"Family A G protein-coupled receptor",Reader,"Cytochrome P450",Protease,"Electrochemical transporter","Nuclear receptor",Transferase,Kinase,Hydrolase,"Other ion channel","Primary active transpo
rter",Lyase,Writer,"Voltage-gated ion channel","Peptide receptor (family A GPCR)","Methyl-lysine/arginine binding protein","Cytochrome P450 family 2","Cysteine protease","SLC superfamily of solute car
riers","Nuclear hormone receptor subfamily 3","Protein Kinase","Small molecule receptor (family A GPCR)","Cytochrome P450 family 1","Metallo protease","Cytochrome P450 family 3","Chloride channel","AT
P-binding cassette",Bromodomain,"Threonine protease","Serine protease","Nuclear hormone receptor subfamily 1","DNA methyltransferase","Voltage-gated calcium channel","Cytochrome P450 family 19","Cytoc
hrome P450 family 5","Transient receptor potential channel","Glycohormone receptor","Tudor domain","Cytochrome P450 family 2C","Cysteine protease CA clan","SLC02 family of hexose and sugar alcohol tra
nsporters","Nuclear hormone receptor subfamily 3 group A","CMGC protein kinase group","TK protein kinase group","Nucleotide-like receptor (family A GPCR)","Nuclear hormone receptor subfamily 3 group B
","Cytochrome P450 family 1A","Metallo protease MAE clan","Cytochrome P450 family 3A","Nuclear hormone receptor subfamily 3 group C","Cystic fibrosis transmembrane conductance regulator","ABCB subfami
ly","Threonine protease PBT clan","CAMK protein kinase group","Serine protease SC clan","AGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","SLC21/SLCO family of organic anion tr
ansporting polypeptides","Nuclear hormone receptor subfamily 1 group H","Cytochrome P450 family 19A","ABCG subfamily","Monoamine receptor","SLC06 neurotransmitter transporter family","Cytochrome P450 
family 5A","Cytochrome P450 2C19","Cysteine protease C1A family","Nuclear hormone receptor subfamily 3 group A member 2","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 3 group A
 member 1","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Abl family","Adenosine receptor","Nuclear hormone receptor subfamily 3 group B member 1","Cytochrome P450 1A1","Metallo protea
se M49 family","Tyrosine protein kinase Src family","Nuclear hormone receptor subfamily 3 group B member 2","Tyrosine protein kinase Syk family","Cytochrome P450 3A4","CMGC protein kinase CDK family",
"Nuclear hormone receptor subfamily 3 group C member 4","Metallo protease M34 family","Threonine protease T1A subfamily","CAMK protein kinase DAPK family","Serine protease S9B subfamily","AGC protein 
kinase PKC family","Nuclear hormone receptor subfamily 1 group F member 3","Nuclear hormone receptor subfamily 1 group H member 3","Cytochrome P450 19A1","Serotonin receptor","Tyrosine protein kinase 
Tec family","Cytochrome P450 5A1","Nuclear hormone receptor subfamily 3 group B member 3","CMGC protein kinase ERK1","CMGC protein kinase p38 subfamily","AGC protein kinase PKC alpha subfamily","Tyros
ine protein kinase SrcA"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Ion channels","Other protein targets","G protein-coupled receptors","Cytochrome P450","Eicosanoid turnover","1.-.-.- Oxidoreductases","SLC superfamily of solute carrie
rs","Catecholamine turnover","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Catalytic receptors","3.2.1.- Glycosidases","Peptidases and proteinases","Other ion channels","ATP-binding cassette tra
nsporter family","Carboxylases and decarboxylases","2.7.1.40 Pyruvate kinases","2.1.1.- Methyltransferases","Voltage-gated ion channels","Transcription factors","Glycoprotein hormone receptors","CYP2 
family: drug metabolising subset",Lipoxygenases,"SLC2 family of hexose and sugar alcohol transporters","Steroid hormone receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLC65 NPC-type chole
sterol transporters","Receptor kinases","Adenosine receptors","3B. Estrogen-related receptors",Cyclooxygenase,"Prostaglandin synthases","CYP1 family","MA: Metallo (M) Peptidases","CYP3 family","Chlori
de channels","ABCB subfamily","PB: Threonine (T) Peptidases",Decarboxylases,"CAMK: Calcium/calmodulin-dependent protein kinases","SC: Serine (S) Peptidases","AGC: Containing PKA",PKG,"PKC families","1
F. Retinoic acid-related orphans","SLCO family of organic anion transporting polypeptides","Voltage-gated calcium channels","1H. Liver X receptor-like receptors",CYP11,CYP17,CYP19,"CYP20 and CYP21 fam
ilies","ABCG subfamily","5-Hydroxytryptamine receptors","SLC6 neurotransmitter transporter family",CYP5,"CYP7 and CYP8 families","STAT transcription factors","Transient Receptor Potential channels","C
lass I transporters","3A. Estrogen receptors","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","M49: Dipeptidyl-peptidase III","3C. 3-Ketosteroid receptors",CFTR,"T1: Proteasome
","Death-associated kinase (DAPK) family","S9: Prolyl oligopeptidase","Protein kinase C (PKC) family","Monoamine transporter subfamily","ERK subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor
 tyrosine kinases (nRTKs)","p38 subfamily","Delta subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Abl family","Src family","Syk family","Tec family"}

> <pathway_reactome>
{Metabolism,Disease,"Metabolism of RNA","Developmental Biology","Neuronal System","Signal Transduction","Immune System","Transport of small molecules","Gene expression (Transcription)","Digestion and 
absorption","Cell Cycle",Autophagy,"Cellular responses to external stimuli",Hemostasis,"Programmed Cell Death","DNA Repair","Metabolism of proteins","Vesicle-mediated transport","Biological oxidations
","Infectious disease","Metabolism of non-coding RNA","Nervous system development","Transmission across Chemical Synapses","Metabolism of lipids","Disorders of transmembrane transporters","Intracellul
ar signaling by second messengers","Metabolism of nucleotides","Innate Immune System","Plasma lipoprotein assembly",remodeling,"and clearance","RNA Polymerase II Transcription","Signaling by GPCR",Dig
estion,"Cell Cycle Checkpoints","Signaling by Receptor Tyrosine Kinases",Mitotic,"Metabolism of vitamins and cofactors",Macroautophagy,"Abacavir transport and metabolism","Signaling by Rho GTPases","C
ellular responses to stress","Platelet activation","signaling and aggregation","Metabolism of amino acids and derivatives",Apoptosis,"DNA Double-Strand Break Repair","Peptide hormone metabolism","Memb
rane Trafficking","Metabolism of carbohydrates","Base Excision Repair","Post-translational protein modification","SLC-mediated transmembrane transport","Diseases of signal transduction by growth facto
r receptors and second messengers","Phase I - Functionalization of compounds","Leishmania infection","snRNP Assembly","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Neurotransmitter
 receptors and postsynaptic signal transmission","Biosynthesis of specialized proresolving mediators (SPMs)","Metabolism of steroids","SLC transporter disorders","PIP3 activates AKT signaling","Nucleo
base catabolism","Toll-like Receptor Cascades","Plasma lipoprotein clearance","Generic Transcription Pathway","GPCR downstream signalling","Digestion of dietary carbohydrate","GPCR ligand binding","Fa
tty acid metabolism","G1/S DNA Damage Checkpoints","Signaling by NTRKs","Influenza Infection","M Phase","Metabolism of water-soluble vitamins and cofactors","Selective autophagy","Abacavir transmembra
ne transport","Rho GTPase cycle","Cellular response to hypoxia","Uptake and actions of bacterial toxins","Platelet Aggregation (Plug Formation)","Regulation of mitotic cell cycle","Metabolism of polya
mines","Caspase activation via extrinsic apoptotic signalling pathway","Nonhomologous End-Joining (NHEJ)","Incretin synthesis",secretion,"and inactivation","trans-Golgi Network Vesicle Budding","Gluco
se metabolism","Resolution of Abasic Sites (AP sites)",SUMOylation,"Axon guidance","Cellular hexose transport","Phospholipid metabolism","Signaling by FGFR in disease","HIV Infection","Ethanol oxidati
on","Leishmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","Cytochrome P450 - arranged by substrate type","Biosynthesis of DPA-derived SPMs","Metabolism of st
eroid hormones","Defective SLC2A1 causes GLUT1 deficiency syndrome 1 (GLUT1DS1)","Amine Oxidase reactions","Negative regulation of the PI3K/AKT network","Purine catabolism","Toll Like Receptor 5 (TLR5
) Cascade","LDL clearance","Transcriptional regulation by RUNX1","G alpha (q) signalling events","Parasite infection","Class A/1 (Rhodopsin-like receptors)","Transcriptional regulation by RUNX2","Arac
hidonic acid metabolism","Biosynthesis of DHA-derived SPMs","p53-Dependent G1/S DNA damage checkpoint","Fatty acyl-CoA biosynthesis","Signaling by NTRK1 (TRKA)","Virus Assembly and Release","Nuclear R
eceptor transcription pathway","Mitotic Metaphase and Anaphase","Vitamins B6 activation to pyridoxal phosphate",Aggrephagy,"RHOBTB GTPase Cycle","Oxygen-dependent proline hydroxylation of Hypoxia-indu
cible Factor Alpha","Uptake and function of anthrax toxins","APC/C-mediated degradation of cell cycle proteins","Regulation of ornithine decarboxylase (ODC)","Caspase activation via Dependence Recepto
rs in the absence of ligand",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GLP-1)","Golgi Associated Vesicle Biogenesis",Glycolysis,"G alpha (i) signalling events","Resolution of AP sites vi
a the multiple-nucleotide patch replacement pathway","Transcriptional regulation by RUNX3","Bile acid and bile salt metabolism","SUMO E3 ligases SUMOylate target proteins","NCAM signaling for neurite 
out-growth","Defective SLC6A3 causes Parkinsonism-dystonia infantile (PKDYS)","PI Metabolism","Signaling by FGFR1 in disease","Host Interactions of HIV factors","Netrin-1 signaling","Anti-inflammatory
 response favouring Leishmania parasite infection","Post NMDA receptor activation events",Xenobiotics,"Biosynthesis of DPAn-3 SPMs","Pregnenolone biosynthesis","Biogenic amines are oxidatively deamina
ted to aldehydes by MAOA and MAOB",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","MyD88 cascade initiated on plasma membrane","RUNX1 regulates estrogen receptor mediated transcription","Gastrin-CRE
B signalling pathway via PKC and MAPK","Leishmania phagocytosis","Nucleotide-like (purinergic) receptors","Regulation of RUNX2 expression and activity","Synthesis of Prostaglandins (PG) and Thromboxan
es (TX)","Biosynthesis of D-series resolvins","p53-Dependent G1 DNA Damage Response","Synthesis of very long-chain fatty acyl-CoAs","Estrogen biosynthesis","Signalling to ERKs","Assembly of Viral Comp
onents at the Budding Site","Mitotic Anaphase","Biosynthesis of maresins","RUNX2 regulates bone development","RHOBTB3 ATPase cycle","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic
 proteins","Visual phototransduction","PCNA-Dependent Long Patch Base Excision Repair","RUNX3 Regulates Immune Response and Cell Migration","Recycling of bile acids and salts","SUMOylation of DNA meth
ylation proteins","NCAM1 interactions","SUMOylation of intracellular receptors","Endogenous sterols","Amine ligand-binding receptors","Synthesis of PIPs at the plasma membrane",Eicosanoids,"FGFR1 muta
nt receptor activation","The role of Nef in HIV-1 replication and disease pathogenesis","Role of second messengers in netrin-1 signaling","ADORA2B mediated anti-inflammatory cytokines production","Act
ivation of AMPK downstream of NMDARs","CYP2E1 reactions","Biosynthesis of DPAn-3-derived protectins and resolvins","MAP kinase activation","EGFR Transactivation by Gastrin","FCGR3A-mediated phagocytos
is","Adenosine P1 receptors","Stabilization of p53","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Signalling to RAS","Transport of HA trimer","NA tetramer and M2 tetramer from th
e endoplasmic reticulum to the Golgi Apparatus","Nuclear Envelope (NE) Reassembly","FCGR3A-mediated IL10 synthesis","Biosynthesis of maresin-like SPMs","RUNX2 regulates osteoblast differentiation","AP
C/C:Cdc20 mediated degradation of mitotic proteins","The phototransduction cascade","Serotonin receptors","The canonical retinoid cycle in rods (twilight vision)","Signaling by cytosolic FGFR1 fusion 
mutants","Nef and signal transduction","MAPK targets/ Nuclear events mediated by MAP kinases","Autodegradation of the E3 ubiquitin ligase COP1","p38MAPK events","Initiation of Nuclear Envelope (NE) Re
formation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint",Inactivation,"recovery and regulation of the phototransduction cascade","ERK/MAPK t
argets","Activation of the AP-1 family of transcription factors","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERKs are inactivated"}

> <broad_targets>
{CFTR,ESR1,ESR2,ESRRA,ESRRB,ESRRG,NCOA1,NCOA2,PPARG,PTK2B,TOP2A,TRPC5}

> <broad_moa>
{"tyrosine kinase inhibitor"}

> <synonyms>
{genistein,446-72-0,446720,Prunetol,"4',5,7-Trihydroxyisoflavone","4',5,7Trihydroxyisoflavone",Genisterin,Genisteol,Sophoricol,"5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one","5,7dihydroxy3(4hydr
oxyphenyl)4Hchromen4one","5,7,4'-Trihydroxyisoflavone","5,7,4'Trihydroxyisoflavone",Bonistein,"Differenol A",5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one,7dihydroxy3(4hydroxyphenyl)chromen4one,T1737
,NSC36586,1110,210296,EI-147,"NSC 36586",Genistein,GENISTEIN}

> <pdid>
PD002146

> <targets>
{EGFR,"Tyrosine Kinases",Apoptosis,Autophagy,"Endogenous Metabolite"}

> <classes>
{Apoptosis,Autophagy,JAK/STAT Signaling,Metabolic Enzyme/Protease,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{5280961}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    8.1022    2.6072    0.0000 C   0  0
    7.3541    1.3071    0.0000 O   0  0
    5.8532    1.3040    0.0000 C   0  0
    5.1009    2.6017    0.0000 O   0  0
    5.1047    0.0031    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2526    1.3618    0.0000 C   0  0
   -6.2524    0.2436    0.0000 C   0  0
   -5.4979   -1.0529    0.0000 C   0  0
   -4.0317   -0.7359    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  6  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  8  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 17  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13734

> <plate>
PLATE 001

> <well>
D4

> <supplier_cmpd_name>
Nocodazole

> <ctcr_id>
11111

> <supplier_cmpd_id>
T2802

> <smiles>
COC(=O)Nc1nc2c([nH]1)cc(cc2)C(=O)c1cccs1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{HPGDS}

> <broad_moa>
{"tubulin polymerization inhibitor"}

> <synonyms>
{nocodazole,31430-18-9,31430189,Oncodazole,"R 17934",Nocodazolum,Nocodazol,"NSC 238159","R 17,934",C14H11N3O3S,"Methyl N-(6-(thiophene-2-carbonyl)-1H-benzimidazol-2-yl)carbamate","Methyl N(6(thiophene
2carbonyl)1Hbenzimidazol2yl)carbamate","methyl (5-(thiophene-2-carbonyl)-1H-benzo(d)imidazol-2-yl)carbamate","methyl (5(thiophene2carbonyl)1Hbenzo(d)imidazol2yl)carbamate",UNII-,UNII,T2802,Nocodazole}

> <pdid>

> <targets>
{Abl,"Abl (E255K)","Abl (T315I)",microtubule}

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

> <pubchem_cids>
{4122}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    4.8039  -10.9120    0.0000 O   0  5
    4.0561   -9.6117    0.0000 N   0  3
    2.5561   -9.6096    0.0000 O   0  0
    4.8091   -8.3134    0.0000 C   0  0
    6.3091   -8.3134    0.0000 C   0  0
    7.0591   -7.0143    0.0000 C   0  0
    6.3090   -5.7153    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0
    4.0591   -7.0144    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    4.8036   -3.1167    0.0000 O   0  0
    2.5551   -4.4192    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 N   0  0
   -0.7624   -8.0525    0.0000 C   0  0
   -1.7662   -9.1671    0.0000 C   0  0
   -3.2334   -8.8550    0.0000 O   0  0
   -3.6967   -7.4283    0.0000 C   0  0
   -2.6928   -6.3138    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  8 10  1  0
 10 11  2  0
 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 19  1  0
 19 20  2  0
 20 15  1  0
 20 21  1  0
 21 13  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
M  CHG  2   1  -1   2   1
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13735

> <plate>
PLATE 001

> <well>
D5

> <supplier_cmpd_name>
IRAK-1/4 Inhibitor

> <ctcr_id>
3589

> <supplier_cmpd_id>
T2457

> <smiles>
[O-][N+](=O)c1cccc(c1)C(=O)Nc2nc3ccccc3n2CCN4CCOCC4

> <pd_targets>
{IRAK4,IRAK1,MTOR}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","Atypical protein kinase group","TKL protein kinase IRAK family","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamil
y"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases",Atypical,"TKL: Tyrosine kinase-like","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Interleukin-1 r
eceptor-associated kinase (IRAK) family","FRAP subfamily"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)","Innate Immune System","RNA Polymerase II Transcription","Toll-like Receptor Cascades","Generic Transcription Pathway","Toll Like Receptor 2 (TLR2) C
ascade","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional Regulation by TP53","Toll Like Receptor TLR6:TLR2 Cascade","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity","My
D88:MAL(TIRAP) cascade initiated on plasma membrane","MAP kinase activation","Regulation of TP53 Expression and Degradation","activated TAK1 mediates p38 MAPK activation","Regulation of TP53 Degradati
on"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"RAK14 INHIBITOR","IRAK-1-4 Inhibitor I","IRAK14 Inhibitor I",509093-47-4,509093474,"IRAK-1/4 Inhibitor","IRAK1/4 Inhibitor","IRAK-1/4 Inhibitor I","IRAK1/4 Inhibitor I","Interleukin-1 Receptor-Assoc
iated-Kinase-1/4 Inhibitor","Interleukin1 ReceptorAssociatedKinase1/4 Inhibitor",N-(1-(2-morpholin-4-ylethyl)benzimidazol-2-yl)-3-nitrobenzamide,N(1(2morpholin4ylethyl)benzimidazol2yl)3nitrobenzamide,
CHEMBL379787,N-(1-(2-(4-morpholin,N(1(2(4morpholin,T2457,"EMD 407601",407601}

> <pdid>
PD002676

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{11983295}

$$$$
TargetMol_L2200_Tyrosine kinase 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
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -7.7876   -1.5212    0.0000 C   0  0
   -9.0905   -0.7779    0.0000 O   0  0
   -7.7802   -3.0220    0.0000 N   0  0
   -9.0758   -3.7796    0.0000 C   0  0
   -9.0707   -5.2796    0.0000 C   0  0
  -10.3671   -6.0341    0.0000 C   0  0
  -11.6687   -5.2886    0.0000 C   0  0
  -12.9652   -6.0432    0.0000 C   0  0
  -11.6740   -3.7886    0.0000 C   0  0
  -12.9748   -3.0401    0.0000 N   0  0
  -12.9779   -1.5393    0.0000 C   0  0
  -14.2769   -0.7892    0.0000 N   0  0
  -14.2770    0.7108    0.0000 C   0  0
  -12.9780    1.4608    0.0000 C   0  0
  -11.6789    0.7109    0.0000 C   0  0
  -11.6789   -0.7891    0.0000 N   0  0
  -10.3792    1.4613    0.0000 C   0  0
  -10.3768    2.9613    0.0000 C   0  0
   -9.0766    3.7093    0.0000 C   0  0
   -7.7787    2.9573    0.0000 C   0  0
   -7.7811    1.4573    0.0000 N   0  0
   -9.0813    0.7093    0.0000 C   0  0
  -10.3776   -3.0341    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
 23 37  2  0
 37 18  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13736

> <plate>
PLATE 001

> <well>
D6

> <supplier_cmpd_name>
Imatinib Mesylate

> <ctcr_id>
1820

> <supplier_cmpd_id>
T1621

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

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

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

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

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

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

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

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

> <pdid>
PD001319

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

> <classes>
{"Tyrosine kinase inhibitor"}

> <pubchem_cids>
{5291}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 N   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -7.7942    1.4999    0.0000 N   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -7.7934   -1.5031    0.0000 C   0  0
   -9.0937   -0.7554    0.0000 O   0  0
   -7.7912   -3.0031    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  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
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18  7  1  0
 18 19  2  0
 19  4  1  0
 13 20  1  0
 20 21  1  0
 20 22  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13737

> <plate>
PLATE 001

> <well>
D7

> <supplier_cmpd_name>
Amlexanox

> <ctcr_id>
533

> <supplier_cmpd_id>
T1639

> <smiles>
CC(C)c1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(O)=O

> <pd_targets>
{KDM4E,PYK,RORC,TBK1,IKBKE,GAA,PKM,RAB9A,ALD,NPC1,GPR35,ABCC4,PDE4A,PDE4B,PDE4C,PDE4D,S100A12,S100A13,IL3,FGF1}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Transcription factor",Transporter,"Membrane receptor","Secreted protein",Eraser,Transferase,"Nuclear receptor",Kinase,Hydrolase,"Family A G protein-coupled receptor","P
rimary active transporter",Phosphodiesterase,"Lysine demethylase","Nuclear hormone receptor subfamily 1","Protein Kinase","Small molecule receptor (family A GPCR)","ATP-binding cassette","Phosphodiest
erase 4","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","Other protein kinase group","Carboxylic acid receptor","ABCC subfamily","Phosphodiesterase 4A","Nuclear hormone rec
eptor subfamily 1 group F member 3","Other protein kinase IKK family","Kynurenic acid receptor"}

> <pathway_chembl>
{Enzymes,Receptors,Transporters,"Chromatin modifying enzymes","Nuclear hormone receptors","Catalytic receptors","3.2.1.- Glycosidases","2.7.1.40 Pyruvate kinases","SLC superfamily of solute carriers",
"G protein-coupled receptors","ATP-binding cassette transporter family","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","Receptor kinases","SLC65 NPC-type cholesterol transporters
","Orphan and other 7TM receptors","ABCC subfamily","Other protein kinases","Class A Orphans","IKK family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System",Disease,Metabolism,"Signal Transduction","Transport of small molecules",Hemostasis,"RNA Polymerase II Transcription","Innate Immune System","Diseases
 of metabolism","Metabolism of carbohydrates","Signaling by Rho GTPases","Plasma lipoprotein assembly",remodeling,"and clearance","Signaling by GPCR","Platelet activation","signaling and aggregation",
"Diseases of signal transduction by growth factor receptors and second messengers","Generic Transcription Pathway","Toll-like Receptor Cascades","Diseases of carbohydrate metabolism","Glucose metaboli
sm","Rho GTPase cycle","Plasma lipoprotein clearance","GPCR ligand binding","Response to elevated platelet cytosolic Ca2+","Signaling by FGFR in disease","Transcriptional regulation by RUNX3","Toll Li
ke Receptor 4 (TLR4) Cascade","Glycogen storage diseases",Glycolysis,"RHOBTB GTPase Cycle","LDL clearance","Class A/1 (Rhodopsin-like receptors)","Platelet degranulation","Toll Like Receptor 5 (TLR5) 
Cascade","Transcriptional regulation by RUNX1","Signaling by FGFR3 in disease","RUNX3 Regulates Immune Response and Cell Migration","MyD88-independent TLR4 cascade","Glycogen storage disease type II (
GAA)","RHOBTB3 ATPase cycle","MyD88 cascade initiated on plasma membrane","RUNX1 regulates transcription of genes involved in interleukin signaling","Signaling by FGFR3 point mutants in cancer","TRIF(
TICAM1)-mediated TLR4 signaling","TAK1 activates NFkB by phosphorylation and activation of IKKs complex","FGFR3 mutant receptor activation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Sign
aling by activated point mutants of FGFR3"}

> <broad_targets>
{FGF1,IL3,PDE4A,PDE4B,PDE4C,PDE4D,S100A12,S100A13}

> <broad_moa>
{"histamine receptor modulator"}

> <synonyms>
{amlexanox,68302-57-8,68302578,Amoxanox,Aphthasol,"2-Amino-7-isopropyl-5-oxo-5H-chromeno(2,3-b)pyridine-3-carboxylic acid","2Amino7isopropyl5oxo5Hchromeno(2,3b)pyridine3carboxylic acid",Amlenanox,"Aml
exanoxum (Latin)",AA-673,AA673,"Amlexanoxo (Spanish)",Amlexanoxo,Amlexanoxum,"CHX 3673","AA 673",CHX-3673,CHX3673,UNII-BRL1C2459K,UNIIBRL1C2459K,2,T1639,SAM001246669,Amlexanox,CPD000466352}

> <pdid>
PD001296

> <targets>
{"Immunology & Inflammation related",IKK}

> <classes>
{NF-ºB}

> <pubchem_cids>
{2161}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 22 25  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.5981   -3.0008    0.0000 C   0  0
   -1.3859   -3.8625    0.0000 C   0  0
   -1.8517   -5.2884    0.0000 N   0  0
   -3.3517   -5.2860    0.0000 N   0  0
   -3.8130   -3.8587    0.0000 C   0  0
    0.0394   -3.3926    0.0000 C   0  0
    0.4581   -1.9577    0.0000 C   0  0
    1.9155   -1.6025    0.0000 C   0  0
    2.9517   -2.6871    0.0000 C   0  0
    2.5306   -4.1267    0.0000 C   0  0
    1.0732   -4.4819    0.0000 N   0  0
    3.5668   -5.2113    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  4  1  0
  7 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 11  2  0
 12 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 20 22  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13738

> <plate>
PLATE 001

> <well>
D8

> <supplier_cmpd_name>
A77-01

> <ctcr_id>
11885

> <supplier_cmpd_id>
T2098

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

> <pd_targets>
{TGFBR1,MAPK14}

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

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

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

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD012172

> <targets>
{ALK5}

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

> <pubchem_cids>
{10469233}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 36 41  0  0  0  0            999 V2000
    5.1852    3.0091    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
    3.8990   -0.7455    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.3021   -5.2508    0.0000 N   0  0
   -2.6029   -5.9994    0.0000 C   0  0
   -2.7459   -7.4798    0.0000 N   0  0
   -4.2142   -7.7865    0.0000 C   0  0
   -4.9597   -6.4849    0.0000 C   0  0
   -3.9522   -5.3737    0.0000 O   0  0
   -3.3186   -8.9898    0.0000 C   0  0
   -5.7086   -7.9160    0.0000 C   0  0
    7.7907    1.5158    0.0000 O   0  0
    9.0920    0.7680    0.0000 C   0  0
   10.3911    1.5180    0.0000 C   0  0
   11.6901    0.7680    0.0000 C   0  0
   13.1158    1.2315    0.0000 N   0  0
   13.9975    0.0179    0.0000 C   0  0
   13.1158   -1.1956    0.0000 N   0  0
   11.6901   -0.7320    0.0000 N   0  0
   10.3911   -1.4820    0.0000 C   0  0
    9.0920   -0.7320    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
 22 25  1  0
 22 26  1  0
  3 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 30  1  0
 34 35  1  0
 35 36  2  0
 36 28  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13739

> <plate>
PLATE 001

> <well>
D9

> <supplier_cmpd_name>
Irbinitinib

> <ctcr_id>
11518

> <supplier_cmpd_id>
T2364

> <smiles>
Cc1c(ccc(c1)Nc1ncnc2c1cc(cc2)NC1=NC(CO1)(C)C)Oc1cc2ncnn2cc1

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

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Neuronal System","Developmental Biology","Signaling by GPCR","Transmission across Chemical Synapses","Nervous system development","Intracellular signaling by second messengers"
,"GPCR downstream signalling","Neurotransmitter receptors and postsynaptic signal transmission","Axon guidance","PIP3 activates AKT signaling","G alpha (q) signalling events","Activation of NMDA recep
tors and postsynaptic events","Semaphorin interactions","Negative regulation of the PI3K/AKT network","Gastrin-CREB signalling pathway via PKC and MAPK","Post NMDA receptor activation events","Sema4D 
in semaphorin signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","EGFR Transactivation by Gastrin","Long-term potentiation","Sema4D induced cell migration and growth-cone collapse"}

> <broad_targets>
{ERBB2}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{"Tukysa (TN)",Irbinitinib,Tucatinib,937263-43-9,937263439,ONT-380,ONT380,6-DIAMINE,6DIAMINE,UNII-234248D0HH,UNII234248D0HH,234248D0HH,"Irbinitinib; ARRY-380; ONT-380","Irbinitinib; ARRY380; ONT380",I
rbitinib,Tukysa,"ONT 380",ONT-380;Tucatinib,ONT380;Tucatinib,"Tucatinib (USAN/INN)","Tucatinib (USAN:INN)",Irbinitinib(ARRY-380),Irbinitinib(ARRY380),Irb,T2364}

> <pdid>
PD056028

> <targets>
{HER2,EGFR,HER2/ErbB2,"p95 HER2"}

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

> <pubchem_cids>
{51039094}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13740

> <plate>
PLATE 001

> <well>
D10

> <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_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
  -14.8054    1.5994    0.0000 C   0  0
  -14.3471    0.1711    0.0000 N   0  0
  -15.3549   -0.9399    0.0000 C   0  0
  -14.8966   -2.3682    0.0000 C   0  0
  -13.4306   -2.6856    0.0000 N   0  0
  -12.9691   -4.1137    0.0000 C   0  0
  -11.5018   -4.4291    0.0000 C   0  0
  -10.4979   -3.3146    0.0000 C   0  0
   -9.0307   -3.6268    0.0000 C   0  0
   -8.5674   -5.0535    0.0000 C   0  0
   -7.1001   -5.3688    0.0000 N   0  0
   -6.6386   -6.7970    0.0000 C   0  0
   -7.6445   -7.9097    0.0000 O   0  0
   -5.1713   -7.1123    0.0000 C   0  0
   -4.7081   -8.5390    0.0000 C   0  0
   -3.2409   -8.8512    0.0000 C   0  0
   -2.2370   -7.7366    0.0000 C   0  0
   -0.7698   -8.0488    0.0000 C   0  0
   -2.7002   -6.3100    0.0000 C   0  0
   -4.1674   -5.9978    0.0000 C   0  0
   -1.6958   -5.1948    0.0000 C   0  0
   -0.6913   -4.0797    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -9.5715   -6.1680    0.0000 C   0  0
  -11.0386   -5.8558    0.0000 C   0  0
  -12.0431   -6.9709    0.0000 C   0  0
  -11.5808   -8.3979    0.0000 F   0  0
  -13.5102   -6.6582    0.0000 F   0  0
  -13.0476   -8.0849    0.0000 F   0  0
  -12.4228   -1.5745    0.0000 C   0  0
  -12.8811   -0.1462    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 14  1  0
 19 21  1  0
 21 22  3  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 23  1  0
 31 26  1  0
 10 32  1  0
 32 33  2  0
 33  7  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 34 37  1  0
  5 38  1  0
 38 39  1  0
 39  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13741

> <plate>
PLATE 001

> <well>
D11

> <supplier_cmpd_name>
Ponatinib

> <ctcr_id>
2107

> <supplier_cmpd_id>
T2372

> <smiles>
CN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(c3)C#Cc4cnc5cccnn45)cc2C(F)(F)F)CC1

> <pd_targets>
{FGFR3,FGFR4,FGFR2,PDGFRA,ABL1,KIT,SRC,BCR,FGFR1,RIPK2,KDR,RET,FLT1,ABL2,LYN,PDGFRB,CDK8,CDK19,RIPK1,GSK3B,RIPK3,CCDC6,FLT3,TEK,LCK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Atypical protein kinase group","TKL protein kinase group","CMGC protein kinase group","Tyrosine protein kinase FGFR family","Tyrosine protein
 kinase PDGFR family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Src family","Atypical protein kinase BCR family","TKL protein kinase RIPK family","Tyrosine protein kinase VEGFR fam
ily","Tyrosine protein kinase Ret family","CMGC protein kinase CDK family","CMGC protein kinase GSK family","Tyrosine protein kinase Tie family","CMGC protein kinase CDK8 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Atypical,"TK: Tyrosine kinase","TKL: Tyrosine kinase-like","Cyclin-de
pendent kinase (CDK) family","Glycogen synthase kinase (GSK) family","BCR family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Receptor interacting protein kinase (RIPK)
 family","CDK8 subfamily","GSK subfamily","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Abl family","Src family","Type IV RTKs: 
VEGF (vascular endothelial growth factor) receptor family","Type XIV RTKs: RET","Type XII RTKs: TIE family of angiopoietin receptors"}

> <pathway_reactome>
{Disease,"Signal Transduction","Immune System","Developmental Biology",Metabolism,"Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kin
ases","Infectious disease","Innate Immune System","Nervous system development","Intracellular signaling by second messengers","Metabolism of lipids","MAPK family signaling cascades","Signaling by FGFR
 in disease","Signaling by FGFR","Signaling by PDGFR in disease","Leishmania infection","Signaling by KIT in disease","Signaling by NTRKs","Toll-like Receptor Cascades","Signaling by VEGF","Axon guida
nce","PIP3 activates AKT signaling","Signaling by NOTCH1 in Cancer","Regulation of lipid metabolism by PPARalpha","SARS-CoV Infections","Signaling by Insulin receptor","MAPK1/MAPK3 signaling","HIV Inf
ection","Signaling by FGFR3 in disease","Signaling by FGFR4","Signaling by FGFR2 in disease","Drug resistance of PDGFR mutants","Parasite infection","Drug resistance of KIT mutants","Signaling by NTRK
1 (TRKA)","Signaling by FGFR1 in disease","Toll Like Receptor 5 (TLR5) Cascade","VEGFA-VEGFR2 Pathway","RET signaling","VEGF ligand-receptor interactions","Leishmania parasite growth and survival","Ne
gative regulation of the PI3K/AKT network","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","PPARA activates gene expression","Toll Like Receptor 4 (TLR4) Cascade","SARS-CoV-1 Infection","Insuli
n receptor signalling cascade","RAF/MAP kinase cascade","Host Interactions of HIV factors","Signaling by FGFR3 point mutants in cancer","Downstream signaling of activated FGFR4","FGFR2 mutant receptor
 activation","Imatinib-resistant PDGFR mutants","Leishmania phagocytosis","Dasatinib-resistant KIT mutants","Signalling to ERKs","FGFR1 mutant receptor activation","MyD88 cascade initiated on plasma m
embrane","VEGFR2 mediated cell proliferation","VEGF binds to VEGFR leading to receptor dimerization","Anti-inflammatory response favouring Leishmania parasite infection",PI5P,"PP2A and IER3 Regulate P
I3K/AKT Signaling","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","MyD88-independent TLR4 cascade","SARS-CoV-1 Genome Replication and Transcription","IRS-mediated signalling","The role of N
ef in HIV-1 replication and disease pathogenesis","FGFR3 mutant receptor activation","FRS-mediated FGFR4 signaling","Activated point mutants of FGFR2","FCGR3A-mediated phagocytosis","Signalling to RAS
","Signaling by activated point mutants of FGFR1","MAP kinase activation","FCGR3A-mediated IL10 synthesis","TRIF(TICAM1)-mediated TLR4 signaling","Replication of the SARS-CoV-1 genome","PI3K Cascade",
"Signaling by cytosolic FGFR1 fusion mutants","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Signaling by activated point mutants of FGFR3","p38MAPK 
events","activated TAK1 mediates p38 MAPK activation","IKK complex recruitment mediated by RIP1","Nef Mediated CD4 Down-regulation"}

> <broad_targets>
{ABL1,BCR,FGFR1,FGFR2,FGFR3,FGFR4,FLT3,KDR,KIT,LCK,LYN,PDGFRA,RET,SRC,TEK}

> <broad_moa>
{"Bcr-Abl kinase inhibitor","FLT3 inhibitor","PDGFR tyrosine kinase receptor inhibitor"}

> <synonyms>
{D09950,Q-4579,Q4579,AB01565847_03,AB0156584703,AB01565847-03,"AB01565847 03",Q198728,PONATINIB,943319-70-8,943319708,AP24534,"Ponatinib (AP24534)","AP 24534",Iclusig,AP-24534,UNII-4340891KFS,UNII4340
891KFS,AP24534(Ponatinib),CHEMBL1171837,CHEBI:78543,"943319-70-8 (free base)","943319708 (free base)",4340891KFS,C29H27F3N6O,"Ponatinib (USAN:INN)",T2372,758487,Ponatinib,S1490}

> <pdid>
PD004100

> <targets>
{"FGFR | FLT-3 | Src-bcr-Abl | VEGFR-",Flt,FGFR,VEGFR,Bcr-Abl,PDGFR,Autophagy,Src}

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

> <pubchem_cids>
{24826799}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 35 39  0  0  0  0            999 V2000
   -1.3553   -2.5513    0.0000 C   0  0
   -0.4775   -3.7676    0.0000 O   0  0
    1.0157   -3.6164    0.0000 C   0  0
    1.6281   -2.2462    0.0000 C   0  0
    3.1202   -2.0921    0.0000 O   0  0
    0.7500   -1.0323    0.0000 N   0  0
    1.2135    0.3943    0.0000 C   0  0
    0.0000    1.2760    0.0000 C   0  0
   -0.4623    2.7009    0.0000 N   0  0
   -1.9623    2.7008    0.0000 N   0  0
   -2.4258    1.2743    0.0000 C   0  0
   -3.8515    0.8135    0.0000 N   0  0
   -4.9659    1.8188    0.0000 C   0  0
   -4.6522    3.2856    0.0000 O   0  0
   -6.3940    1.3573    0.0000 C   0  0
   -7.5092    2.3604    0.0000 C   0  0
   -8.9356    1.8962    0.0000 C   0  0
   -9.2468    0.4288    0.0000 C   0  0
   -8.1316   -0.5743    0.0000 C   0  0
   -6.7052   -0.1101    0.0000 C   0  0
  -10.6739   -0.0356    0.0000 N   0  0
  -11.7908    0.9658    0.0000 C   0  0
  -13.2164    0.4993    0.0000 C   0  0
  -13.5252   -0.9685    0.0000 N   0  0
  -14.9509   -1.4350    0.0000 C   0  0
  -12.4085   -1.9699    0.0000 C   0  0
  -10.9828   -1.5035    0.0000 C   0  0
   -1.2135    0.3943    0.0000 C   0  0
   -0.7500   -1.0323    0.0000 C   0  0
    1.8954   -4.8324    0.0000 C   0  0
    1.2853   -6.2028    0.0000 C   0  0
    2.1669   -7.4164    0.0000 C   0  0
    3.6587   -7.2596    0.0000 C   0  0
    4.2689   -5.8893    0.0000 C   0  0
    3.3872   -4.6758    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  1  0
 27 21  1  0
 11 28  1  0
 28  8  2  0
 28 29  1  0
 29  6  1  0
  3 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13742

> <plate>
PLATE 001

> <well>
E2

> <supplier_cmpd_name>
Danusertib

> <ctcr_id>
1335

> <supplier_cmpd_id>
T2094

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

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

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

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

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

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD011133

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

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{21874004}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13743

> <plate>
PLATE 001

> <well>
E3

> <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_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 O   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4811    5.2598    0.0000 N   0  0
   -5.1777    6.0039    0.0000 C   0  0
   -3.8826    5.2472    0.0000 O   0  0
   -5.1695    7.5047    0.0000 N   0  0
   -3.8661    8.2488    0.0000 C   0  0
   -3.7179    9.7286    0.0000 C   0  0
   -2.2486   10.0303    0.0000 C   0  0
   -1.5076    8.7261    0.0000 O   0  0
   -2.5190    7.6184    0.0000 N   0  0
   -1.6297   11.3948    0.0000 C   0  0
   -0.1369   11.5408    0.0000 C   0  0
   -0.7567   10.1750    0.0000 C   0  0
   -2.5027   12.6156    0.0000 C   0  0
   -1.8831   13.9817    0.0000 F   0  0
   -3.9956   12.4696    0.0000 F   0  0
   -3.3758   13.8354    0.0000 F   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 20  2  0
 22 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
 15 32  2  0
 32 11  1  0
  9 33  2  0
 33  5  1  0
 33 34  1  0
 34 35  2  0
 35  3  1  0
 35 36  1  0
 36 37  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13744

> <plate>
PLATE 001

> <well>
E4

> <supplier_cmpd_name>
CEP-32496

> <ctcr_id>
6980

> <supplier_cmpd_id>
T2070

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

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

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

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

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

> <broad_targets>
{BRAF,RAF1}

> <broad_moa>
{"RAF inhibitor"}

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

> <pdid>
PD010266

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

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

> <pubchem_cids>
{56846693}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 40 43  0  0  0  0            999 V2000
    3.9068   -0.7607    0.0000 C   0  0
    2.6046   -1.5052    0.0000 O   0  0
    2.5973   -3.0060    0.0000 C   0  0
    3.8942   -3.7597    0.0000 C   0  0
    3.8899   -5.2597    0.0000 C   0  0
    2.5887   -6.0060    0.0000 C   0  0
    1.2918   -5.2523    0.0000 C   0  0
    1.2961   -3.7523    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 N   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -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
   -2.5693    1.4977    0.0000 N   0  0
   -1.2759    0.7365    0.0000 C   0  0
   -1.2888   -0.7634    0.0000 O   0  0
    0.0306    1.4752    0.0000 C   0  0
    1.3233    0.7144    0.0000 C   0  0
   -3.8861   -0.7410    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 N   0  0
   -5.2096   -5.9864    0.0000 C   0  0
   -5.2157   -7.4863    0.0000 F   0  0
   -6.5058   -5.2315    0.0000 F   0  0
   -6.5115   -6.7312    0.0000 F   0  0
    5.1874   -6.0137    0.0000 N   0  0
    6.4899   -5.2696    0.0000 C   0  0
    7.7856   -6.0253    0.0000 C   0  0
    7.7789   -7.5253    0.0000 N   0  0
    6.4766   -8.2695    0.0000 C   0  0
    5.1809   -7.5138    0.0000 C   0  0
    9.0738   -8.2841    0.0000 C   0  0
    9.0650   -9.7841    0.0000 O   0  0
   10.3774   -7.5422    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
 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  2  0
 22 24  1  0
 24 25  2  0
 20 26  2  0
 26 16  1  0
 14 27  2  0
 27 10  1  0
 13 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
  5 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 32  1  0
 35 38  1  0
 38 39  2  0
 38 40  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13745

> <plate>
PLATE 001

> <well>
E5

> <supplier_cmpd_name>
Rociletinib

> <ctcr_id>
5014

> <supplier_cmpd_id>
T2369

> <smiles>
COc1cc(ccc1Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)C(F)(F)F)N4CCN(CC4)C(=O)C

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

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XIX RTKs: Leukocyte tyr
osine kinase (LTK) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","Intracellular signaling by second messengers","GPCR downstream signalling","PIP3 activates AKT signaling","G alpha (q) signalling events","Negative regulati
on of the PI3K/AKT network","Gastrin-CREB signalling pathway via PKC and MAPK",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","EGFR Transactivation by Gastrin"}

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{NX41,Rociletinib,1374640-70-6,1374640706,CO-1686,CO1686,AVL-301,AVL301,CNX-419,CNX419,"CO-1686 (AVL-301)","CO1686 (AVL301)",UNII-72AH61702G,UNII72AH61702G,"Rociletinib (CO-1686, AVL-301)","Rociletini
b (CO1686, AVL301)",72AH61702G,CS-1631,CS1631,"Rociletinib (USAN:INN)","CO 1686",Tube721,"Rociletinib (USAN/INN)","Rociletinib; CO-1686","Rociletinib; CO1686",T2369,S7284}

> <pdid>
PD010366

> <targets>
{EGFR}

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

> <pubchem_cids>
{57335384}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 31 33  0  0  0  0            999 V2000
    9.9949    2.8884    0.0000 C   0  0
    9.3803    1.5201    0.0000 C   0  0
    7.8873    1.3671    0.0000 S   0  0
    7.0092    2.5832    0.0000 O   0  0
    8.5012    2.7357    0.0000 O   0  0
    7.2749    0.0036    0.0000 N   0  0
    5.8727   -0.5294    0.0000 C   0  0
    6.4440   -1.8462    0.0000 C   0  0
    7.3224   -3.0632    0.0000 C   0  0
    8.8156   -2.9119    0.0000 C   0  0
   10.3080   -2.7606    0.0000 N   0  0
    7.8079   -1.3985    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   12.8095   -0.9528    0.0000 O   0  0
   14.1088   -0.2033    0.0000 P   0  0
   15.4080   -0.9528    0.0000 O   0  0
   14.1088    1.2967    0.0000 O   0  0
   14.1088   -1.7033    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  3  0
  8 12  1  0
 12  6  1  0
  8 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 13  1  0
 15 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 18  1  0
 26 22  2  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 28 31  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13746

> <plate>
PLATE 001

> <well>
E6

> <supplier_cmpd_name>
Baricitinib Phosphate

> <ctcr_id>
202

> <supplier_cmpd_id>
T2360

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>

> <targets>
{JAK,JAK2,JAK1}

> <classes>
{}

> <pubchem_cids>
{44231848}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.6012    3.0008    0.0000 O   0  0
   -3.9020    3.7494    0.0000 C   0  0
   -3.9073    5.2494    0.0000 C   0  0
   -5.2089    5.9949    0.0000 C   0  0
   -6.5054    5.2404    0.0000 C   0  0
   -7.8093    5.9836    0.0000 C   0  0
   -9.1053    5.2269    0.0000 C   0  0
   -9.0975    3.7269    0.0000 O   0  0
  -10.4092    5.9701    0.0000 N   0  0
  -11.7053    5.2133    0.0000 C   0  0
  -13.0609    5.8249    0.0000 C   0  0
  -14.0569    4.7033    0.0000 N   0  0
  -13.2979    3.4095    0.0000 N   0  0
  -11.8328    3.7315    0.0000 C   0  0
  -15.5483    4.8464    0.0000 C   0  0
  -16.4197    3.6256    0.0000 C   0  0
  -16.1703    6.2114    0.0000 C   0  0
   -6.5002    3.7404    0.0000 C   0  0
   -5.1985    2.9949    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 19  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 14 27  1  0
 27 28  2  0
 28 11  1  0
  9 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32  8  1  0
 32 33  2  0
 33  3  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13747

> <plate>
PLATE 001

> <well>
E7

> <supplier_cmpd_name>
AZD2932

> <ctcr_id>
12251

> <supplier_cmpd_id>
T1836

> <smiles>
COc1c(OC)cc2c(Oc3ccc(CC(=O)Nc4cn(nc4)C(C)C)cc3)ncnc2c1

> <pd_targets>
{KDR,FLT3,CYP2C9,CSF1R,PDGFRB,FLT4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 2","TK protein kinase group","Cytochrome P450 family 2C","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR
 family","Cytochrome P450 2C9"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Cytochrome P450","Receptor kinases","CYP2 family: drug metabolising subset","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type IV RTKs: VEGF (vasc
ular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Signal Transduction",Metabolism,"Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","Biological oxidations","RNA Polymerase II Transcription","Intracellular signaling by secon
d messengers","Signaling by VEGF","Signaling by Insulin receptor","Phase I - Functionalization of compounds","Generic Transcription Pathway","PIP3 activates AKT signaling","VEGFA-VEGFR2 Pathway","Insu
lin receptor signalling cascade","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by VENTX","Negative regulation of the PI3K/AKT network","VEGF ligand-receptor interactions",
"VEGFR2 mediated cell proliferation","IRS-mediated signalling",Xenobiotics,PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","VEGF binds to VEGFR leading to receptor dimerization","PI3K Cascade","CYP2E
1 reactions"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AZD2932,883986-34-3,883986343,AZD-2932,UNII-SJ9PP5S9IM,UNIISJ9PP5S9IM,SJ9PP5S9IM,CHEMBL1940274,"AZD 2932",SCHEMBL1099958,EX-A998,EXA998,AOB87706,BCP07984,BDBM50362058,MFCD25977021,s7003,ZINC73224167,
AKOS026750228,CCG-269204,CCG269204,CS-3356,CS3356,NCGC00390637-02,NCGC0039063702,NCGC00481555-01,NCGC0048155501,AC-33005,AC33005,HY-181,HY181,T1836}

> <pdid>
PD012441

> <targets>
{c-Kit,FLT3,PDGFR¦Â,VEGFR2}

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

> <pubchem_cids>
{11517980}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 I   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -2.6044    2.9986    0.0000 C   0  0
   -3.9039    3.7478    0.0000 C   0  0
   -3.9049    5.2478    0.0000 C   0  0
   -2.6064    5.9986    0.0000 C   0  0
   -1.3068    5.2495    0.0000 C   0  0
   -0.0060    5.9981    0.0000 N   0  0
    1.2932    5.2467    0.0000 C   0  0
    1.2915    3.7467    0.0000 O   0  0
    2.5940    5.9953    0.0000 N   0  0
    3.9458    5.3752    0.0000 C   0  0
    4.9487    6.4905    0.0000 C   0  0
    4.1979    7.7891    0.0000 C   0  0
    2.7309    7.4763    0.0000 C   0  0
   -1.3058    3.7495    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.9117   -8.2482    0.0000 C   0  0
   -5.2094   -7.4959    0.0000 O   0  0
   -3.9148   -9.7490    0.0000 C   0  0
   -5.1283  -10.6088    0.0000 S   0  0
   -4.6648  -12.0354    0.0000 C   0  0
   -3.1648  -12.0354    0.0000 C   0  0
   -2.7012  -10.6088    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 15  1  0
 11 20  2  0
 20  7  1  0
  5 21  1  0
 21 22  2  0
 22  2  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 30  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13748

> <plate>
PLATE 001

> <well>
E8

> <supplier_cmpd_name>
BX795

> <ctcr_id>
5248

> <supplier_cmpd_id>
T1830

> <smiles>
Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c4sccc4

> <pd_targets>
{IKBKE,PDPK1,GSK3B,CHEK1,KDR,CDK2,TBK1,PRKACA,PRKACB,PRKACG,PRKAR1A,PRKAR1B,PRKAR2A,PRKAR2B,PDK1,CGAS,ULK1,ULK2}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","Other protein kinase group","AGC protein kinase group","CMGC protein kinase group","CAMK protein kinase group","TK protein kinase group","Atypical protein 
kinase group","AGC protein kinase PDK1 subfamily","CMGC protein kinase GSK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase VEGFR family","CMGC protein kinase CDK family","Other pro
tein kinase IKK family","Atypical protein kinase PDHK subfamily","Other protein kinase ULK family","CAMK protein kinase CHK1 subfamily","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Cyclic nucleotide turnover/signalling","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CL
K families","CAMK: Calcium/calmodulin-dependent protein kinases",Atypical,"Cyclic GMP-AMP synthase","Other protein kinases","PDK1 family","Glycogen synthase kinase (GSK) family","CAMK-like (CAMKL) fam
ily","TK: Tyrosine kinase","Cyclin-dependent kinase (CDK) family","Protein kinase A (PKA) family","PDHK family","IKK family","GSK subfamily","CHK1 subfamily","Receptor tyrosine kinases (RTKs)","CDK1 s
ubfamily","Unc-51-like kinase (ULK) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)",Disease,"DNA Repair","Signal Transduction",Metabolism,Autophagy,"Innate Immune System","RNA Polymerase II Transcription","Infectious disease","DNA Do
uble-Strand Break Repair","Signaling by Receptor Tyrosine Kinases","The citric acid (TCA) cycle and respiratory electron transport",Macroautophagy,"Toll-like Receptor Cascades","Generic Transcription 
Pathway","SARS-CoV Infections","Homology Directed Repair","Signaling by VEGF","Pyruvate metabolism and Citric Acid (TCA) cycle","Cytosolic sensors of pathogen-associated DNA","Selective autophagy","To
ll Like Receptor 4 (TLR4) Cascade","Transcriptional Regulation by TP53","SARS-CoV-1 Infection","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","VEGFA-VEGFR2 Pathway","Pyr
uvate metabolism","STING mediated induction of host immune responses",Mitophagy,"MyD88-independent TLR4 cascade","Regulation of TP53 Activity","SARS-CoV-1 Genome Replication and Transcription","HDR th
rough Homologous Recombination (HRR)","VEGFR2 mediated cell proliferation","Regulation of pyruvate dehydrogenase (PDH) complex","Receptor Mediated Mitophagy","TRIF(TICAM1)-mediated TLR4 signaling","Re
gulation of TP53 Expression and Degradation","Replication of the SARS-CoV-1 genome","Homologous DNA Pairing and Strand Exchange","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Regulation of T
P53 Degradation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{CDK2,CHEK1,GSK3B,KDR,PDK1,PDPK1}

> <broad_moa>
{"IKK inhibitor"}

> <synonyms>
{702675-74-9,702675749,BX795,BX-795,"BX 795",C23H26IN7O2S,BX7,"BX-795 hydrochloride","BX795 hydrochloride",cc-617,cc617,MLS006011190,CHEMBL577784,GTPL8006,SCHEMBL3865995,BDBM17051,CHEBI:91439,AOB2187,
DTXSID50435186,EX-A262,EXA262,SYN1026,BCPP000310,HMS3244G15,HMS3244G16,HMS3244H15,HMS3651A07,HM,T1830,SY-BX795}

> <pdid>
PD011033

> <targets>
{PDK1 TBK1,PDK1/TBK1,Autophagy,IKK,PDK-1}

> <classes>
{Autophagy,NF-ºB,PI3K/Akt/mTOR}

> <pubchem_cids>
{10077147}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Br  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -7.8010    1.4796    0.0000 N   0  0
   -9.0971    0.7229    0.0000 C   0  0
   -9.0893   -0.7771    0.0000 O   0  0
  -10.4010    1.4661    0.0000 N   0  0
  -11.7502    0.8404    0.0000 C   0  0
  -12.7578    1.9516    0.0000 C   0  0
  -12.0123    3.2533    0.0000 C   0  0
  -10.5440    2.9465    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.7508   -7.4791    0.0000 C   0  0
   -4.2191   -7.7859    0.0000 N   0  0
   -4.9646   -6.4843    0.0000 C   0  0
   -3.9570   -5.3730    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 13  1  0
  9 18  2  0
 18 19  1  0
 19 20  2  0
 20  7  1  0
  5 21  1  0
 21 22  2  0
 22  2  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 26  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13749

> <plate>
PLATE 001

> <well>
E9

> <supplier_cmpd_name>
BX912

> <ctcr_id>
11409

> <supplier_cmpd_id>
T1837

> <smiles>
Brc1cnc(Nc2cc(NC(=O)N3CCCC3)ccc2)nc1NCCc1cnc[nH]1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{CDK2,CHEK1,GSK3B,KDR,PDK1,PDPK1}

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

> <synonyms>
{BRD-K49669041-001-01-9,BRDK49669041001019,Q27075611,BX-912,BX912,702674-56-4,702674564,"BX 912",C20H23BrN8O,"CID 11754511",cc-391,cc391,MLS006011015,GTPL8007,SCHEMBL3869633,CHEMBL3916849,SCHEMBL15825
412,BDBM17052,CHEBI:91357,AOB2905,DTXSID30471901,EX-A945,EXA945,SYN1027,BCPP000309,HMS3244G1,T1837}

> <pdid>

> <targets>
{CDK2/CyclinE,Chk1,PDK1,PKA,VEGFR2?(KDR)}

> <classes>
{Angiogenesis,"Cell Cycle/Checkpoint","GPCR/G Protein","PI3K/Akt/mTOR signaling","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{11754511}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
    7.7999   -3.0121    0.0000 C   0  0
    9.0950   -3.7689    0.0000 N   0  0
    9.0867   -5.2697    0.0000 C   0  0
   10.3832   -6.0242    0.0000 C   0  0
   10.3780   -7.5242    0.0000 C   0  0
    9.0764   -8.2697    0.0000 C   0  0
    7.7800   -7.5152    0.0000 C   0  0
    7.7850   -6.0152    0.0000 C   0  0
    6.4863   -5.2630    0.0000 C   0  0
    5.1851   -6.0107    0.0000 N   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    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
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2935   -3.7495    0.0000 N   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    2.5795   -7.5048    0.0000 C   0  0
    1.2784   -8.2511    0.0000 F   0  0
    3.8762   -8.2589    0.0000 F   0  0
    2.5751   -9.0048    0.0000 F   0  0
   10.3984   -3.0249    0.0000 S   0  0
   11.7015   -2.2818    0.0000 C   0  0
   10.4067   -1.5249    0.0000 O   0  0
   11.6935   -3.7816    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 18  1  0
 23 24  2  0
 24 15  1  0
 13 25  2  0
 25 26  1  0
 26 27  2  0
 27 11  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
  2 32  1  0
 32 33  1  0
 32 34  2  0
 32 35  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13750

> <plate>
PLATE 001

> <well>
E10

> <supplier_cmpd_name>
PF 431396

> <ctcr_id>
4503

> <supplier_cmpd_id>
T2314

> <smiles>
CN(c1ccccc1CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)[S](C)(=O)=O

> <pd_targets>
{BRD4,PTK2,PTK2B,AURKA}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Kinase,Bromodomain,"Protein Kinase","TK protein kinase group","Other protein kinase group","Tyrosine protein kinase Fak family","Other protein kinase AUR family"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Catalytic receptors","Enzymatic bromodomain-containing proteins","Receptor kinases","Bromodomain kinase (BRDK) family","TK: Tyrosine kinase","Other pr
otein kinases","Non-receptor tyrosine kinases (nRTKs)","Aurora kinase (Aur) family","Fak family"}

> <pathway_reactome>
{Disease,"Immune System","Gene expression (Transcription)","Infectious disease","Cytokine Signaling in Immune system","RNA Polymerase II Transcription","SARS-CoV Infections","Leishmania infection","Si
gnaling by Interleukins","Generic Transcription Pathway","Potential therapeutics for SARS","Parasite infection","Interleukin-2 family signaling","Transcriptional Regulation by TP53","Leishmania phagoc
ytosis","Interleukin-2 signaling","Regulation of TP53 Activity","FCGR3A-mediated phagocytosis","Regulation of TP53 Activity through Phosphorylation"}

> <broad_targets>
{PTK2,PTK2B}

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

> <synonyms>
{PF-431396,PF431396,"PF 431396",717906-29-1,717906291,CHEMBL472212,C22H21F3N6O3S,3fzr,"CID 11598628",SCHEMBL3144824,CHEBI:91388,AOB6096,DTXSID50469204,EX-A787,EXA787,SYN1063,BCPP000115,HMS3244D04,HMS3
244D08,HMS3244D12,HMS3295C21,HMS3750E11,BCP01974,2637AH,ABP00051,T2314,SY-PF431396}

> <pdid>
PD016438

> <targets>
{FAK,PYK2}

> <classes>
{}

> <pubchem_cids>
{11598628}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 41 45  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.6012   -3.0008    0.0000 O   0  0
   -3.9020   -3.7494    0.0000 C   0  0
   -5.1985   -2.9950    0.0000 C   0  0
   -6.5001   -3.7405    0.0000 C   0  0
   -6.5053   -5.2405    0.0000 C   0  0
   -5.2089   -5.9949    0.0000 C   0  0
   -3.9072   -5.2494    0.0000 C   0  0
   -2.6108   -6.0039    0.0000 F   0  0
   -7.8061   -5.9891    0.0000 N   0  0
   -7.8092   -7.4899    0.0000 C   0  0
   -6.5114   -8.2421    0.0000 O   0  0
   -9.1099   -8.2385    0.0000 C   0  0
  -10.4592   -7.6128    0.0000 N   0  0
  -11.4667   -8.7240    0.0000 N   0  0
  -10.7212  -10.0257    0.0000 C   0  0
   -9.2529   -9.7188    0.0000 C   0  0
   -8.1374  -10.7189    0.0000 O   0  0
   -8.4453  -12.1878    0.0000 C   0  0
   -7.3284  -13.1891    0.0000 C   0  0
  -12.9587   -8.5620    0.0000 C   0  0
  -13.7478   -9.8397    0.0000 C   0  0
  -15.2470   -9.7904    0.0000 C   0  0
  -15.9540   -8.4675    0.0000 C   0  0
  -15.1617   -7.1938    0.0000 C   0  0
  -13.6625   -7.2430    0.0000 C   0  0
  -12.8699   -5.9696    0.0000 C   0  0
  -17.4532   -8.4182    0.0000 F   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    2.5951   -3.0031    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  4  1  0
  7 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 15 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 22  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 24 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 35 36  1  0
 33 37  1  0
  2 38  1  0
 38 39  1  0
  1 40  1  0
 40 41  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13751

> <plate>
PLATE 001

> <well>
E11

> <supplier_cmpd_name>
LDC1267

> <ctcr_id>
12811

> <supplier_cmpd_id>
T2311

> <smiles>
c1(c(cc2c(c1)c(ccn2)Oc1ccc(cc1F)NC(=O)c1nn(cc1OCC)c1ccc(cc1C)F)OC)OC

> <pd_targets>
{TYRO3,MERTK,AXL}

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

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

> <pathway_reactome>
{Hemostasis,"Signal Transduction","Cell surface interactions at the vascular wall","Signaling by Receptor Tyrosine Kinases","Signaling by VEGF","VEGFA-VEGFR2 Pathway"}

> <broad_targets>
{AXL,MERTK,TYRO3}

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

> <synonyms>
{LDC1267,1361030-48-9,1361030489,LDC-1267,CHEMBL3808844,SCHEMBL167963,GTPL8247,AOB87188,BCP14023,EX-A2265,EXA2265,BDBM50172075,s7638,AKOS026750422,ZINC113241878,CCG-270046,CCG270046,CS-3603,CS3603,SB1
9391,NCGC00386431-02,NCGC0038643102,AC-31422,AC31422,AK317101,AS-55927,AS55927,HY-12494,HY12494,A13003,Q27079711,R6H,T2311}

> <pdid>
PD012843

> <targets>
{"TAM Receptor",AXL,Mer,Tyro3}

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

> <pubchem_cids>
{56847486}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 34 37  0  0  1  0            999 V2000
   10.3996   -1.4837    0.0000 C   0  0
    9.0990   -0.7364    0.0000 N   0  0
    9.0964    0.7636    0.0000 C   0  0
    7.8003   -1.4887    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 N   0  0
    1.2960    5.2539    0.0000 C   0  0
    2.5925    6.0085    0.0000 C   0  0
    2.5873    7.5085    0.0000 C   0  0
    1.2856    8.2540    0.0000 C   0  0
    1.2804    9.7540    0.0000 F   0  0
   -0.0108    7.4995    0.0000 C   0  0
   -1.3124    8.2450    0.0000 Cl  0  0
   -0.0056    5.9995    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0  1  0  0  0
   -1.4469   -5.2298    0.0000 C   0  0
   -2.9152   -5.5365    0.0000 C   0  0
   -3.6607   -4.2349    0.0000 O   0  0
   -2.6531   -3.1237    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 22 15  1  0
 13 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 12  1  0
 26 27  1  0
 27 28  2  0
 28 10  1  0
 28 29  1  0
 30 29  1  1
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 30  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13752

> <plate>
PLATE 001

> <well>
F2

> <supplier_cmpd_name>
Afatinib

> <ctcr_id>
1768

> <supplier_cmpd_id>
T2303

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

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

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

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

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

> <broad_targets>
{EGFR,ERBB2,ERBB4}

> <broad_moa>
{"EGFR inhibitor"}

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

> <pdid>
PD003240

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

> <classes>
{}

> <pubchem_cids>
{57519523}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
   -9.2190   18.6993    0.0000 C   0  0
   -9.2013   17.1994    0.0000 N   0  0
   -7.8932   16.4636    0.0000 C   0  0
   -6.6029   17.2285    0.0000 O   0  0
   -7.8755   14.9628    0.0000 C   0  0
   -6.5692   14.2256    0.0000 C   0  0
   -6.5545   12.7256    0.0000 C   0  0
   -5.2490   11.9853    0.0000 O   0  0
   -5.2365   10.4845    0.0000 C   0  0
   -3.9327    9.7426    0.0000 C   0  0
   -3.9233    8.2426    0.0000 C   0  0
   -5.2175    7.4845    0.0000 C   0  0
   -5.2112    5.9836    0.0000 N   0  0
   -6.5072    5.2269    0.0000 C   0  0
   -7.8115    5.9678    0.0000 N   0  0
   -9.1053    5.2088    0.0000 C   0  0
   -9.0949    3.7089    0.0000 C   0  0
  -10.3887    2.9499    0.0000 F   0  0
   -7.7907    2.9679    0.0000 C   0  0
   -7.7773    1.4671    0.0000 N   0  0
   -6.4713    0.7276    0.0000 C   0  0
   -6.4556   -0.7724    0.0000 C   0  0
   -5.1489   -1.5089    0.0000 C   0  0
   -3.8577   -0.7454    0.0000 C   0  0
   -3.8733    0.7545    0.0000 C   0  0
   -2.5829    1.5210    0.0000 N   0  0
   -2.6006    3.0217    0.0000 C   0  0
   -3.9087    3.7559    0.0000 O   0  0
   -1.3103    3.7883    0.0000 C   0  0
   -1.3280    5.2882    0.0000 C   0  0
   -5.1800    1.4910    0.0000 C   0  0
   -6.4969    3.7269    0.0000 N   0  0
   -6.5213    8.2262    0.0000 C   0  0
   -6.5308    9.7262    0.0000 C   0  0
   -7.8461   11.9630    0.0000 C   0  0
   -9.1524   12.7003    0.0000 C   0  0
   -9.1671   14.2002    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
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  2  0
 25 31  2  0
 31 21  1  0
 19 32  2  0
 32 14  1  0
 12 33  1  0
 33 34  2  0
 34  9  1  0
  7 35  2  0
 35 36  1  0
 36 37  2  0
 37  5  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13753

> <plate>
PLATE 001

> <well>
F3

> <supplier_cmpd_name>
CNX-774

> <ctcr_id>
1934

> <supplier_cmpd_id>
T2302

> <smiles>
CNC(=O)c1cc(Oc2ccc(Nc3ncc(F)c(Nc4cccc(NC(=O)C=C)c4)n3)cc2)ccn1

> <pd_targets>
{ITK,BTK,EGFR,JAK3,BMX}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Tec family","Type I RTKs: ErbB (epidermal growth f
actor) receptor family","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Immune System",Disease,"Signal Transduction",Metabolism,"Adaptive Immune System","Infectious disease","Signaling by GPCR","Cytokine Signaling in Immune system","Metabolism of lipids","TCR signaling"
,"Leishmania infection","GPCR downstream signalling","Signaling by Interleukins","Phospholipid metabolism","Generation of second messenger molecules","Parasite infection","G alpha (q) signalling event
s","Interleukin-2 family signaling","PI Metabolism","Leishmania phagocytosis","Gastrin-CREB signalling pathway via PKC and MAPK","Interleukin-15 signaling","Synthesis of PIPs at the plasma membrane","
FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin"}

> <broad_targets>
{BTK}

> <broad_moa>
{"Bruton's tyrosine kinase (BTK) inhibitor"}

> <synonyms>
{NX77,CNX-774,CNX774,1202759-32-7,1202759327,CHEMBL2216827,GTPL9266,SCHEMBL12519438,C26H22FN7O3,AMY9042,HMS3653K04,AOB87124,BCP09105,EX-A1309,EXA1309,2333AH,BDBM50403056,s7257,ZINC72317469,AKOS0251486
12,ACN-025764,ACN025764,CCG-269681,CCG269681,CS-1806,CS1806,SB17240,NCGC00386312-05,NCGC0038631205,AK474037,BS-144,BS144,T2302,S7257}

> <pdid>
PD010378

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{59174579}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 34 39  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.6929   -4.0817    0.0000 C   0  0
    0.3385   -5.5341    0.0000 C   0  0
    1.4233   -6.5700    0.0000 C   0  0
    2.8629   -6.1484    0.0000 C   0  0
    3.2176   -4.6910    0.0000 C   0  0
    4.6570   -4.2662    0.0000 O   0  0
    5.0099   -2.8075    0.0000 C   0  0
    6.4493   -2.3827    0.0000 C   0  0
    6.8041   -0.9252    0.0000 C   0  0
    8.2436   -0.5037    0.0000 C   0  0
    9.3285   -1.5395    0.0000 C   0  0
    8.9738   -2.9970    0.0000 C   0  0
    7.5343   -3.4186    0.0000 C   0  0
    2.1327   -3.6551    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0  1  0  0  0
   -4.7449   -0.2644    0.0000 C   0  0
   -5.9313   -1.1822    0.0000 C   0  0  1  0  0  0
   -5.0135   -2.3686    0.0000 C   0  0
   -7.4136   -0.9899    0.0000 C   0  0
   -7.9915    0.3952    0.0000 N   0  0
   -9.4418    0.7246    0.0000 C   0  0
   -9.5602    2.2199    0.0000 C   0  0
   -8.1746    2.7945    0.0000 C   0  0
   -7.1999    1.6544    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 14 23  2  0
 23 10  1  0
  9 24  1  0
 24  2  1  0
 24  6  2  0
 25  7  1  6
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 25  1  0
 27 29  1  1
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 30  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13754

> <plate>
PLATE 001

> <well>
F4

> <supplier_cmpd_name>
NVP-ADW742

> <ctcr_id>
7100

> <supplier_cmpd_id>
T2107

> <smiles>
Nc1ncnc2n(cc(c3cccc(OCc4ccccc4)c3)c12)[C@H]5C[C@@H](C5)CN6CCCC6

> <pd_targets>
{IGF1R,INSR,KIT,AURKA,FLT3,FLT1,CHEK2,PRKD2,RPS6KB1,MARK3,MARK2,CDC42BPA,LIMK1,KDR,LCK,FGFR1,ERBB4,BLK,SRC,STK3,CSNK1D,ROCK2,FLT4,LYN,ROCK1,PLK4,CSF1R,PRKCD,AURKB,NEK2,ACVR1,PDPK1,PIK3CG,FGFR4,EGFR,PD
GFRA,FGFR2,RET,GSC2,KCNH2,BTK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase InsR family","Other protein kinase group","CAMK protein kinase group","AGC protein kinase group","TKL protein kinase 
group","STE protein kinase group","CK1 protein kinase group","Tyrosine protein kinase PDGFR family","Other protein kinase AUR family","Tyrosine protein kinase VEGFR family","CAMK protein kinase RAD53 
family","CAMK protein kinase PKD family","AGC protein kinase RSK family","CAMK protein kinase CAMK1 family","AGC protein kinase DMPK family","TKL protein kinase LISK family","Tyrosine protein kinase S
rc family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase EGFR family","STE protein kinase STE20 family","CK1 protein kinase CK1 family","Other protein kinase PLK family","AGC protein 
kinase PKC family","Other protein kinase NEK family","AGC protein kinase p70 subfamily","CAMK protein kinase MARK subfamily","AGC protein kinase GEK subfamily","TKL protein kinase LIMK subfamily","STE
 protein kinase MST subfamily","AGC protein kinase ROCK subfamily","AGC protein kinase PKC delta subfamily","Ion channel",Transferase,"Voltage-gated ion channel","Potassium channels","Voltage-gated po
tassium channel","TKL protein kinase STKR family","AGC protein kinase PDK1 subfamily","Tyrosine protein kinase Ret family","Tyrosine protein kinase Tec family","TKL protein kinase STKR1"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type II RTKs: Insulin receptor family",Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmo
dulin-dependent protein kinases","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CK1: Casein kinase 1","Other protein kinases","CAMK-like
 (CAMKL) family","Protein kinase D (PKD) family","RSK family","DMPK family","TKL: Tyrosine kinase-like","STE20 family","Casein kinase 1 (CK1) family","Protein kinase C (PKC) family","Aurora kinase (Au
r) family","CHK1 subfamily","p70 subfamily","MARK subfamily","GEK subfamily","LIM domain kinase (LISK) family","Non-receptor tyrosine kinases (nRTKs)","MST subfamily","Rho kinase","Polo-like kinase (P
LK) family","Delta subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type IV RTKs: VEGF (vascular endothelial growth fact
or) receptor family","LIMK subfamily","Src family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Ion channels","Voltage-g
ated ion channels","Lipid modifying kinases","Potassium channels","PDK1 family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Voltage-gated potassium channels","Receptor serine/threonine ki
nase (RSTK) family","Type I receptor serine/threonine kinases","Type XIV RTKs: RET","Tec family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Intracellular signaling by second messengers","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","PIP3 activates AKT s
ignaling","IGF1R signaling cascade","Negative regulation of the PI3K/AKT network","IRS-related events triggered by IGF1R",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling",Disease,"Gene expression (Tra
nscription)",Metabolism,"Developmental Biology","Neuronal System","Cell Cycle","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Met
abolism of lipids","MTOR signalling","Nervous system development","Infectious disease","Transmission across Chemical Synapses","Signaling by Hippo",Mitotic,"Signaling by KIT in disease","Generic Trans
cription Pathway","Signaling by Insulin receptor","Signaling by VEGF","Sphingolipid metabolism","mTORC1-mediated signalling","Oncogenic MAPK signaling","Axon guidance","HIV Infection","Signaling by FG
FR in disease","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by NTRKs","Mitotic G2-G2/M phases","Leishmania infection","DAG and IP3 signaling","M Phase","Regulation of m
itotic cell cycle","Drug resistance of KIT mutants","Transcriptional Regulation by TP53","Insulin receptor signalling cascade","VEGF ligand-receptor interactions","Sphingolipid de novo biosynthesis","
Signaling by RAS mutants","Semaphorin interactions","VEGFA-VEGFR2 Pathway","Host Interactions of HIV factors","Signaling by FGFR1 in disease","Activation of NMDA receptors and postsynaptic events","Tr
anscriptional regulation by RUNX1","Signaling by NTRK1 (TRKA)","G2/M Transition","Leishmania parasite growth and survival","Transcriptional Regulation by VENTX","CaM pathway","Mitotic Metaphase and An
aphase","APC/C-mediated degradation of cell cycle proteins","Dasatinib-resistant KIT mutants","Regulation of TP53 Activity","IRS-mediated signalling","VEGF binds to VEGFR leading to receptor dimerizat
ion","Signaling downstream of RAS mutants","Sema4D in semaphorin signaling","VEGFR2 mediated cell proliferation","The role of Nef in HIV-1 replication and disease pathogenesis","FGFR1 mutant receptor 
activation","Post NMDA receptor activation events","RUNX1 regulates transcription of genes involved in BCR signaling","Signalling to ERKs","Centrosome maturation","Anti-inflammatory response favouring
 Leishmania parasite infection","Calmodulin induced events","Mitotic Anaphase","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity through Phosp
horylation","PI3K Cascade","Regulation of TP53 Expression and Degradation","Sema4D induced cell migration and growth-cone collapse","Nef-mediates down modulation of cell surface receptors by recruitin
g them to clathrin adapters","Signaling by activated point mutants of FGFR1","Long-term potentiation","Signalling to RAS","Loss of proteins required for interphase microtubule organization from the ce
ntrosome","FCGR3A-mediated IL10 synthesis","Separation of Sister Chromatids","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Degradation","Nef Mediated CD4 Down-regulation",
"p38MAPK events","Loss of Nlp from mitotic centrosomes","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","APC-Cdc20 mediated degradation of Nek
2A","Muscle contraction","Signaling by GPCR","Cardiac conduction","Phospholipid metabolism","Signaling by FGFR","GPCR downstream signalling","Signaling by PDGFR in disease","Phase 3 - rapid repolarisa
tion","PI Metabolism","Signaling by FGFR4","G alpha (q) signalling events","Drug resistance of PDGFR mutants","Signaling by FGFR2 in disease","RET signaling","Parasite infection","Synthesis of PIPs at
 the plasma membrane","Downstream signaling of activated FGFR4","Gastrin-CREB signalling pathway via PKC and MAPK","Imatinib-resistant PDGFR mutants","FGFR2 mutant receptor activation","Leishmania pha
gocytosis","FRS-mediated FGFR4 signaling","EGFR Transactivation by Gastrin","Activated point mutants of FGFR2","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{IGF1R,INSR}

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

> <synonyms>
{NVP-ADW742,NVPADW742,475488-23-4,475488234,ADW-742,ADW742,475489-15-7,475489157,UNII-MXS2N5862L,UNIIMXS2N5862L,CHEMBL399021,cis-NVP-ADW742,cisNVPADW742,"GSK 621659A",MXS2N5862L,C28H31N5O,GSK-552602A,
GSK552602A,Kinome_2540,Kinome2540,Kinome-2540,"Kinome 2540",SCHEMBL95142,cc-532,cc532,"NVP ADW 742",NVP-ADW742/,NVPADW742/,SCHEMBL1983470,SCHEMBL1983472,CHEMBL1988370,DTXSI,S1088}

> <pdid>
PD003523

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

> <classes>
{}

> <pubchem_cids>
{9825149}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 33 37  0  0  1  0            999 V2000
   -0.3991  -13.3044    0.0000 C   0  0
    1.0960  -13.4245    0.0000 C   0  0
    1.9490  -12.1896    0.0000 N   0  0
    3.4443  -12.3076    0.0000 C   0  0
    4.2942  -11.0717    0.0000 C   0  0
    3.6488   -9.7176    0.0000 N   0  0
    2.1534   -9.5996    0.0000 C   0  0
    1.3035  -10.8356    0.0000 C   0  0
    4.4967   -8.4792    0.0000 C   0  0
    3.8490   -7.1253    0.0000 C   0  0
    4.6946   -5.8864    0.0000 C   0  0
    4.0445   -4.5346    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.7031   -5.6606    0.0000 C   0  0
    2.3532   -7.0124    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 N   0  0
   -3.8990   -0.7455    0.0000 C   0  0  2  0  0  0
   -3.8964    0.7545    0.0000 C   0  0
   -5.2003   -1.4932    0.0000 C   0  0
   -6.4994   -0.7433    0.0000 C   0  0
   -7.7985   -1.4932    0.0000 C   0  0
   -7.7985   -2.9932    0.0000 C   0  0
   -6.4995   -3.7433    0.0000 C   0  0
   -5.2004   -2.9933    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  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  1
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 22 32  2  0
 32 18  1  0
 32 33  1  0
 33 16  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13755

> <plate>
PLATE 001

> <well>
F5

> <supplier_cmpd_name>
AEE788

> <ctcr_id>
7140

> <supplier_cmpd_id>
T2116

> <smiles>
CCN1CCN(CC1)Cc2ccc(cc2)c3[nH]c4ncnc(N[C@H](C)c5ccccc5)c4c3

> <pd_targets>
{RET,EGFR,KDR,ERBB2,ERBB3,ERBB4,FLT1,YES1}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type XIV RTKs: RET","Type I RTKs: ErbB (epidermal 
growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Src family"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction","Neuronal System",Disease,"Nervous system development","Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","Transmission across Chemical Synapse
s","Infectious disease","Axon guidance","GPCR downstream signalling","Signaling by VEGF","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania infection","RET signaling","G alp
ha (q) signalling events","VEGFA-VEGFR2 Pathway","Activation of NMDA receptors and postsynaptic events","VEGF ligand-receptor interactions","Leishmania parasite growth and survival","Semaphorin intera
ctions","Gastrin-CREB signalling pathway via PKC and MAPK","VEGFR2 mediated cell proliferation","Post NMDA receptor activation events","VEGF binds to VEGFR leading to receptor dimerization","Anti-infl
ammatory response favouring Leishmania parasite infection","Sema4D in semaphorin signaling","EGFR Transactivation by Gastrin","Long-term potentiation","FCGR3A-mediated IL10 synthesis","Sema4D induced 
cell migration and growth-cone collapse"}

> <broad_targets>
{EGFR,ERBB2,ERBB4,FGFR2,FGFR3,KDR}

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

> <synonyms>
{"EE788 (NVPAEE788",497839-62-0,497839620,AEE788,AEE-788,"AEE 788",NVP-AEE788,NVPAEE788,"AEE788 (NVP-AEE788)","AEE788 (NVPAEE788)",UNII-F9JLR95I3I,UNIIF9JLR95I3I,GNF-Pf-5343,GNFPf5343,F9JLR95I3I,NVP-A
EE-788,C27H32N6,AEE,cc-434,cc434,MLS006011277,SCHEMBL613756,CHEMBL587723,GTPL7643,BDBM26105,CHEBI:40629,AEE788/,"AEE788; NVP-","AEE788; NVP",S1486}

> <pdid>
PD011169

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

> <classes>
{}

> <pubchem_cids>
{10297043}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    7.5955   -3.5619    0.0000 C   0  0
    6.5954   -4.6799    0.0000 C   0  0
    5.1272   -4.3728    0.0000 C   0  0
    4.6589   -2.9478    0.0000 C   0  0
    5.6590   -1.8298    0.0000 C   0  0
    7.1272   -2.1368    0.0000 N   0  0
    3.1905   -2.6376    0.0000 C   0  0
    2.7248   -1.2135    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Cl  0  0
    2.7248    1.2135    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    9.0651   -3.8660    0.0000 N   0  0
   10.0641   -2.7460    0.0000 C   0  0
   11.5338   -3.0502    0.0000 C   0  0
   12.5339   -1.9322    0.0000 C   0  0
   14.0021   -2.2392    0.0000 N   0  0
   14.4704   -3.6642    0.0000 C   0  0
   13.4704   -4.7823    0.0000 C   0  0
   12.0021   -4.4753    0.0000 C   0  0
   15.9394   -3.9714    0.0000 C   0  0
   16.9401   -2.8540    0.0000 F   0  0
   16.4072   -5.3966    0.0000 F   0  0
   17.4075   -4.2791    0.0000 F   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 13 15  1  0
 10 16  1  0
 16 17  1  0
 17  8  2  0
  1 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13756

> <plate>
PLATE 001

> <well>
F6

> <supplier_cmpd_name>
Pexidartinib

> <ctcr_id>
11948

> <supplier_cmpd_id>
T2115

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

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

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

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

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

> <broad_targets>
{CSF1R,FLT3,KIT}

> <broad_moa>
{"tyrosine kinase inhibitor"}

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

> <pdid>
PD012397

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

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

> <pubchem_cids>
{25151352}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
    1.2954    5.2529    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    2.5981    3.0050    0.0000 N   0  0
   -2.6035    5.9971    0.0000 C   0  0
   -3.9026    5.2472    0.0000 C   0  0
   -5.2017    5.9972    0.0000 C   0  0
   -5.2017    7.4972    0.0000 C   0  0
   -3.9026    8.2472    0.0000 C   0  0
   -3.9027    9.7472    0.0000 O   0  0
   -2.6036    7.4972    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10  3  1  0
 10 11  1  0
 11 12  1  0
  5 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 15 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 20  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13757

> <plate>
PLATE 001

> <well>
F7

> <supplier_cmpd_name>
K 02288

> <ctcr_id>
7932

> <supplier_cmpd_id>
T1914

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

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

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","TKL protein kinase STKR family","TKL protein kinase STKR1","TKL protein kinase STKR Type 1 subfamily"}

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

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

> <broad_targets>
{BMP1}

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

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

> <pdid>
PD010338

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{46173038}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    7.6994    4.5206    0.0000 C   0  0
    6.1994    4.5163    0.0000 N   0  0
    5.3212    3.3003    0.0000 N   0  0
    3.8941    3.7597    0.0000 C   0  0
    2.5972    3.0060    0.0000 C   0  0
    1.2961    3.7523    0.0000 C   0  0
    1.2918    5.2523    0.0000 C   0  0
    2.5887    6.0060    0.0000 C   0  0
    3.8898    5.2597    0.0000 C   0  0
    5.3143    5.7273    0.0000 C   0  0
    5.7736    7.1552    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -0.0014    1.5008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 N   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -5.1977    2.9828    0.0000 N   0  0
   -5.1903    1.4820    0.0000 C   0  0
   -6.4841    0.7230    0.0000 C   0  0
   -6.4738   -0.7770    0.0000 C   0  0
   -5.1696   -1.5180    0.0000 C   0  0
   -5.1592   -3.0180    0.0000 C   0  0
   -3.8757   -0.7590    0.0000 C   0  0
   -3.8861    0.7409    0.0000 C   0  0
   -2.5708   -1.5004    0.0000 S   0  0
   -1.2773   -0.7410    0.0000 N   0  0
   -2.5595   -3.0004    0.0000 O   0  0
   -1.2663   -2.2408    0.0000 O   0  0
   -2.6005    2.9949    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9  4  1  0
  9 10  2  0
 10  2  1  0
 10 11  1  0
  6 12  1  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 20  1  0
 25 27  1  0
 27 28  1  0
 27 29  2  0
 27 30  2  0
 18 31  2  0
 31 14  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13758

> <plate>
PLATE 001

> <well>
F8

> <supplier_cmpd_name>
Pazopanib

> <ctcr_id>
2306

> <supplier_cmpd_id>
T0097L

> <smiles>
Cn1nc2cc(ccc2c1C)N(C)c3ccnc(Nc4ccc(C)c(c4)[S](N)(=O)=O)n3

> <pd_targets>
{RET,ABL1,ABL2,JAK3,MAPK10,DDR2,LCK,EIF2AK2,PTK6,RAF1,MAP4K2,FGR,FYN,MYLK2,ROS1,STK36,PLK4,MAP2K4,EPHB6,FGFR3,MAP3K11,TXK,LIMK1,MAP3K10,CAMK1G,LIMK2,STK10,KIT,FLT4,FGFR1,FLT1,CDK16,PDGFRB,FRK,TNIK,MAP
K8,NEK2,DDR1,TGFBR2,KDR,MAP4K1,MAP4K3,BMP2K,MAP2K6,CDK11A,MAP3K9,LYN,FLT3,PI4KB,RIPK1,BLK,AURKC,SIK1,TIE1,ACHE,IGF1R,JAK2,GAK,RIOK2,ALK,FER,FGFR2,RIPK2,BRAF,CAMK1,NLK,TTK,PDGFRA,AAK1,ACVR2B,FGFR4,YES1
,MAP3K2,SYK,PTK2,EGFR,CSF1R,CDPK1,MERTK,STK16,MAP4K4,MAP4K5,CDK11B,PIP5K1C,PIP4K2C,MAP3K19,IRAK3,MET,BMPR1B,CDK7,TNK1,TAOK3,TAOK2,MAPK9,FES,HCK,TAOK1,LTK,IRAK1,TYK2,AURKA,TEK,MARK3,AURKB,MAP3K1,MAP2K5
,SRC,SRMS,SIK2,SLK,TNK2,NEK5,ABCB11,ABCC4,ITK,FGF1,SH2B3}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Transporter,"Secreted protein",Kinase,Transferase,Hydrolase,"Primary active transporter","Protein Kinase","ATP-binding cassette","TK protein kinase group","CMGC protein 
kinase group","Other protein kinase group","TKL protein kinase group","STE protein kinase group","CAMK protein kinase group","Atypical protein kinase group","ABCB subfamily","ABCC subfamily","Tyrosine
 protein kinase Ret family","Tyrosine protein kinase Abl family","Tyrosine protein kinase JakA family","CMGC protein kinase MAPK family","Tyrosine protein kinase DDR family","Tyrosine protein kinase S
rc family","Other protein kinase PEK family","TKL protein kinase RAF family","STE protein kinase STE20 family","CAMK protein kinase MLCK family","Tyrosine protein kinase Sev family","Other protein kin
ase ULK family","Other protein kinase PLK family","STE protein kinase STE7 family","Tyrosine protein kinase FGFR family","TKL protein kinase MLK family","Tyrosine protein kinase Tec family","TKL prote
in kinase LISK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase VEGFR family","CMGC protein kinase CDK family","Other protein kinase NEK famil
y","TKL protein kinase STKR family","Other protein kinase NAK family","TKL protein kinase RIPK family","Other protein kinase AUR family","Tyrosine protein kinase Tie family","Tyrosine protein kinase I
nsR family","Atypical protein kinase RIO family","Tyrosine protein kinase Fer family","Other protein kinase TTK family","STE protein kinase STE11 family","Tyrosine protein kinase Syk family","Tyrosine
 protein kinase Fak family","Tyrosine protein kinase Axl family","TKL protein kinase IRAK family","Tyrosine protein kinase Met family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Alk
 family","CMGC protein kinase JNK subfamily","Other protein kinase PKR","STE protein kinase KHS subfamily","Tyrosine protein kinase SrcA","TKL protein kinase MLK subfamily","TKL protein kinase LIMK su
bfamily","STE protein kinase SLK subfamily","CMGC protein kinase TAIRE subfamily","STE protein kinase MSN subfamily","TKL protein kinase STKR Type 2 subfamily","CMGC protein kinase PITSLRE subfamily",
"CAMK protein kinase QIK subfamily","Atypical protein kinase RIO2 subfamily","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase nmo subfamily","STE protein kinase MEKK2","CMGC protein kin
ase CDK7 subfamily","STE protein kinase TAO subfamily","CAMK protein kinase MARK subfamily","Tyrosine protein kinase Srm"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Catalytic receptors","Kinases (EC 2.7.x.x)","Acetylcholine turnover","ATP-binding cassette transporter family","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK
 families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kinases","Lipid modifying kinases",Atypical,"ABCB subfamily","ABCC subfamily
","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Other protein kinases","TKL: Tyrosine kinase-like","STE20 family","Myosin Light Chain Kinase (MLCK) family","STE7 family","CA
MK1 family","Cyclin-dependent kinase (CDK) family","1-phosphatidylinositol 4-kinase family","CAMK-like (CAMKL) family","RIO family","STE11 family","Type I PIP kinases (1-phosphatidylinositol-4-phospha
te 5-kinase family)","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","JNK subfamily","PEK family",
"RAF family","KHS subfamily","Unc-51-like kinase (ULK) family","Polo-like kinase (PLK) family","Mixed Lineage Kinase (MLK) family","LIM domain kinase (LISK) family","SLK subfamily","TAIRE subfamily","
MSN subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","Receptor serine/threonine kinase (RSTK) family","Numb-associated kinase (NAK) family","PITSLRE subfamily","Receptor intera
cting protein kinase (RIPK) family","Aurora kinase (Aur) family","QIK subfamily","RIO2 subfamily","nmo subfamily","TTK family","NAK family","STE20 subfamily","Interleukin-1 receptor-associated kinase 
(IRAK) family","CDK7 subfamily","TAO subfamily","MARK subfamily","Type XIV RTKs: RET","Abl family","Janus kinase (JakA) family","Type XVI RTKs: DDR (collagen receptor) family","Src family","Other PEK 
family kinases","Type XVII RTKs: ROS receptors","Type XIII RTKs: Ephrin receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","MLK subfamily","Tec family","LIMK subfamily","Ty
pe III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type II receptor serine/threonine kinases","Type XII RTKs: TIE family of 
angiopoietin receptors","Type II RTKs: Insulin receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Fer family","Syk family","Fak family","Type XI RTKs: TAM (TYRO3-","AXL
- and MER-TK) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type I receptor serine/threonine kinases","Ack family"}

> <pathway_reactome>
{"Developmental Biology",Disease,"Immune System","Extracellular matrix organization","Cell Cycle","Signal Transduction","Cellular responses to external stimuli","Gene expression (Transcription)",Metab
olism,"Circadian Clock","Vesicle-mediated transport","Metabolism of RNA","Neuronal System",Hemostasis,"Nervous system development","Infectious disease","Cytokine Signaling in Immune system","Innate Im
mune System","Non-integrin membrane-ECM interactions",Mitotic,"MAPK family signaling cascades","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor
 Tyrosine Kinases","Intracellular signaling by second messengers","Cellular responses to stress","RNA Polymerase II Transcription","Metabolism of lipids","Membrane Trafficking","rRNA processing","Tran
smission across Chemical Synapses","Signaling by WNT","Signaling by NODAL","Cell surface interactions at the vascular wall","Signaling by TGFB family members","Signaling by Non-Receptor Tyrosine Kinas
es","Platelet activation","signaling and aggregation","Adaptive Immune System","Axon guidance","Leishmania infection","Signaling by Interleukins","Toll-like Receptor Cascades","HIV Infection","Influen
za Infection","Mitotic G1 phase and G1/S transition","MAPK1/MAPK3 signaling","Mitotic G2-G2/M phases","Signaling by FGFR in disease","Oncogenic MAPK signaling","Fc epsilon receptor (FCERI) signaling",
"Neutrophil degranulation","Signaling by KIT in disease","Signaling by VEGF","PIP3 activates AKT signaling","Cellular Senescence","Regulation of mitotic cell cycle","Signaling by TGF-beta Receptor Com
plex in Cancer","Generic Transcription Pathway","Signaling by Insulin receptor","Phospholipid metabolism","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","trans-Golgi Network Vesic
le Budding","rRNA processing in the nucleus and cytosol","Signaling by SCF-KIT","Signaling by NTRKs","Neurotransmitter receptors and postsynaptic signal transmission","Beta-catenin independent WNT sig
naling","Signaling by PDGFR in disease","Clathrin-mediated endocytosis","Regulation of signaling by NODAL","Signaling by FGFR","Signaling by BMP","M Phase","Interferon Signaling","Signaling by PTK6","
Metabolism of steroids","Response to elevated platelet cytosolic Ca2+","TCR signaling","FLT3 Signaling","RET signaling","Parasite infection","Signaling by ROBO receptors","Interleukin-2 family signali
ng","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","NS1 Mediated Effects on Host Pathways","G1 Phase","RAF/MAP kinase cascade","Leishmania parasite growth and survival","G2/M
 Transition","EPH-Ephrin signaling","Signaling by FGFR3 in disease","Signaling by RAS mutants","FCERI mediated Ca+2 mobilization","Semaphorin interactions","Drug resistance of KIT mutants","VEGF ligan
d-receptor interactions","Signaling by FGFR1 in disease","Negative regulation of the PI3K/AKT network","PTEN Regulation","Oxidative Stress Induced Senescence","APC/C-mediated degradation of cell cycle
 proteins","Loss of Function of SMAD2/3 in Cancer","VEGFA-VEGFR2 Pathway","Transcriptional Regulation by TP53","Insulin receptor signalling cascade","PI Metabolism","Toll Like Receptor 4 (TLR4) Cascad
e","Transcriptional regulation by RUNX1","Glycerophospholipid biosynthesis","IGF1R signaling cascade","Golgi Associated Vesicle Biogenesis","Major pathway of rRNA processing in the nucleolus and cytos
ol","Signaling by FGFR2 in disease","Signaling by NTRK1 (TRKA)","Activation of NMDA receptors and postsynaptic events","Ca2+ pathway","Drug resistance of PDGFR mutants","Cargo recognition for clathrin
-mediated endocytosis","Signaling by FGFR4","Transcriptional Regulation by VENTX","Toll Like Receptor 2 (TLR2) Cascade","HIV Life Cycle","Mitotic Metaphase and Anaphase","Interferon alpha/beta signali
ng","PTK6 Down-Regulation","Bile acid and bile salt metabolism","Platelet degranulation","Generation of second messenger molecules","Negative regulation of FLT3","Leishmania phagocytosis","Role of ABL
 in ROBO-SLIT signaling","Interleukin-15 signaling","MyD88 cascade initiated on plasma membrane","The role of Nef in HIV-1 replication and disease pathogenesis","Inhibition of PKR","Cyclin D associate
d events in G1","Negative regulation of MAPK pathway","Anti-inflammatory response favouring Leishmania parasite infection","Centrosome maturation","EPHB-mediated forward signaling","Signaling by FGFR3
 point mutants in cancer","Signaling downstream of RAS mutants","Sema4D in semaphorin signaling","Dasatinib-resistant KIT mutants","VEGF binds to VEGFR leading to receptor dimerization","FGFR1 mutant 
receptor activation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Regulation of PTEN stability and activity","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","SMAD2/
3 Phosphorylation Motif Mutants in Cancer","VEGFR2 mediated cell proliferation","Regulation of TP53 Activity","IRS-mediated signalling","Synthesis of PIPs at the Golgi membrane","MyD88-independent TLR
4 cascade","RUNX1 regulates transcription of genes involved in BCR signaling","Synthesis of PC","IRS-related events triggered by IGF1R","FGFR2 mutant receptor activation","Signalling to ERKs","Post NM
DA receptor activation events","Imatinib-resistant PDGFR mutants","Downstream signaling of activated FGFR4","SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion","Toll Like Receptor TLR6
:TLR2 Cascade","Late Phase of HIV Life Cycle","CRMPs in Sema3A signaling","Mitotic Anaphase","Regulation of IFNA signaling","Signalling to ERK5","Synthesis of bile acids and bile salts","FCGR3A-mediat
ed phagocytosis","MAP kinase activation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Negative feedback regulation of MAPK pathway","FCGR3A-mediate
d IL10 synthesis","Nef and signal transduction","Loss of proteins required for interphase microtubule organization from the centrosome","FGFR3 mutant receptor activation","Sema4D induced cell migratio
n and growth-cone collapse","Signaling by activated point mutants of FGFR1","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity through Acetylation","Recruitment of mit
otic centrosome proteins and complexes","PI3K Cascade","TRIF(TICAM1)-mediated TLR4 signaling","Activated point mutants of FGFR2","Prolonged ERK activation events","Activation of RAC1 downstream of NMD
ARs","FRS-mediated FGFR4 signaling","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Sema4D mediated inhibition of cell attachment and migration","Transcription of the HIV genome","Separation 
of Sister Chromatids","Regulation of TP53 Activity through Phosphorylation","Signalling to RAS","Synthesis of bile acids and bile salts via 7alpha-hydroxycholesterol","MAPK targets/ Nuclear events med
iated by MAP kinases","Nef Mediated CD4 Down-regulation","Loss of Nlp from mitotic centrosomes","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Signaling by act
ivated point mutants of FGFR3","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","PI5P Regulates TP53 Acetylation","IKK complex recruitment medi
ated by RIP1","activated TAK1 mediates p38 MAPK activation","ARMS-mediated activation","HIV Transcription Elongation","p38MAPK events","Activation of the AP-1 family of transcription factors","APC-Cdc
20 mediated degradation of Nek2A","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{CSF1R,FGF1,FGFR1,FGFR3,FLT1,FLT4,ITK,KDR,KIT,PDGFRA,PDGFRB,SH2B3}

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

> <synonyms>
{Pazopanib,444731-52-6,444731526,GW786034,UNII-7RN5DR86CK,UNII7RN5DR86CK,"Pazopanib (GW-786034)","Pazopanib (GW786034)","GW 786034",790713-33-6,790713336,7RN5DR86CK,"GW 78603",CHEBI:71219,MFCD11616589
,NCGC00188865-01,NCGC0018886501,DSSTox_CID_28659,DSSToxCID28659,DSSTox-CID-28659,"DSSTox CID 28659",DSSTox_RID_82929,DSSToxRID82929,DSSTox-RID-82929,"DSSTox RID 82929",DSSTox_GSID_48733,DSSToxGSID4873
3,DSSTox-GSID-48733,"DSSTox GSID 48733",GW-786034,C21H23N7O2S,CAS-444731-52,CAS44473152,T0097L,SY-Pazopanib,"Pazopanib (GW786034, Votrient)",PAZOPANIB}

> <pdid>
PD003339

> <targets>
{VEGFR,"VEGFR KIT PDGFR"}

> <classes>
{}

> <pubchem_cids>
{10113978}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
   -0.6923   -4.0811    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 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
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 C   0  0
    1.2934    3.7495    0.0000 C   0  0
    1.2883    5.2495    0.0000 C   0  0
    2.5847    6.0040    0.0000 C   0  0
    3.8863    5.2585    0.0000 C   0  0
    3.8915    3.7585    0.0000 C   0  0
    5.1932    3.0131    0.0000 C   0  0
   -0.0126    5.9981    0.0000 C   0  0
   -1.3103    5.2459    0.0000 O   0  0
   -0.0156    7.4989    0.0000 N   0  0
   -1.3164    8.2475    0.0000 C   0  0
   -1.3217    9.7475    0.0000 C   0  0
   -2.6233   10.4931    0.0000 C   0  0
   -3.9197    9.7386    0.0000 C   0  0
   -3.9146    8.2386    0.0000 C   0  0
   -2.6130    7.4931    0.0000 C   0  0
   -5.2117    7.4838    0.0000 C   0  0
   -6.5138    8.2285    0.0000 F   0  0
   -5.2061    5.9838    0.0000 F   0  0
   -6.5078    6.7287    0.0000 F   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 N   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 10 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 22 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
  6 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31  2  1  0
 31  5  1  0
 29 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 32  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13759

> <plate>
PLATE 001

> <well>
F9

> <supplier_cmpd_name>
NVP-BHG712

> <ctcr_id>
6320

> <supplier_cmpd_id>
T6348

> <smiles>
Cn1ncc2c(Nc3cc(ccc3C)C(=O)Nc4cccc(c4)C(F)(F)F)nc(nc12)c5cccnc5

> <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>
{EPHB4}

> <broad_moa>
{"ephrin inhibitor"}

> <synonyms>
{NVP-BHG712,NVPBHG712,940310-85-0,940310850,DXH,cc-540,cc540,MLS006011050,NVP-BHG712/,NVPBHG712/,BHG712,SCHEMBL4699731,CHEMBL3752910,C26H20F3N7O,CHEBI:91447,"BHG 712",BHG-712,DTXSID90587779,EX-A160,EX
A160,QCR-258,QCR258,HMS3655D10,HMS3672C11,HMS3747I03,BCP02362,ABP000887,HY-13258A,HY13258A,MFCD20272,T6348,S2202}

> <pdid>
PD010828

> <targets>
{VEGFR,Src,Raf,Bcr-Abl,"Ephrin receptor"}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{16747388}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 18 18  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Br  0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -1.3101    6.7502    0.0000 N   0  0
   -2.6024    2.9967    0.0000 C   0  0
   -3.9001    2.2444    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11  5  1  0
 11 12  1  0
  7 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  3  0
 14 17  1  0
 17 18  3  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13760

> <plate>
PLATE 001

> <well>
F10

> <supplier_cmpd_name>
AG1024

> <ctcr_id>
6612

> <supplier_cmpd_id>
T2693

> <smiles>
CC(C)(C)c1cc(cc(Br)c1O)C=C(C#N)C#N

> <pd_targets>
{IGF1R,CISD1}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","IGF1R signaling cascade","IRS-related events triggered by IGF1R"}

> <broad_targets>
{IGF1R}

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

> <synonyms>
{567807,65678-07-1,65678071,ag1024,AG-1024,AG1024,"Tyrphostin AG 1024","AG 1024",2-(3-bromo-5-tert-butyl-4-hydroxybenzylidene)malononitrile,2(3bromo5tertbutyl4hydroxybenzylidene)malononitrile,2-(3-Bro
mo-5-(tert-butyl)-4-hydroxybenzylidene)malononitrile,2(3Bromo5(tertbutyl)4hydroxybenzylidene)malononitrile,2-((3-bromo-5-tert-butyl-4-hydroxyphenyl)methylidene)propanedinitri,2((3bromo5tertbutyl4hydro
xyphenyl)methylidene)propanedinitri,T2693,"EMD 121767",121767}

> <pdid>
PD011045

> <targets>
{Apoptosis,IGF-1R,Insulin Receptor}

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

> <pubchem_cids>
{2044}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0875    3.7680    0.0000 O   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Br  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 11  1  0
  9 19  2  0
 19  5  1  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13761

> <plate>
PLATE 001

> <well>
F11

> <supplier_cmpd_name>
WHI-P154

> <ctcr_id>
1254

> <supplier_cmpd_id>
T1985

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

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

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

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

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

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

> <broad_moa>
{"JAK inhibitor"}

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

> <pdid>
PD010538

> <targets>
{JAK,EGFR}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{3795}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
   -8.9814   -2.9992    0.0000 C   0  0
   -7.5416   -3.4196    0.0000 O   0  0
   -7.1846   -4.8774    0.0000 C   0  0
   -8.2701   -5.9126    0.0000 C   0  0
   -7.9164   -7.3703    0.0000 C   0  0
   -9.0046   -8.4038    0.0000 N   0  0
   -8.6534   -9.8621    0.0000 C   0  0
  -10.4441   -7.9791    0.0000 C   0  0
  -11.5323   -9.0126    0.0000 C   0  0
  -12.9718   -8.5878    0.0000 N   0  0
  -14.0594   -9.6208    0.0000 C   0  0
  -13.3230   -7.1295    0.0000 C   0  0
   -6.4771   -7.7928    0.0000 C   0  0
   -6.1201   -9.2506    0.0000 N   0  0
   -4.6795   -9.6712    0.0000 C   0  0
   -3.5958   -8.6341    0.0000 O   0  0
   -4.3225  -11.1290    0.0000 C   0  0
   -2.8827  -11.5494    0.0000 C   0  0
   -5.3916   -6.7576    0.0000 C   0  0
   -5.7452   -5.2998    0.0000 C   0  0
   -4.6570   -4.2663    0.0000 N   0  0
   -3.2175   -4.6910    0.0000 C   0  0
   -2.8628   -6.1485    0.0000 N   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 N   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    3.8805   -1.4410    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  5 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 13 19  1  0
 19 20  2  0
 20  3  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
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 28  1  0
 37 32  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13762

> <plate>
PLATE 001

> <well>
G2

> <supplier_cmpd_name>
Osimertinib

> <ctcr_id>
8367

> <supplier_cmpd_id>
T2490

> <smiles>
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2nccc(n2)c3cn(C)c4ccccc34

> <pd_targets>
{EGFR,INSR,KCNH2,GSC2,CTSC,ERBB2,ERBB3,ERBB4,REP,ALK,EML4}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel",Transferase,Protease,"Protein Kinase","Potassium channels","Cysteine protease","TK protein kinase group","Voltage-gated potassium channel","Cys
teine protease CA clan","TKL protein kinase group","Tyrosine protein kinase EGFR family","Tyrosine protein kinase InsR family","Cysteine protease C1A family","TKL protein kinase STKR family","TKL prot
ein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"Other protein targets","Catalytic receptors","Voltage-gated ion channels","Peptidases and proteinases","Anti-infective targets","Receptor kinases","Potassium channel
s","CA: Cysteine (C) Peptidases","Viral protein targets","TK: Tyrosine kinase","Voltage-gated potassium channels","C1: Papain","Coronavirus (CoV) proteins","Receptor tyrosine kinases (RTKs)","Type I R
TKs: ErbB (epidermal growth factor) receptor family","Type II RTKs: Insulin receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Muscle contraction","Metabolism of proteins",Disease,"Signaling by GPCR","Intracellular signaling by second messengers","Cardiac conduction","Post-translational protein modific
ation","Infectious disease","GPCR downstream signalling","PIP3 activates AKT signaling","Phase 3 - rapid repolarisation","Asparagine N-linked glycosylation","SARS-CoV Infections","G alpha (q) signalli
ng events","Negative regulation of the PI3K/AKT network","Transport to the Golgi and subsequent modification","SARS-CoV-2 Infection","Gastrin-CREB signalling pathway via PKC and MAPK",PI5P,"PP2A and I
ER3 Regulate PI3K/AKT Signaling","ER to Golgi Anterograde Transport","SARS-CoV-2 Genome Replication and Transcription","EGFR Transactivation by Gastrin","Cargo concentration in the ER","Replication of
 the SARS-CoV-2 genome"}

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{AZD-9291,AZD9291,1421373-65-0,1421373650,Mereletinib,"AZD 9291",Tagrisso,UNII-3C06JJ0Z2O,UNII3C06JJ0Z2O,"Osimertinib free base",3C06JJ0Z2O,"1421373-65-0 (free base)","1421373650 (free base)","Merelet
inib (INN)","Osimertinib (USAN)",osimertinibum,Tube720,"Osimertinib; AZD 9291",Osimertinib;,T3634,T2490,779217,"Osimertinib mesylate",Osimertinib}

> <pdid>
PD009249

> <targets>
{EGFR}

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

> <pubchem_cids>
{71496458}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    5.1965   -1.5117    0.0000 C   0  0
    3.8999   -0.7576    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    7.7905   -6.0071    0.0000 O   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    1.2941   -3.7520    0.0000 C   0  0
    1.2894   -5.2521    0.0000 C   0  0
   -0.0120   -5.9981    0.0000 C   0  0
   -1.3087   -5.2440    0.0000 C   0  0
   -2.6123   -5.9877    0.0000 O   0  0
   -3.9086   -5.2314    0.0000 C   0  0
   -5.2123   -5.9751    0.0000 C   0  0
   -6.5086   -5.2188    0.0000 N   0  0
   -7.8115   -5.9621    0.0000 C   0  0
   -1.3040   -3.7440    0.0000 C   0  0
   -0.0027   -2.9981    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  3
  9  4  1  0
  3 10  2  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14 15  1  0
 14 16  1  0
 16 17  2  3
 17 11  1  0
 10 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 21 27  1  0
 27 28  2  3
 28 18  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13763

> <plate>
PLATE 001

> <well>
G3

> <supplier_cmpd_name>
Endoxifen Z-isomer

> <ctcr_id>
11279

> <supplier_cmpd_id>
T2280

> <smiles>
CC/C(C1=CC=CC=C1)=C(C2=CC=C(O)C=C2)/C3=CC=C(OCCNC)C=C3

> <pd_targets>
{CYP19A1}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450","Cytochrome P450 family 19","Cytochrome P450 family 19A","Cytochrome P450 19A1"}

> <pathway_chembl>
{Enzymes,"Cytochrome P450",CYP11,CYP17,CYP19,"CYP20 and CYP21 families"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Cytochrome P450 - arranged by substrate type","Endogenous sterols"}

> <broad_targets>
{ESR1}

> <broad_moa>
{"estrogen receptor antagonist"}

> <synonyms>
{E/Z)ENDOXIFE,Endoxifen,112093-28-4,112093284,Z-Endoxifen,ZEndoxifen,4-Hydroxy-N-desmethyltamoxifen,4HydroxyNdesmethyltamoxifen,(Z)-Endoxifen,(Z)Endoxifen,N-Desmethyl-4-hydroxytamoxifen,NDesmethyl4hyd
roxytamoxifen,110025-28-0,110025280,"Endoxifen free base",UNII-46AF8680RC,UNII46AF8680RC,4OHNDtam,"Endoxifen Z-Isomer","Endoxifen ZIsomer",(E/Z)-Endoxifen,(E/Z)Endoxifen,4-Hydroxy-N-desmethyl-tamoxife
n,C,T4281,T2280,"Endoxifen Z-isomer"}

> <pdid>
PD016536

> <targets>
{ER}

> <classes>
{Endocrinology/Hormones}

> <pubchem_cids>
{10090750}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
    1.2948   -3.7516    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1950   -3.0115    0.0000 C   0  0
    6.4915   -3.7659    0.0000 C   0  0
    6.4864   -5.2659    0.0000 N   0  0
    5.1848   -6.0115    0.0000 C   0  0
    3.8883   -5.2570    0.0000 C   0  0
    2.5867   -6.0026    0.0000 Cl  0  0
    5.2002   -1.5115    0.0000 Cl  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
   -1.8032    3.1233    0.0000 N   0  0
   -0.3115    2.9665    0.0000 C   0  0
    0.6890    4.0818    0.0000 C   0  0
    0.2234    5.5086    0.0000 C   0  0
    1.2256    6.6258    0.0000 C   0  0
    0.8993    8.0768    0.0000 C   0  0
    2.1985    8.8266    0.0000 N   0  0
    3.3130    7.8227    0.0000 N   0  0
    2.7027    6.4525    0.0000 C   0  0
    2.3585   10.3163    0.0000 C   0  0
    3.7305   10.9245    0.0000 C   0  0
    3.8907   12.4159    0.0000 O   0  0
  2  1  1  1
  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
  4 10  1  0
  2 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  1  0
 19 20  2  0
 20 14  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 23  1  0
 25 28  1  0
 28 29  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13764

> <plate>
PLATE 001

> <well>
G4

> <supplier_cmpd_name>
LY-2874455

> <ctcr_id>
12164

> <supplier_cmpd_id>
T2361

> <smiles>
C[C@H](c1c(cncc1Cl)Cl)Oc1cc2c(cc1)[nH]nc2/C=C/c1cn(nc1)CCO

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

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

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

> <pathway_reactome>
{"Signal Transduction",Disease,"Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by VEGF","Signaling by FGFR in dis
ease","Signaling by FGFR","VEGFA-VEGFR2 Pathway","Signaling by FGFR2 in disease","Signaling by FGFR4","Signaling by FGFR1 in disease","Signaling by FGFR3 in disease","VEGFR2 mediated cell proliferatio
n","FGFR2 mutant receptor activation","Downstream signaling of activated FGFR4","FGFR1 mutant receptor activation","Signaling by FGFR3 point mutants in cancer","Activated point mutants of FGFR2","FRS-
mediated FGFR4 signaling","Signaling by activated point mutants of FGFR1","FGFR3 mutant receptor activation","Signaling by activated point mutants of FGFR3"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Y287445,LY2874455,1254473-64-7,1254473647,LY-2874455,UNII-E9M363811V,UNIIE9M363811V,CHEMBL3828009,"LY 2874455",E9M363811V,C21H19Cl2N5O2,"LY2874455 monohydrate",SCHEMBL298445,SCHEMBL298446,GTPL8104,QC
R-90,QCR90,DTXSID20154776,BCP04756,EX-A1340,EXA1340,2529AH,BDBM50189781,NSC771750,NSC783670,s,T2361}

> <pdid>
PD012905

> <targets>
{FGFR,VEGFR,FGFR1,FGFR2,FGFR3,FGFR4,VEGFR2}

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

> <pubchem_cids>
{46944259}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -3.9069    5.2492    0.0000 N   0  0
   -5.2089    5.9957    0.0000 C   0  0
   -5.3543    7.4758    0.0000 C   0  0
   -6.8231    7.7802    0.0000 C   0  0
   -7.4401    9.1474    0.0000 C   0  0
   -7.5665    6.4774    0.0000 N   0  0
   -6.5572    5.3678    0.0000 N   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4939    0.7411    0.0000 C   0  0
   -6.4894   -0.7597    0.0000 C   0  0
   -7.7864   -1.5148    0.0000 C   0  0
   -7.7841   -3.0149    0.0000 C   0  0
   -9.0819   -3.7670    0.0000 C   0  0
  -10.3821   -3.0191    0.0000 C   0  0
  -10.3846   -1.5191    0.0000 C   0  0
   -9.0867   -0.7670    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 12  2  0
 10 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 19 28  2  0
 28  8  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13765

> <plate>
PLATE 001

> <well>
G5

> <supplier_cmpd_name>
ENMD-2076

> <ctcr_id>
7085

> <supplier_cmpd_id>
T2358

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

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

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

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

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

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD011101

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

> <classes>
{}

> <pubchem_cids>
{16041424}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    4.0497   -4.4250    0.0000 O   0  0
    2.5497   -4.4224    0.0000 C   0  0
    1.7974   -5.7210    0.0000 N   0  0
    2.5451   -7.0223    0.0000 C   0  0
    4.0452   -7.0225    0.0000 C   0  0
    4.7951   -8.3215    0.0000 C   0  0
    4.0450   -9.6205    0.0000 C   0  0
    2.5450   -9.6205    0.0000 C   0  0
    1.7951   -8.3214    0.0000 C   0  0
    0.2943   -8.3245    0.0000 C   0  0
   -0.4580   -7.0267    0.0000 O   0  0
   -0.4543   -9.6253    0.0000 N   0  0
   -1.9551   -9.6284    0.0000 C   0  0
   -2.6226   -8.2769    0.0000 C   0  0
   -4.0850   -7.9432    0.0000 C   0  0
   -5.2577   -8.8785    0.0000 C   0  0
   -5.2577  -10.3785    0.0000 C   0  0
   -4.0849  -11.3137    0.0000 N   0  0
   -2.6225  -10.9798    0.0000 C   0  0
   -1.6931  -12.1572    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 S   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
 10 11  2  0
 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 13  1  0
 19 20  2  0
  2 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 28 29  1  0
 29 21  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13766

> <plate>
PLATE 001

> <well>
G6

> <supplier_cmpd_name>
ANA-12

> <ctcr_id>
12695

> <supplier_cmpd_id>
T2359

> <smiles>
O=C(Nc1ccccc1C(=O)NC1CCCCNC1=O)c1cc2ccccc2s1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{NTRK2}

> <broad_moa>
{"tropomyosin receptor kinase inhibitor"}

> <synonyms>
{NA1,ANA-12,ANA12,219766-25-3,219766253,"ANA 12",N-(2-((2-oxoazepan-3-yl)carbamoyl)phenyl)benzo(b)thiophene-2-carboxamide,N(2((2oxoazepan3yl)carbamoyl)phenyl)benzo(b)thiophene2carboxamide,N-(2-((2-oxo
azepan-3-yl)carbamoyl)phenyl)-1-benzothiophene-2-carboxamide,N(2((2oxoazepan3yl)carbamoyl)phenyl)1benzothiophene2carboxamide,Maybridge1_001394,Maybridge1001394,Maybridge1-001394,"Maybridge1 001394",Op
rea1_341312,Oprea1341312,Oprea1-341312,"Oprea1 341312",CHEMBL4303548,SCHEMBL17493304,HMS545,T2359}

> <pdid>
PD012841

> <targets>
{"Trk receptor",TrkB}

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

> <pubchem_cids>
{2799722}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 38 43  0  0  0  0            999 V2000
    5.5909    0.3358    0.0000 C   0  0
    4.1081    0.5621    0.0000 O   0  0
    3.1695   -0.6090    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.2990   -2.9545    0.0000 C   0  0
    2.7822   -3.1780    0.0000 C   0  0
    3.7175   -2.0053    0.0000 C   0  0
    5.2011   -2.2320    0.0000 N   0  0
    5.7474   -3.6299    0.0000 C   0  0
    7.2299   -3.8587    0.0000 N   0  0
    7.7731   -5.2569    0.0000 C   0  0
    6.8338   -6.4264    0.0000 C   0  0
    5.3513   -6.1977    0.0000 C   0  0
    4.4091   -7.3659    0.0000 N   0  0
    2.9261   -7.1350    0.0000 C   0  0
    1.6674   -7.4625    0.0000 C   0  0
    0.6771   -8.4271    0.0000 C   0  0
   -0.4928   -7.6984    0.0000 C   0  0
    0.4122   -6.8053    0.0000 C   0  0
    0.5466   -5.4130    0.0000 C   0  0
    1.8248   -6.4309    0.0000 C   0  0
    2.1172   -4.9550    0.0000 C   0  0
    3.5372   -4.4717    0.0000 O   0  0
    0.9889   -3.9665    0.0000 N   0  0
    4.8081   -4.7995    0.0000 N   0  0
    7.3770   -7.8246    0.0000 Cl  0  0
   -2.5248    2.0134    0.0000 N   0  0
   -2.2261    3.4874    0.0000 C   0  0
   -3.3495    4.4814    0.0000 C   0  0
   -4.7720    4.0055    0.0000 O   0  0
   -5.0711    2.5356    0.0000 C   0  0
   -3.9477    1.5416    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  4  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  3  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  3
 24 25  1  0
 25 26  1  0
 26 22  1  0
 25 27  1  0
 27 21  1  0
 27 28  1  0
 28 29  2  0
 28 30  1  0
 19 31  2  0
 31 15  1  0
 18 32  1  0
  7 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 33  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13767

> <plate>
PLATE 001

> <well>
G7

> <supplier_cmpd_name>
CEP-28122

> <ctcr_id>
12614

> <supplier_cmpd_id>
T2612

> <smiles>
COc1c2CCC(CCc2ccc1Nc1ncc(c(NC2C3C=CC(C3)C2C(=O)N)n1)Cl)N1CCOCC1

> <pd_targets>
{CHEK2,FER,RPS6KA3,MAP4K2,PTK2,TNK2,RPS6KA2,FLT3,MAPK8,ALK,RPS6KA1,RPS6KA6,PTK6,NUAK1,FLT4,FES,INSR}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","TK protein kinase group","AGC protein kinase group","STE protein kinase group","CMGC protein kinase group","TKL protein kinase group","CAMK
 protein kinase RAD53 family","Tyrosine protein kinase Fer family","AGC protein kinase RSK family","STE protein kinase STE20 family","Tyrosine protein kinase Fak family","Tyrosine protein kinase Ack f
amily","Tyrosine protein kinase PDGFR family","CMGC protein kinase MAPK family","TKL protein kinase STKR family","Tyrosine protein kinase Src family","CAMK protein kinase CAMK1 family","Tyrosine prote
in kinase VEGFR family","Tyrosine protein kinase InsR family","AGC protein kinase RSK subfamily","STE protein kinase KHS subfamily","CMGC protein kinase JNK subfamily","TKL protein kinase STKR Type 1 
subfamily","CAMK protein kinase NuaK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast
 Sterile 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK-like (CAMKL) family","TK: Tyrosine kinase","RSK family","STE20 family","Mitogen-activated protein ki
nases (MAP kinases)","CHK1 subfamily","Non-receptor tyrosine kinases (nRTKs)","RSK subfamily","KHS subfamily","Receptor tyrosine kinases (RTKs)","JNK subfamily","NuaK subfamily","Fer family","Fak fami
ly","Ack family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Src family","Type IV RTKs: VEGF (vascular endothelial growth f
actor) receptor family","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","Immune System",Disease,"Neuronal System","Cell Cycle","Developmental Biology","RNA Polymerase II Transcription","Signaling by Receptor Tyrosin
e Kinases","Innate Immune System","Infectious disease","Transmission across Chemical Synapses",Mitotic,"Nervous system development","Intracellular signaling by second messengers","Generic Transcriptio
n Pathway","Signaling by SCF-KIT","Toll-like Receptor Cascades","Leishmania infection","Signaling by Insulin receptor","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic G1 pha
se and G1/S transition","Signaling by VEGF","Axon guidance","PIP3 activates AKT signaling","Transcriptional Regulation by TP53","Toll Like Receptor 5 (TLR5) Cascade","Parasite infection","Insulin rece
ptor signalling cascade","Activation of NMDA receptors and postsynaptic events","G1 Phase","VEGF ligand-receptor interactions","Semaphorin interactions","Negative regulation of the PI3K/AKT network","
Regulation of TP53 Activity","MyD88 cascade initiated on plasma membrane","Leishmania phagocytosis","IRS-mediated signalling","Post NMDA receptor activation events","Cyclin D associated events in G1",
"VEGF binds to VEGFR leading to receptor dimerization","CRMPs in Sema3A signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Regulation of TP53 Expression and Degradation","MAP kinase activati
on","FCGR3A-mediated phagocytosis","PI3K Cascade","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Regulation of TP53 Activity through Phosphorylation","Regulation o
f TP53 Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","RSK activation","CREB phosphorylation","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{EP2812,CEP-28122,CEP28122,1022958-60-6,1022958606,AKOS026750564,T2612}

> <pdid>
PD017096

> <targets>
{ALK}

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

> <pubchem_cids>
{76446999}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 28 32  0  0  0  0            999 V2000
    1.3616    8.0780    0.0000 C   0  0
    1.5200    6.5864    0.0000 N   0  0
    2.8199    5.8378    0.0000 C   0  0
    2.4951    4.3865    0.0000 C   0  0
    1.0181    4.2118    0.0000 C   0  0
    0.4064    5.5814    0.0000 N   0  0
    3.4987    3.2707    0.0000 C   0  0
    4.9661    3.5819    0.0000 C   0  0
    5.9693    2.4667    0.0000 C   0  0
    5.5051    1.0403    0.0000 C   0  0
    6.2543   -0.2583    0.0000 N   0  0
    5.2500   -1.3725    0.0000 N   0  0
    3.8990   -0.7508    0.0000 C   0  0
    4.0377    0.7291    0.0000 N   0  0
    3.0345    1.8443    0.0000 N   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 F   0  0
    3.8975   -2.2510    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    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  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 10  1  0
 14 15  1  0
 15  7  2  0
 13 16  1  0
 16 17  1  0
 16 18  1  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 22  1  0
 27 28  2  0
 28 19  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13768

> <plate>
PLATE 001

> <well>
G8

> <supplier_cmpd_name>
JNJ-38877605

> <ctcr_id>
6058

> <supplier_cmpd_id>
T6095

> <smiles>
Cn1cc(cn1)c2ccc3nnc(n3n2)C(F)(F)c4ccc5ncccc5c4

> <pd_targets>
{MET,PDE3A,PDE3B,TPR}

> <pathway_gtopdb>
{Enzyme,Kinase,Phosphodiesterase,"Protein Kinase","Phosphodiesterase 3","TK protein kinase group","Phosphodiesterase 3A","Tyrosine protein kinase Met family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","Semaphorin interactions","Sema4D in semaphorin signaling","Sema4D mediated inhibition of cell attachment and migration"}

> <broad_targets>
{MET}

> <broad_moa>
{"tyrosine kinase inhibitor"}

> <synonyms>
{JNJ-38877605,JNJ38877605,943540-75-8,943540758,"JNJ 38877605",UNII-15UDG410PN,UNII15UDG410PN,15UDG410PN,C19H13F2N7,1072116-03-0,1072116030,PubChem22454,cc-51,cc51,MLS006010960,SCHEMBL182199,CHEMBL213
3806,CHEBI:91417,DTXSID20677253,QCR-226,QCR226,SYN1047,BDBM163243,HMS3244G09,HMS3244G10,HMS3244H09,T6095,S1114}

> <pdid>
PD011130

> <targets>
{c-Met}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{46911863}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0875    3.7680    0.0000 F   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Cl  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 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
   -3.9170   -9.7482    0.0000 C   0  0
   -5.2186  -10.4937    0.0000 C   0  0
   -6.5150   -9.7392    0.0000 C   0  0
   -6.5099   -8.2392    0.0000 C   0  0
   -5.2082   -7.4937    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  2  0
 18 11  1  0
  9 19  2  0
 19  5  1  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13769

> <plate>
PLATE 001

> <well>
G9

> <supplier_cmpd_name>
Dacomitinib

> <ctcr_id>
7526

> <supplier_cmpd_id>
T2483

> <smiles>
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN4CCCCC4

> <pd_targets>
{EGFR,ERBB2,LCK,ERBB4,SRC,ERBB3,JAK3}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) recept
or family","Src family","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology",Disease,"Neuronal System","Immune System","Signaling by GPCR","Nervous system development","Infectious disease","Transmission across Chemical Synapses","
Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","GPCR downstream signalling","Axon guidance","HIV Infection","Neurotransmitter receptors and postsynaptic signal transmiss
ion","Signaling by NTRKs","Signaling by Interleukins","G alpha (q) signalling events","Semaphorin interactions","Host Interactions of HIV factors","Activation of NMDA receptors and postsynaptic events
","Signaling by NTRK1 (TRKA)","Interleukin-2 family signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Sema4D in semaphorin signaling","The role of Nef in HIV-1 replication and disease pat
hogenesis","Post NMDA receptor activation events","Signalling to ERKs","Interleukin-15 signaling","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","Nef-mediat
es down modulation of cell surface receptors by recruiting them to clathrin adapters","Long-term potentiation","Signalling to RAS","Nef Mediated CD4 Down-regulation","p38MAPK events"}

> <broad_targets>
{EGFR,ERBB2,ERBB4}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{PF299,Q-4059,Q4059,J-500784,J500784,Q17130597,"PF-299804 (Dacomitinib PF-00299804)","PF299804 (Dacomitinib PF00299804)",Dacomitinib,1110813-31-4,1110813314,PF299804,"Dacomitinib (PF299804, PF299)",PF
-00299804,PF00299804,Vizimpro,UNII-2XJX250C20,UNII2XJX250C20,"Dacomitinib (PF299804)",pf00299804,2XJX250C20,"PF 002998",T2483,S2727,"Dacomitinib (PF299804,PF-00299804)"}

> <pdid>
PD010693

> <targets>
{EGFR,Apoptosis}

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

> <pubchem_cids>
{11511120}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 22 24  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
    2.5987    1.5004    0.0000 C   0  0
    2.6012    3.0005    0.0000 C   0  0
    3.9014    3.7484    0.0000 C   0  0
    5.1993    2.9963    0.0000 C   0  0
    6.4995    3.7443    0.0000 O   0  0
    5.1969    1.4963    0.0000 C   0  0
    6.4947    0.7443    0.0000 O   0  0
    3.8967    0.7484    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  5  1  0
 12 13  1  0
 13  2  1  0
 13 14  2  0
  3 15  1  6
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  2  0
 22 15  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13770

> <plate>
PLATE 001

> <well>
G10

> <supplier_cmpd_name>
Taxifolin

> <ctcr_id>
2491

> <supplier_cmpd_id>
T1738

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{54603556}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 41 45  0  0  1  0            999 V2000
   16.1268    0.6107    0.0000 C   0  0
   15.0251   -0.4073    0.0000 N   0  0
   13.5916    0.0372    0.0000 C   0  0
   13.2604    1.5002    0.0000 O   0  0
   12.4892   -0.9813    0.0000 C   0  0
   12.8230   -2.4437    0.0000 C   0  0
   11.7235   -3.4640    0.0000 C   0  0
   10.2901   -3.0219    0.0000 C   0  0
    9.9563   -1.5595    0.0000 C   0  0
   11.0559   -0.5391    0.0000 C   0  0
   10.7189    0.9234    0.0000 N   0  0
    9.2842    1.3637    0.0000 C   0  0
    8.1881    0.3397    0.0000 N   0  0
    6.7532    0.7768    0.0000 C   0  0
    6.4144    2.2381    0.0000 N   0  0
    7.5104    3.2621    0.0000 C   0  0
    8.9453    2.8250    0.0000 C   0  0
   10.0413    3.8490    0.0000 Cl  0  0
    5.6545   -0.2456    0.0000 N   0  0
    4.2194    0.1938    0.0000 C   0  0
    3.1198   -0.8265    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0  2  0  0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
   -2.5248    2.0134    0.0000 N   0  0
   -3.8953    1.3942    0.0000 C   0  0
   -5.1144    2.2683    0.0000 C   0  0
   -4.9670    3.7610    0.0000 N   0  0
   -3.6005    4.3797    0.0000 C   0  0
   -2.3815    3.5057    0.0000 C   0  0
   -6.1849    4.6380    0.0000 C   0  0
   -6.0353    6.1314    0.0000 C   0  0
   -7.2525    7.0079    0.0000 O   0  0
    2.4522    2.0983    0.0000 C   0  0
    3.8856    1.6562    0.0000 C   0  0
    3.4574   -2.2889    0.0000 O   0  0
    4.8916   -2.7284    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 14 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 22  1  0
 25 29  1  6
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 29  1  0
 32 35  1  0
 35 36  1  0
 36 37  1  0
 23 38  1  0
 38 39  2  0
 39 20  1  0
 21 40  1  0
 40 41  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13771

> <plate>
PLATE 001

> <well>
G11

> <supplier_cmpd_name>
CEP37440

> <ctcr_id>
12626

> <supplier_cmpd_id>
T2655

> <smiles>
CNC(=O)c1ccccc1Nc1nc(ncc1Cl)Nc1c(c2c(C[C@H](CCC2)N2CCN(CC2)CCO)cc1)OC

> <pd_targets>
{ALK,PTK2,INSR}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","TK protein kinase group","TKL protein kinase STKR family","Tyrosine protein kinase Fak family","Tyrosine protein kinase InsR family","TKL pr
otein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) rec
eptor family","Fak family","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Infectious disease","Intracellular signaling by second messengers","Leishmania infection","PIP3 activates AKT signaling","Parasite infection","Negative regulation of th
e PI3K/AKT network","Leishmania phagocytosis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{ALK}

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

> <synonyms>
{CEP-37440,CEP37440,1391712-60-9,1391712609,UNII-O3MNS8782H,UNIIO3MNS8782H,O3MNS8782H,CHEMBL3951811,"Alk-fak inhibitor CEP-37440","Alkfak inhibitor CEP37440",GTPL9698,SCHEMBL15269443,EX-A1543,EXA1543,
BDBM50193811,MFCD28009441,NSC781148,NSC800983,ZINC146905479,DB13060,NSC-781148,NSC-800983,SB16849,"compound 2",T2655}

> <pdid>
PD057153

> <targets>
{ALK,FAK}

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

> <pubchem_cids>
{71721648}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    2.5891   -7.5025    0.0000 C   0  0
    2.5915   -6.0025    0.0000 C   0  0
    3.8919   -5.2533    0.0000 S   0  0
    5.1900   -6.0050    0.0000 O   0  0
    3.8903   -6.7533    0.0000 O   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
   -1.2947    3.7531    0.0000 O   0  0
    1.3039    3.7494    0.0000 N   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6060    6.0003    0.0000 C   0  0
    2.6060    7.5003    0.0000 C   0  0
    1.3070    8.2503    0.0000 N   0  0
    1.3070    9.7503    0.0000 C   0  0
    0.0079    7.5003    0.0000 C   0  0
    0.0079    6.0003    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.4134   -4.4924    0.0000 N   0  0
   -1.5318   -5.7059    0.0000 C   0  0
   -0.0400   -5.5491    0.0000 C   0  0
    0.8417   -6.7626    0.0000 C   0  0
    0.5701   -4.1788    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 18  1  0
 14 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 32 34  1  0
 34 35  2  0
 35 29  1  0
 35 36  1  0
 36 12  1  0
 36 27  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13772

> <plate>
PLATE 001

> <well>
H2

> <supplier_cmpd_name>
TAK901

> <ctcr_id>
1061

> <supplier_cmpd_id>
T2709

> <smiles>
CC[S](=O)(=O)c1cccc(c1)c2cc(C(=O)NC3CCN(C)CC3)c(C)c4[nH]c5ncc(C)cc5c24

> <pd_targets>
{AURKA,TPX2,AURKB,INCENP}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","Other protein kinases","Aurora kinase (Aur) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Cell Cycle","RNA Polymerase II Transcription",Mitotic,"Generic Transcription Pathway","M Phase","Transcriptional Regulation by TP53","Mitotic Metaphase and Anaphase
","Regulation of TP53 Activity","Mitotic Anaphase","Regulation of TP53 Activity through Phosphorylation","Separation of Sister Chromatids"}

> <broad_targets>
{AURKB}

> <broad_moa>
{"Aurora kinase inhibitor"}

> <synonyms>
{TAK-901,TAK901,934541-31-8,934541318,"TAK 901",UNII-DM9UIR23R7,UNIIDM9UIR23R7,DM9UIR23R7,C28H32N4O3S,cc-11,cc11,MLS006010174,SCHEMBL645679,CHEMBL3544932,DTXSID70583097,EX-A874,EXA874,HMS3656F17,TAK-9
01/TAK901/,TAK901/TAK901/,ABP000125,MFCD18782651,NSC762151,NSC803712,s2718,ZINC35310420,AKOS005266666,T2709,S2718}

> <pdid>
PD010873

> <targets>
{"Aurora Kinase"}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{16124208}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 36 39  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 N   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -5.2089   -5.9859    0.0000 Cl  0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -5.1977   -2.9829    0.0000 N   0  0
   -5.1903   -1.4821    0.0000 C   0  0
   -3.8861   -0.7410    0.0000 C   0  0
   -3.8758    0.7590    0.0000 C   0  0
   -5.1696    1.5179    0.0000 C   0  0
   -6.4738    0.7769    0.0000 C   0  0
   -6.4841   -0.7230    0.0000 C   0  0
   -7.7891   -1.4644    0.0000 P   0  0
   -9.0833   -0.7062    0.0000 O   0  0
   -7.7990   -2.9644    0.0000 C   0  0
   -9.0929   -2.2060    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 N   0  0
    0.0000    3.0008    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -0.0103    7.5017    0.0000 N   0  0
   -1.3116    8.2478    0.0000 C   0  0
    1.2863    8.2560    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 23 26  1  0
 15 27  2  0
 27 10  1  0
  5 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 31 34  1  0
 34 35  1  0
 34 36  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13773

> <plate>
PLATE 001

> <well>
H3

> <supplier_cmpd_name>
AP26113

> <ctcr_id>
6572

> <supplier_cmpd_id>
T3059

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

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

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

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

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

> <broad_targets>
{ALK,EGFR}

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

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

> <pdid>
PD010656

> <targets>
{ALK}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{57390074}

$$$$
TargetMol_L2200_Tyrosine kinase 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 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -2.6044    2.9986    0.0000 C   0  0
   -3.9039    3.7478    0.0000 C   0  0
   -3.9049    5.2478    0.0000 C   0  0
   -2.6064    5.9986    0.0000 C   0  0
   -2.6043    7.4995    0.0000 O   0  0
   -1.3039    8.2489    0.0000 C   0  0
   -1.3018    9.7497    0.0000 C   0  0
   -0.0015   10.4991    0.0000 N   0  0
    0.1405   11.9796    0.0000 C   0  0
    1.6086   12.2873    0.0000 C   0  0
    2.3550   10.9862    0.0000 C   0  0
    1.3481    9.8743    0.0000 C   0  0
   -1.3068    5.2495    0.0000 C   0  0
   -1.3058    3.7495    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -5.1992   -2.9856    0.0000 S   0  0
   -5.1935   -1.4856    0.0000 O   0  0
   -6.4953   -2.2305    0.0000 O   0  0
   -6.5020   -3.7306    0.0000 N   0  0
   -7.7992   -2.9757    0.0000 C   0  0
   -9.1013   -3.7204    0.0000 C   0  0
   -7.7935   -1.4758    0.0000 C   0  0
   -9.0952   -2.2206    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 14  1  0
 10 19  1  0
 19 20  2  0
 20  7  1  0
  5 21  1  0
 21 22  2  0
 22  2  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 28 30  1  0
 30 31  2  0
 30 32  2  0
 30 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 34 37  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13774

> <plate>
PLATE 001

> <well>
H4

> <supplier_cmpd_name>
Fedratinib

> <ctcr_id>
2863

> <supplier_cmpd_id>
T1995

> <smiles>
Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc4cccc(c4)[S](=O)(=O)NC(C)(C)C

> <pd_targets>
{DCLK1,ABL1,CSF1R,EGFR,EPHA3,MAP3K2,CIT,STK38,NEK6,RPS6KA6,ULK2,TAOK2,CDK4,FLT3,ROCK2,KIT,RET,IRAK3,CAMK2B,JAK1,TLK2,INSR,STK11,MYLK4,SBK1,DCLK2,ERBB4,BMPR2,ERN1,EPHB2,CAMK1D,FGFR2,CAMKK1,NEK9,CAMK2G,
LRRK2,WEE2,BRD4,BRDT,IRAK1,BLK,PAK2,MAPK8,RPS6KA1,NEK4,TTK,CLK2,PLK3,BRAF,EPHB1,EPHB6,JAK2,TLK1,LATS2,STK36,IRAK4,TAOK3,MAP3K9,TBK1,SRPK3,COQ8B,MAP3K19,MAP2K2,STK33,MUSK,SIK1,PRKG2,GAK,DAPK3,CDK7,MKNK
1,DDR1,FES,RIPK1,EPHB4,MAP3K13,MAP2K4,JAK3,AURKC,AURKB,STK16,ACVRL1,FGFR3,PHKG2,EIF2AK4,PAK4,STK26,BMP2K,PAK6,CAMK1G,RIOK1,TSSK1B,MYLK2,ZAP70,NTRK1,NEK3,PDGFRB,MAPK6,PIP4K2B,ULK1,PRPF4B,ALK,AURKA,YES1
,PLK4,CHEK1,PIK3CA,DMPK,MYLK,DYRK1B,STK17A,PLK1,SRC,CDK16,PHKG1,STK25,STK39,SIK2,CAMK2A,TNNI3K,MET,TYK2,HCK,LYN,MARK3,MAP3K3,CDK18,MAP4K2,INSRR,COQ8A,FGFR4,FGFR1,MAP3K20,ROCK1,NTRK2,MAPK9,HIPK4,NEK11,
HIPK1,ANKK1,NEK5,PRKAA2,NEK2,CDKL5,RPS6KB1,MAP4K3,TNK1,EPHA4,TAOK1,ITK,HIPK3,CDK15,MAP3K12,CDK17,CLK1,PRKAA1,TEK,IGF1R,MINK1,MAP4K1,ACVR1,BMPR1B,MARK1,MYLK3,CSNK2A1,TNK2,AXL,MAP3K11,ABL2,PI4KB,PIK3CG,
ACVR1B,CAMK1,TGFBR2,EPHA6,PAK5,EPHA8,RIPK4,HIPK2,MARK4,FYN,PKN1,SBK3,IKBKB,FLT1,LIMK1,FGR,SRPK1,WEE1,CASK,STK17B,RPS6KA3,ROS1,EIF2AK1,FLT4,RPS6KA4,EPHA1,RPS6KA5,TIE1,LIMK2,PTK6,STK10,CAMKK2,PLK2,CDK14
,BMX,MATK,MAPK10,CDKL2,NEK1,SLK,NUAK1,NEK7,GRK7,NIM1K,PTK2,CDPK1,ULK3,KDR,EPHA7,NTRK3,CAMK2D,BTK,RPS6KA2,CDK9,CLK4,PIP4K2C,NUAK2,MAP3K7,LTK,PAK1,FER,MAPK7,MAP2K1,RIPK2,PRKD3,PDGFRA,PTK2B,MERTK,DAPK2,A
AK1,PRKG1,SRPK2,DDR2,PIP5K1A,MARK2,MKNK2,PKNB,SRMS,MAP2K3,CSK,SYK,CSNK2A2,FRK,RIOK3,EPHA2,DCLK3,IKBKE,MELK,CILK1,MAP2K5,GRK4,PRKCE,MAP3K4,SGK3,DAPK1,MAPK15,DSTYK,TXK,LCK,TESK1,CHUK,EIF2AK2,SNRK,RIOK2,
MAP3K10,SIK3}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein",Kinase,Transferase,Reader,"Protein Kinase",Bromodomain,"CAMK protein kinase group","TK protein kinase group","STE protein kinase group","AGC prote
in kinase group","Other protein kinase group","CMGC protein kinase group","TKL protein kinase group","Atypical protein kinase group","CAMK protein kinase DCAMK1 family","Tyrosine protein kinase Abl fa
mily","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Eph family","STE protein kinase STE11 family","AGC protein kinase DMPK family","AGC protein 
kinase NDR family","Other protein kinase NEK family","AGC protein kinase RSK family","Other protein kinase ULK family","STE protein kinase STE20 family","Tyrosine protein kinase Ret family","TKL prote
in kinase IRAK family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase JakA family","Other protein kinase TLK family","Tyrosine protein kinase InsR family","CAMK protein kinase CAMK1 famil
y","CAMK protein kinase MLCK family","Other protein kinase NKF1 family","TKL protein kinase STKR family","Tyrosine protein kinase FGFR family","Other protein kinase CAMKK family","TKL protein kinase L
RRK family","Other protein kinase WEE family","Tyrosine protein kinase Src family","CMGC protein kinase MAPK family","Other protein kinase TTK family","CMGC protein kinase CLK family","Other protein k
inase PLK family","TKL protein kinase RAF family","TKL protein kinase MLK family","Other protein kinase IKK family","CMGC protein kinase SRPK family","Atypical protein kinase ABC1 family","STE protein
 kinase STE7 family","CAMK protein kinase unique family","Tyrosine protein kinase Musk family","AGC protein kinase PKG family","Other protein kinase NAK family","CAMK protein kinase DAPK family","CMGC
 protein kinase CDK family","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Fer family","TKL protein kinase RIPK family","Other protein kinase AUR fa
mily","CAMK protein kinase PHk family","Other protein kinase PEK family","Atypical protein kinase RIO family","CAMK protein kinase TSSK family","Tyrosine protein kinase Syk family","Tyrosine protein k
inase Trk family","CMGC protein kinase DYRK family","Tyrosine protein kinase Met family","CMGC protein kinase CDKL family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Tec family","Ty
rosine protein kinase Tie family","Other protein kinase CK2 family","Tyrosine protein kinase Axl family","AGC protein kinase PKN family","Tyrosine protein kinase VEGFR family","TKL protein kinase LISK
 family","Tyrosine protein kinase Sev family","Tyrosine protein kinase Csk family","AGC protein kinase GRK family","Tyrosine protein kinase Fak family","Tyrosine protein kinase Alk family","CAMK prote
in kinase PKD family","CMGC protein kinase RCK family","AGC protein kinase PKC family","AGC protein kinase SGK family","STE protein kinase MEKK2","AGC protein kinase CRIK subfamily","AGC protein kinas
e RSK subfamily","STE protein kinase TAO subfamily","AGC protein kinase ROCK subfamily","CAMK protein kinase LKB subfamily","TKL protein kinase STKR Type 2 subfamily","Other protein kinase Meta subfam
ily","Other protein kinase WEE1","STE protein kinase PAKA subfamily","CMGC protein kinase JNK subfamily","TKL protein kinase MLK subfamily","Atypical protein kinase ABC1-A subfamily","CAMK protein kin
ase QIK subfamily","CMGC protein kinase CDK7 subfamily","CAMK protein kinase MNK subfamily","TKL protein kinase LZK subfamily","TKL protein kinase STKR Type 1 subfamily","Other protein kinase GCN2 sub
family","STE protein kinase PAKB subfamily","STE protein kinase YSK subfamily","Atypical protein kinase RIO1 subfamily","Other protein kinase Nek1","CMGC protein kinase ERK3","CAMK protein kinase CHK1
 subfamily","AGC protein kinase GEK subfamily","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase TAIRE subfamily","STE protein kinase FRAY subfamily","TKL protein kinase HH498 subfamily","CAM
K protein kinase MARK subfamily","CMGC protein kinase PCTAIRE","STE protein kinase KHS subfamily","CMGC protein kinase HIPK subfamily","Other protein kinase Nek11","CAMK protein kinase AMPK subfamily"
,"AGC protein kinase p70 subfamily","CMGC protein kinase PFTAIRE","STE protein kinase MSN subfamily","TKL protein kinase STKR1","Tyrosine protein kinase SrcA","TKL protein kinase LIMK subfamily","Othe
r protein kinase HRI","AGC protein kinase MSK subfamily","STE protein kinase SLK subfamily","Other protein kinase PLK2","CAMK protein kinase NuaK subfamily","AGC protein kinase GRK subfamily","CAMK pr
otein kinase NIM1 subfamily","CMGC protein kinase CDK9 subfamily","TKL protein kinase TAK1 subfamily","CMGC protein kinase ERK5","Tyrosine protein kinase Srm","Atypical protein kinase RIO3 subfamily",
"CAMK protein kinase MELK subfamily","CMGC protein kinase MAK","AGC protein kinase PKC eta subfamily","TKL protein kinase TESK subfamily","Other protein kinase PKR","Atypical protein kinase RIO2 subfa
mily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Kinases (EC 2.7.x.x)","Catalytic receptors","Chromatin modifying enzymes","Bromodomain-containing proteins","CAMK: Calcium/calmodulin-dependent protein kina
ses","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Enzymatic bromodo
main-containing proteins","Non-enzymatic BRD containing proteins",Atypical,"Lipid modifying kinases","DCAMKL family","TK: Tyrosine kinase","STE11 family","DMPK family","NDR family","Other protein kina
ses","RSK family","STE20 family","Cyclin-dependent kinase (CDK) family","TKL: Tyrosine kinase-like","CAMK2 family","CAMK-like (CAMKL) family","Myosin Light Chain Kinase (MLCK) family","CAMK1 family","
Bromodomain kinase (BRDK) family","Mitogen-activated protein kinases (MAP kinases)","CLK family","SRPK family","ABC1 family","STE7 family","CAMK-unique family","Protein kinase G (PKG) family","Death-a
ssociated kinase (DAPK) family","MAPK-Activated Protein Kinase (MAPKAPK) family","Phosphorylase kinase (PHK) family","RIO family","Testis specific kinase (TSSK) family","Type II PIP kinases (1-phospha
tidylinositol-5-phosphate 4-kinase family)","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Cyclin-dependent kin
ase-like (CDKL) family","1-phosphatidylinositol 4-kinase family","Protein kinase N (PKN) family","CASK family","G protein-coupled receptor kinases (GRKs)","Protein kinase D (PKD) family","Type I PIP k
inases (1-phosphatidylinositol-4-phosphate 5-kinase family)","RCK family","Protein kinase C (PKC) family","SGK family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Other
 DMPK family kinases","NIMA (never in mitosis gene a)- related kinase (NEK) family","RSK subfamily","Unc-51-like kinase (ULK) family","TAO subfamily","CDK4 subfamily","Rho kinase","Interleukin-1 recep
tor-associated kinase (IRAK) family","Tousled-like kinase (TLK) family","LKB subfamily","NKF1 family","Receptor serine/threonine kinase (RSTK) family","IRE family","CAMKK family","Leucine-rich repeat 
kinase (LRRK) family","WEE family","PAKA subfamily","JNK subfamily","TTK family","Polo-like kinase (PLK) family","RAF family","Mixed Lineage Kinase (MLK) family","IKK family","ABC1-B subfamily","STE20
 subfamily","QIK subfamily","Numb-associated kinase (NAK) family","CDK7 subfamily","MKN subfamily","Receptor interacting protein kinase (RIPK) family","Aurora kinase (Aur) family","NAK family","PEK fa
mily","PAKB subfamily","YSK subfamily","RIO1 subfamily","ERK subfamily","PRP4 subfamily","CHK1 subfamily","GEK subfamily","Dyrk1 subfamily","TAIRE subfamily","FRAY subfamily","MARK subfamily","KHS sub
family","HIPK subfamily","AMPK subfamily","p70 subfamily","MSN subfamily","Casein kinase 2 (CK2) family","LIM domain kinase (LISK) family","MSK subfamily","SLK subfamily","NuaK subfamily","Opsin/rhodo
psin kinases","NIM1 subfamily","CDK9 subfamily","RIO3 subfamily","MELK subfamily","GRK4 subfamily","Eta subfamily","Erk7 subfamily","Other-unique family","SNRK subfamily","RIO2 subfamily","Abl family"
,"Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XIII RTKs: Ephrin receptor family","Type XIV RTKs: RET","Janus kinase (JakA)
 family","Type II RTKs: Insulin receptor family","Type II receptor serine/threonine kinases","Type V RTKs: FGF (fibroblast growth factor) receptor family","Meta subfamily","Src family","MLK subfamily"
,"Type IX RTKs: MuSK","Type XVI RTKs: DDR (collagen receptor) family","Fer family","LZK subfamily","Type I receptor serine/threonine kinases","GCN2 subfamily","Syk family","Type VII RTKs: Neurotrophin
 receptor/Trk family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","HH498 subfamily","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Ack family","Tec family","Type X
II RTKs: TIE family of angiopoietin receptors","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","LIMK subfamily"
,"Type XVII RTKs: ROS receptors","Other PEK family kinases","Csk family","Fak family","TAK1 subfamily","TESK subfamily"}

> <pathway_reactome>
{Disease,"Gene expression (Transcription)","Signal Transduction","Developmental Biology","Cell Cycle","Neuronal System","Immune System","Metabolism of proteins","Extracellular matrix organization","Ci
rcadian Clock","Vesicle-mediated transport","Programmed Cell Death",Metabolism,"Cellular responses to external stimuli","Metabolism of RNA",Autophagy,"DNA Repair","Muscle contraction","Organelle bioge
nesis and maintenance",Hemostasis,"Transport of small molecules","Cell-Cell communication","Infectious disease","RNA Polymerase II Transcription","Signaling by GPCR","Nervous system development","Sign
aling by Rho GTPases",Mitotic,"Transmission across Chemical Synapses","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Innat
e Immune System","Cytokine Signaling in Immune system","Intracellular signaling by second messengers","Signaling by TGFB family members","Unfolded Protein Response (UPR)","Signaling by Non-Receptor Ty
rosine Kinases","Signaling by Hippo","ECM proteoglycans","MAPK family signaling cascades","Membrane Trafficking",Apoptosis,"Non-integrin membrane-ECM interactions","Metabolism of carbohydrates","Cellu
lar responses to stress","rRNA processing","Adaptive Immune System",Macroautophagy,"DNA Double-Strand Break Repair","Cardiac conduction","MTOR signalling","Metabolism of lipids","Signaling by NODAL","
Cilium Assembly","Cell Cycle Checkpoints","Signaling by Hedgehog","Cell surface interactions at the vascular wall","Platelet homeostasis","Ion channel transport","Cell junction organization","Leishman
ia infection","Generic Transcription Pathway","GPCR downstream signalling","Axon guidance","RHO GTPase Effectors","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic G
1 phase and G1/S transition","Signaling by Insulin receptor","Signaling by KIT in disease","Toll-like Receptor Cascades","Interferon Signaling","PIP3 activates AKT signaling","Signaling by BMP","IRE1a
lpha activates chaperones","Signaling by FGFR in disease","Signaling by PTK6","SARS-CoV Infections","HIV Infection","Signaling by NTRKs","MAPK1/MAPK3 signaling","trans-Golgi Network Vesicle Budding","
Caspase activation via extrinsic apoptotic signalling pathway","Signaling by FGFR","Signaling by Interleukins","Glycogen metabolism","Response of EIF2AK4 (GCN2) to amino acid deficiency","Apoptotic ex
ecution phase","rRNA processing in the nucleus and cytosol","TCR signaling","MAPK6/MAPK4 signaling","Selective autophagy","Mitotic G2-G2/M phases","Homology Directed Repair","Ion homeostasis","Oncogen
ic MAPK signaling","Regulation of mitotic cell cycle","mTORC1-mediated signalling","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Cellular Senescence","Signaling by VEGF","Phosph
olipid metabolism","Regulation of signaling by NODAL","Signaling by TGF-beta Receptor Complex in Cancer","Anchoring of the basal body to the plasma membrane","G2/M Checkpoints","Response of EIF2AK1 (H
RI) to heme deficiency","Neutrophil degranulation","Signaling by ERBB2","Hedgehog 'on' state","Signaling by SCF-KIT","Sphingolipid metabolism","Signaling by PDGFR in disease","Clathrin-mediated endocy
tosis","Nitric oxide stimulates guanylate cyclase","Fcgamma receptor (FCGR) dependent phagocytosis","Stimuli-sensing channels","Fc epsilon receptor (FCERI) signaling","Cell-extracellular matrix intera
ctions","Influenza Infection","Parasite infection","Transcriptional Regulation by VENTX","G alpha (q) signalling events","EPH-Ephrin signaling","RHO GTPases activate CIT","Mitotic Prophase","Activatio
n of NMDA receptors and postsynaptic events","G1 Phase","Insulin receptor signalling cascade","Semaphorin interactions","Drug resistance of KIT mutants","RET signaling","Toll Like Receptor 2 (TLR2) Ca
scade","Antiviral mechanism by IFN-stimulated genes","Negative regulation of the PI3K/AKT network","Transcriptional Regulation by TP53","Signaling by FGFR2 in disease","PTK6 promotes HIF1A stabilizati
on","Potential therapeutics for SARS","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional regulation by RUNX1","Host Interactions of HIV factors","Signaling by NTRK1 (TRKA)","Toll Like Receptor 4 (
TLR4) Cascade","RAF/MAP kinase cascade","Golgi Associated Vesicle Biogenesis","Caspase activation via Dependence Receptors in the absence of ligand","HIV Life Cycle","Signaling by FGFR4","Interleukin-
2 family signaling","Mitotic Metaphase and Anaphase","Signaling by FGFR3 in disease","Glycogen breakdown (glycogenolysis)","Signaling by ROBO receptors","Apoptotic cleavage of cellular proteins","Majo
r pathway of rRNA processing in the nucleolus and cytosol","Generation of second messenger molecules",Mitophagy,"Leishmania parasite growth and survival","G2/M Transition","HDR through Homologous Reco
mbination (HRR) or Single Strand Annealing (SSA)","Signaling by FGFR1 in disease","RHO GTPases activate PAKs","Interferon alpha/beta signaling","Signaling by RAS mutants","Interleukin-1 family signali
ng","APC/C-mediated degradation of cell cycle proteins","IGF1R signaling cascade","Oxidative Stress Induced Senescence","VEGFA-VEGFR2 Pathway","PI Metabolism","Loss of Function of SMAD2/3 in Cancer","
RHO GTPases activate PKNs","VEGF ligand-receptor interactions","G2/M DNA damage checkpoint","L1CAM interactions","Downregulation of ERBB2 signaling","G alpha (i) signalling events","Signaling by NTRK3
 (TRKC)","Sphingolipid de novo biosynthesis","Drug resistance of PDGFR mutants","Cargo recognition for clathrin-mediated endocytosis","cGMP effects","PTK6 Down-Regulation","PTEN Regulation","Role of p
hospholipids in phagocytosis","FCERI mediated Ca+2 mobilization","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","NS1 Mediated Effects on Host Pathways","Leishmani
a phagocytosis","Gastrin-CREB signalling pathway via PKC and MAPK","EPHA-mediated growth cone collapse","Nuclear Envelope Breakdown","Post NMDA receptor activation events","Cyclin D associated events 
in G1","IRS-mediated signalling","Sema4D in semaphorin signaling","Dasatinib-resistant KIT mutants","Toll Like Receptor TLR6:TLR2 Cascade","ISG15 antiviral mechanism",PI5P,"PP2A and IER3 Regulate PI3K
/AKT Signaling","Regulation of TP53 Activity","EPHB-mediated forward signaling","FGFR2 mutant receptor activation","MyD88 cascade initiated on plasma membrane","RUNX1 regulates transcription of genes 
involved in BCR signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Signalling to ERKs","MyD88-independent TLR4 cascade","RAS processing","Late Phase of HIV Life Cycle","Negati
ve regulation of FGFR4 signaling","CRMPs in Sema3A signaling","Interleukin-15 signaling","Mitotic Anaphase","Signaling by FGFR3 point mutants in cancer","Activation of RAC1","Receptor Mediated Mitopha
gy","Anti-inflammatory response favouring Leishmania parasite infection","Centrosome maturation","HDR through Homologous Recombination (HRR)","FGFR1 mutant receptor activation","Regulation of IFNA sig
naling","Signaling downstream of RAS mutants","Interleukin-1 signaling","Downstream signaling of activated FGFR4","Activation of TRKA receptors","Activation of APC/C and APC/C:Cdc20 mediated degradati
on of mitotic proteins","IRS-related events triggered by IGF1R","Role of ABL in ROBO-SLIT signaling","Synthesis of PIPs at the Golgi membrane","Synthesis of PIPs at the plasma membrane","SMAD2/3 Phosp
horylation Motif Mutants in Cancer","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","VEGF binds to VEGFR leading to receptor dimerization","Chk1/Chk2(
Cds1) mediated inactivation of Cyclin B:Cdk1 complex","Assembly and cell surface presentation of NMDA receptors","Recycling pathway of L1","Visual phototransduction","VEGFR2 mediated cell proliferatio
n","Activated NTRK3 signals through PI3K","Imatinib-resistant PDGFR mutants","Interleukin-2 signaling","Regulation of PTEN stability and activity","Signalling to ERK5","Inhibition of PKR","FCGR3A-medi
ated phagocytosis","EGFR Transactivation by Gastrin","Activation of NIMA Kinases NEK9",NEK6,NEK7,"CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","PI3K Cascade","Sema
4D induced cell migration and growth-cone collapse","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Regulation of TP53 Activity through Phosphorylation","Long-term potentiation","Activated po
int mutants of FGFR2","Activation of RAC1 downstream of NMDARs","MAP kinase activation","Nef and signal transduction","Prolonged ERK activation events","TRIF(TICAM1)-mediated TLR4 signaling","Transcri
ption of the HIV genome","Spry regulation of FGF signaling","Separation of Sister Chromatids","FGFR3 mutant receptor activation","Regulation of TP53 Activity through Acetylation","FCGR3A-mediated IL10
 synthesis","Loss of proteins required for interphase microtubule organization from the centrosome","Homologous DNA Pairing and Strand Exchange","Signaling by cytosolic FGFR1 fusion mutants","Signalli
ng to RAS","Sema4D mediated inhibition of cell attachment and migration","FRS-mediated FGFR4 signaling","Signaling by activated point mutants of FGFR1","NGF-independant TRKA activation","APC/C:Cdc20 m
ediated degradation of mitotic proteins","Activation of AMPK downstream of NMDARs","CD163 mediating an anti-inflammatory response","The phototransduction cascade","Nef-mediates down modulation of cell
 surface receptors by recruiting them to clathrin adapters","RSK activation","Ras activation upon Ca2+ influx through NMDA receptor","activated TAK1 mediates p38 MAPK activation","MAPK targets/ Nuclea
r events mediated by MAP kinases","ARMS-mediated activation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Frs2-mediated activation","HIV Transcription Elongation","IKK complex recruitment m
ediated by RIP1","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Signaling by activated point mutants of FGFR3","PI5P Regulates TP53 Acetylation","Loss of Nlp f
rom mitotic centrosomes","Presynaptic phase of homologous DNA pairing and strand exchange","p38MAPK events","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycl
e checkpoint",Inactivation,"recovery and regulation of the phototransduction cascade","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Nef Mediated CD4 Down-regulation","Activation of t
he AP-1 family of transcription factors","CREB phosphorylation","Tat-mediated elongation of the HIV-1 transcript","APC-Cdc20 mediated degradation of Nek2A","ERK/MAPK targets","Formation of HIV-1 elong
ation complex containing HIV-1 Tat","ERKs are inactivated"}

> <broad_targets>
{BRD4,JAK1,JAK2,JAK3,TYK2}

> <broad_moa>
{"FLT3 inhibitor","JAK inhibitor"}

> <synonyms>
{Fedratinib,936091-26-8,936091268,Tg-101348,Tg101348,TG101348,SAR302503,"TG 101348",SAR-302503,"Fedratinib (SAR302503, TG101348)",UNII-6L1XP550I6,UNII6L1XP550I6,"TG101348 (SAR302503)","SAR 302503",CHE
MBL1287853,C27H36N6O3S,6L1XP550I6,"936091-26-8 (free base)","936091268 (free base)",Inrebic,T1995,S2736,SY-TG101348,TG-101348}

> <pdid>
PD003532

> <targets>
{JAK,JAK2,Apoptosis}

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

> <pubchem_cids>
{16722836}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    7.7694  -10.5156    0.0000 C   0  0
    9.0713   -9.7705    0.0000 S   0  0
   10.3672  -10.5258    0.0000 O   0  0
    9.0654  -11.2705    0.0000 O   0  0
    9.0764   -8.2697    0.0000 C   0  0
   10.3780   -7.5242    0.0000 C   0  0
   10.3832   -6.0242    0.0000 C   0  0
    9.0867   -5.2697    0.0000 C   0  0
    7.7850   -6.0152    0.0000 C   0  0
    6.4863   -5.2630    0.0000 C   0  0
    5.1851   -6.0107    0.0000 N   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2935   -3.7495    0.0000 N   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    2.5795   -7.5048    0.0000 C   0  0
    1.2784   -8.2511    0.0000 F   0  0
    3.8762   -8.2589    0.0000 F   0  0
    2.5751   -9.0048    0.0000 F   0  0
    7.7800   -7.5152    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 19  1  0
 25 26  2  0
 26 16  1  0
 14 27  2  0
 27 28  1  0
 28 29  2  0
 29 12  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
  9 34  2  0
 34  5  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13775

> <plate>
PLATE 001

> <well>
H5

> <supplier_cmpd_name>
PF 573228

> <ctcr_id>
3111

> <supplier_cmpd_id>
T2001

> <smiles>
C[S](=O)(=O)c1cccc(CNc2nc(Nc3ccc4NC(=O)CCc4c3)ncc2C(F)(F)F)c1

> <pd_targets>
{CDK7,PTK2,ULK1,CDK1,CCNB1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","TK protein kinase group","Other protein kinase group","CMGC protein kinase CDK family","Tyrosine protein kinase Fak family","Other protein 
kinase ULK family","CMGC protein kinase CDK7 subfamily","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","Cyclin-dependent kinase (CDK) family","TK: Tyrosine kinase","Other p
rotein kinases","CDK7 subfamily","Non-receptor tyrosine kinases (nRTKs)","Unc-51-like kinase (ULK) family","CDK1 subfamily","Fak family"}

> <pathway_reactome>
{Disease,Autophagy,"Cell Cycle","Infectious disease",Macroautophagy,Mitotic,"HIV Infection","Leishmania infection","Selective autophagy","Regulation of mitotic cell cycle","HIV Life Cycle","Parasite i
nfection",Mitophagy,"APC/C-mediated degradation of cell cycle proteins","Late Phase of HIV Life Cycle","Leishmania phagocytosis","Receptor Mediated Mitophagy","Activation of APC/C and APC/C:Cdc20 medi
ated degradation of mitotic proteins","Transcription of the HIV genome","FCGR3A-mediated phagocytosis","APC/C:Cdc20 mediated degradation of mitotic proteins","HIV Transcription Elongation","APC:Cdc20 
mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Tat-mediated elongation of the HIV-1 transcript","Cdc20:Phospho-APC/C mediated degradation of Cyclin A",
"Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{CDK1,CDK2,CDK7,GSK3B,IKBKB}

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

> <synonyms>
{F57322,869288-64-2,869288642,PF-573228,PF573228,"PF 573228",PF-228,PF228,CHEMBL514554,cc-288,cc288,MLS006011194,SCHEMBL5212404,C22H20F3N5O3S,CHEBI:91446,AOB6346,DTXSID10469447,HMS3262N09,HMS3651A08,H
MS3672C09,BCP03672,EX-A2132,EXA2132,Tox21_500864,Tox21500864,Tox21-500864,"Tox21 500864",2638AH,BDBM50269948,MFCD11519967,s,T2001,3239,S2013}

> <pdid>
PD003320

> <targets>
{FAK}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{11612883}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13776

> <plate>
PLATE 001

> <well>
H6

> <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_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -6.4995    5.2440    0.0000 N   0  0
   -7.7117    6.1057    0.0000 C   0  0
   -7.2460    7.5316    0.0000 C   0  0
   -5.7460    7.5292    0.0000 N   0  0
   -5.2847    6.1019    0.0000 C   0  0
   -8.1258    8.7465    0.0000 C   0  0
   -9.0982    0.7427    0.0000 C   0  0
   -9.0991   -0.7573    0.0000 F   0  0
  -10.3970    1.4931    0.0000 F   0  0
  -10.3976   -0.0067    0.0000 F   0  0
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8915    3.7585    0.0000 N   0  0
    3.8863    5.2585    0.0000 C   0  0
    2.5847    6.0040    0.0000 C   0  0
    1.2883    5.2495    0.0000 C   0  0
    1.2934    3.7495    0.0000 N   0  0
   -0.0140    5.9954    0.0000 C   0  0
   -0.0217    7.4954    0.0000 N   0  0
   -1.3245    8.2388    0.0000 C   0  0
   -2.6197    7.4823    0.0000 C   0  0
   -2.6122    5.9823    0.0000 N   0  0
   -1.3094    5.2389    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 17  1  0
 19 22  1  0
 13 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
  3 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 28  1  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 34  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13777

> <plate>
PLATE 001

> <well>
H7

> <supplier_cmpd_name>
Radotinib

> <ctcr_id>
11153

> <supplier_cmpd_id>
T2328

> <smiles>
Cc1c(cc(cc1)C(=O)Nc1cc(cc(c1)n1cc(nc1)C)C(F)(F)F)Nc1nccc(n1)c1nccnc1

> <pd_targets>
{ABL1,PDGFRB}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Abl family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 
receptor family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Infectious disease","Intracellular signaling by second messengers","Leishmania infection","PIP3 activates AKT signaling","Parasite infection","Negative regulation of th
e PI3K/AKT network","Leishmania phagocytosis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{}

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

> <synonyms>
{Radotinib,926037-48-1,926037481,supect,IY-5511,IY5511,Radotinib(IY-5511),Radotinib(IY5511),UNII-I284LJY110,UNIII284LJY110,I284LJY110,"926037-48-1 (free base)","926037481 (free base)",IY5511HCl,"Radot
inib (INN)","Radotinib (IY-5511)","Radotinib (IY5511)","Radotinib; IY-5511;","Radotinib; IY5511;",GTPL7814,SCHEMBL3359952,CHEMBL4297524,DTXSID90239069,AOB8,T2328}

> <pdid>
PD046857

> <targets>
{Bcr-Abl,Bcr-Abl1}

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

> <pubchem_cids>
{16063245}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 13 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11  5  1  0
 11 12  2  0
 12  2  1  0
 12 13  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13778

> <plate>
PLATE 001

> <well>
H8

> <supplier_cmpd_name>
Daphnetin

> <ctcr_id>
4751

> <supplier_cmpd_id>
T2851

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

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

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

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

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

> <broad_targets>
{}

> <broad_moa>
{"protein kinase inhibitor"}

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

> <pdid>
PD001265

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

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

> <pubchem_cids>
{5280569}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 62 69  0  0  1  0            999 V2000
    3.8794    3.7535    0.0000 O   0  0
    5.1821    3.0099    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0  1  0  0  0
    3.8939    0.7546    0.0000 O   0  0
    3.8990   -0.7455    0.0000 C   0  0  2  0  0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0  2  0  0  0
   -3.8978   -0.7496    0.0000 C   0  0  1  0  0  0
   -5.1981   -1.4975    0.0000 C   0  0
   -5.2005   -2.9975    0.0000 C   0  0
   -6.5007   -3.7455    0.0000 C   0  0
   -7.7985   -2.9934    0.0000 C   0  0
   -7.7962   -1.4934    0.0000 C   0  0
   -9.0963   -0.7436    0.0000 O   0  0
  -10.3962   -1.4938    0.0000 C   0  0  1  0  0  0
  -10.3934   -2.9939    0.0000 O   0  0
  -11.6911   -3.7463    0.0000 C   0  0  2  0  0  0
  -11.6852   -5.2471    0.0000 C   0  0
  -10.3837   -5.9929    0.0000 O   0  0
  -12.9915   -2.9987    0.0000 C   0  0  1  0  0  0
  -14.2891   -3.7512    0.0000 O   0  0
  -12.9943   -1.4987    0.0000 C   0  0  2  0  0  0
  -14.2947   -0.7512    0.0000 O   0  0
  -11.6967   -0.7463    0.0000 C   0  0  1  0  0  0
  -11.6995    0.7537    0.0000 O   0  0
   -6.4959   -0.7455    0.0000 C   0  0
   -6.4936    0.7545    0.0000 C   0  0
   -7.7914    1.5066    0.0000 O   0  0
   -5.1933    1.5025    0.0000 C   0  0
   -5.1910    3.0025    0.0000 C   0  0
   -6.4888    3.7545    0.0000 O   0  0
   -3.8907    3.7504    0.0000 C   0  0
   -2.5929    2.9983    0.0000 C   0  0
   -2.5953    1.4984    0.0000 C   0  0
   -3.8955    0.7504    0.0000 C   0  0
   -1.2904    3.7440    0.0000 C   0  0
   -1.2854    5.2440    0.0000 O   0  0
    0.0064    2.9901    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -3.8971   -5.2500    0.0000 C   0  0
   -2.5980   -6.0000    0.0000 C   0  0
   -1.2990   -5.2500    0.0000 C   0  0
    0.0000   -6.0000    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2991   -3.7500    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1953   -6.0031    0.0000 C   0  0
   -6.4956   -5.2554    0.0000 O   0  0
   -5.1932   -7.5031    0.0000 O   0  0
    5.2007   -1.4909    0.0000 C   0  0  2  0  0  0
    5.2059   -2.9909    0.0000 O   0  0
    6.4972   -0.7364    0.0000 C   0  0  1  0  0  0
    7.7988   -1.4819    0.0000 O   0  0
    6.4920    0.7636    0.0000 C   0  0  2  0  0  0
    7.7884    1.5180    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  1
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 12 11  1  1
 12 13  1  0
 13 14  1  1
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 20 19  1  1
 20 21  1  0
 21 22  1  0
 22 23  1  6
 23 24  1  0
 22 25  1  0
 25 26  1  1
 25 27  1  0
 27 28  1  6
 27 29  1  0
 29 20  1  0
 29 30  1  1
 18 31  2  0
 31 14  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  0
 35 36  1  0
 35 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 13  1  0
 40 34  1  0
 38 41  1  0
 41 42  1  0
 41 43  2  0
 12 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  2  0
 47 48  1  0
 48 49  1  0
 48 50  2  0
 50 44  1  0
 50 51  1  0
 51 52  2  0
 51 53  1  0
 53  7  1  0
 53 11  2  0
 46 54  1  0
 54 55  1  0
 54 56  2  0
  5 57  1  0
 57 58  1  1
 57 59  1  0
 59 60  1  6
 59 61  1  0
 61  3  1  0
 61 62  1  1
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13779

> <plate>
PLATE 001

> <well>
H9

> <supplier_cmpd_name>
Sennoside B

> <ctcr_id>
878

> <supplier_cmpd_id>
T2734

> <smiles>
OC[C@H]1O[C@H](Oc2cccc3[C@H]([C@H]4c5cccc(O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)c5C(=O)c7c(O)cc(cc47)C(O)=O)c8cc(cc(O)c8C(=O)c23)C(O)=O)[C@H](O)[C@@H](O)[C@@H]1O

> <pd_targets>
{AQP3,POL,REP,SERPINE1,USP2,HKDC1,L3MBTL1,TDP1,KDM4A}

> <pathway_gtopdb>
{Enzyme,Hydrolase,"Secreted protein",Transferase,"Epigenetic regulator",Protease,Reader,Eraser,"Cysteine protease","Methyl-lysine/arginine binding protein","Lysine demethylase","Cysteine protease CA c
lan","MBT domain","Jumonji domain-containing","Cysteine protease C19 family"}

> <pathway_chembl>
{"Ion channels","Other ion channels",Aquaporins,"Other protein targets","Anti-infective targets","Viral protein targets","Coronavirus (CoV) proteins",Enzymes,"Peptidases and proteinases","Chromatin mo
difying enzymes","CA: Cysteine (C) Peptidases","1.14.11.- Histone demethylases","C19: Ubiquitin-specific protease"}

> <pathway_reactome>
{"Transport of small molecules","Aquaporin-mediated transport","Passive transport by Aquaporins",Disease,"Gene expression (Transcription)","Infectious disease","RNA Polymerase II Transcription","SARS-
CoV Infections","Generic Transcription Pathway","SARS-CoV-2 Infection","Transcriptional activity of SMAD2/SMAD3:SMAD4 heterotrimer","SARS-CoV-2 Genome Replication and Transcription","SMAD2/SMAD3:SMAD4
 heterotrimer regulates transcription","Replication of the SARS-CoV-2 genome","DNA Repair","DNA Double-Strand Break Repair","Nonhomologous End-Joining (NHEJ)","DNA Double Strand Break Response","Trans
criptional Regulation by TP53","Recruitment and ATM-mediated phosphorylation of repair and signaling proteins at DNA double strand breaks","Regulation of TP53 Activity","Regulation of TP53 Expression 
and Degradation","Regulation of TP53 Activity through Methylation","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Spectrum_001896,Spectrum001896,Spectrum-001896,"Spectrum 001896",SpecPlus_000129,SpecPlus000129,SpecPlus-000129,"SpecPlus 000129",KBioSS_002426,KBioSS002426,KBioSS-002426,"KBioSS 002426",DivK1c_00622
5,DivK1c006225,DivK1c-006225,"DivK1c 006225",SCHEMBL15216902,KBio1_001169,KBio1001169,KBio1-001169,"KBio1 001169",KBio2_002420,KBio2002420,KBio2-002420,"KBio2 002420",KBio2_004988,KBio2004988,KBio2-00
4988,"KBio2 004988",KBio2_007556,KBio2007556,KBio2-007556,"KBio2 007556",CCG-214771,CCG214771,1504080,"SENNOSIDE B"}

> <pdid>
PD000748

> <targets>
{PDGFR}

> <classes>
{cathartic}

> <pubchem_cids>
{6708563}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -7.7926   -3.0046    0.0000 C   0  0
   -6.4923   -3.7525    0.0000 C   0  0
   -5.1945   -3.0005    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
 11  5  1  0
 11 12  2  0
 12  2  1  0
 12 13  1  0
  9 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13780

> <plate>
PLATE 001

> <well>
H10

> <supplier_cmpd_name>
7,8-Dihydroxyflavone

> <ctcr_id>
3285

> <supplier_cmpd_id>
T2816

> <smiles>
Oc1ccc2C(=O)C=C(Oc2c1O)c3ccccc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{8DIHYDROXYFLAVON,"7,8-dihydroxyflavone","7,8dihydroxyflavone",38183-03-8,38183038,"7,8-dihydroxy-2-phenyl-4H-chromen-4-one","7,8dihydroxy2phenyl4Hchromen4one","7,8-DHF","7,8DHF","4H-1-Benzopyran-4-on
e, 7,8-dihydroxy-2-phenyl-","4H1Benzopyran4one, 7,8dihydroxy2phenyl","7,8-Dihydroxy-flavone","7,8Dihydroxyflavone","7,8-Dihydroxy-2-phenyl-chromen-4-one","7,8Dihydroxy2phenylchromen4one","7,8-Dihydrox
yflavone hydrate","7,8Dihydroxyflavone hydrate",7,8-D,8D,T2816,201315,"7,8-Dihydroxyflavone","7,8-DIHYDROXYFLAVONE"}

> <pdid>
PD002189

> <targets>
{"Trk receptor"}

> <classes>
{antihaemorrhagic,"vascular protectant"}

> <pubchem_cids>
{1880}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 44 48  0  0  1  0            999 V2000
   -0.0030   -2.9951    0.0000 O   0  0
    1.2935   -3.7495    0.0000 C   0  0  1  0  0  0
    2.5951   -3.0039    0.0000 C   0  0  1  0  0  0
    3.8915   -3.7585    0.0000 O   0  0
    3.8864   -5.2585    0.0000 C   0  0  1  0  0  0
    2.5847   -6.0040    0.0000 C   0  0  2  0  0  0
    1.2883   -5.2495    0.0000 C   0  0  2  0  0  0
   -0.0133   -5.9950    0.0000 O   0  0
    2.5796   -7.5040    0.0000 O   0  0
    5.1851   -6.0107    0.0000 C   0  0
    6.4856   -5.2633    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -2.5981    3.0000    0.0000 C   0  0  2  0  0  0
   -3.8971    3.7500    0.0000 C   0  0  1  0  0  0
   -5.1962    3.0000    0.0000 C   0  0  2  0  0  0
   -5.1962    1.5000    0.0000 C   0  0  1  0  0  0
   -3.8971    0.7500    0.0000 C   0  0
   -6.4952    0.7500    0.0000 O   0  0
   -6.2918    4.0165    0.0000 C   0  0  1  0  0  0
   -7.7605    3.7195    0.0000 C   0  0  1  0  0  0
   -8.7527    4.8444    0.0000 O   0  0
   -8.2392    2.2971    0.0000 C   0  0
   -9.7103    1.9996    0.0000 C   0  0
  -10.1891    0.5772    0.0000 C   0  0
  -11.6601    0.2797    0.0000 C   0  0
  -12.1386   -1.1419    0.0000 C   0  0
  -12.6524    1.4046    0.0000 C   0  0
   -9.2308    3.4229    0.0000 C   0  0
   -5.6730    5.3829    0.0000 C   0  0
   -4.1822    5.2166    0.0000 C   0  0
   -3.0830    4.3307    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -2.5981    4.0000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981    0.0000    0.0000 C   0  0
    1.2636    2.2496    0.0000 C   0  0
    2.5801   -0.0303    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  6
  6  9  1  1
  5 10  1  6
 10 11  1  0
  3 12  1  6
 13 12  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 20 19  1  6
 20 21  1  0
 21 22  1  0
 17 22  1  1
 21 23  1  1
 20 24  1  0
 24 25  1  0
 25 26  1  6
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  3
 30 31  1  0
 30 32  1  0
 25 33  1  0
 24 34  1  1
 34 35  1  0
 35 19  1  0
 19 36  1  6
 18 37  1  0
 37 38  1  0
 15 38  1  1
 18 39  1  1
 16 40  1  0
 40 41  1  0
 41 13  1  0
 16 42  1  1
 14 43  1  0
 14 44  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13781

> <plate>
PLATE 001

> <well>
H11

> <supplier_cmpd_name>
Ginsenoside Rh2

> <ctcr_id>
11521

> <supplier_cmpd_id>
T2959

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

> <pd_targets>
{KCNH2}

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

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

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

> <broad_targets>
{KCNH2}

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

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

> <pdid>
PD052637

> <targets>
{EGFR}

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

> <pubchem_cids>
{119307}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

243 55  0  0  1  0            999 V2000
  479.0042    2.3492    0.0000 O   0  0
  476.5042    2.3492    0.0000 Al  0  0  0  0  0  3
    5.2029   -2.9932    0.0000 O   0  0
    5.2003   -1.4932    0.0000 S   0  0
    6.4983   -0.7414    0.0000 O   0  0
    6.5005   -2.2411    0.0000 O   0  0
    3.8990   -0.7455    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3042    3.7496    0.0000 C   0  0  2  0  0  0
    2.6032    2.9978    0.0000 C   0  0
    3.9042    3.7459    0.0000 O   0  0
    5.2031    2.9941    0.0000 S   0  0
    6.5035    3.7418    0.0000 O   0  0
    6.5010    2.2420    0.0000 O   0  0
    5.2010    1.4941    0.0000 O   0  0
    2.5188    4.5661    0.0000 O   0  0
    2.0571    5.9933    0.0000 C   0  0  2  0  0  0
    2.9417    7.2025    0.0000 O   0  0
    4.4339    7.0415    0.0000 S   0  0
    5.3196    8.2521    0.0000 O   0  0
    5.0399    5.6694    0.0000 O   0  0
    5.9252    6.8800    0.0000 O   0  0
    0.5571    5.9952    0.0000 C   0  0  1  0  0  0
   -0.3195    7.2102    0.0000 O   0  0
    0.2946    8.5796    0.0000 S   0  0
   -0.5830    9.7961    0.0000 O   0  0
    1.7868    8.7319    0.0000 O   0  0
    0.9090    9.9480    0.0000 O   0  0
    0.0917    4.5692    0.0000 C   0  0  2  0  0  0
   -1.3239    4.0792    0.0000 O   0  0
   -2.4589    5.0611    0.0000 S   0  0
   -3.8764    4.5702    0.0000 O   0  0
   -2.1758    6.5341    0.0000 O   0  0
   -3.5929    6.0430    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  2  0  0  0
   -2.5973    1.5031    0.0000 O   0  0
   -2.5951    3.0039    0.0000 S   0  0
   -3.8926    3.7566    0.0000 O   0  0
   -1.7282    3.5024    0.0000 O   0  0
   -2.5923    4.5039    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 S   0  0
   -5.1996   -1.4928    0.0000 O   0  0
   -3.8964    0.7545    0.0000 O   0  0
   -5.1966    0.0070    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 S   0  0
   -1.3070   -5.2494    0.0000 O   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -2.6044   -4.4969    0.0000 O   0  0
  474.0042    2.3492    0.0000 O   0  0
  471.5042    2.3492    0.0000 Al  0  0  0  0  0  3
  469.0042    2.3492    0.0000 O   0  0
  466.5042    2.3492    0.0000 Al  0  0  0  0  0  3
  464.0042    2.3492    0.0000 O   0  0
  461.5042    2.3492    0.0000 Al  0  0  0  0  0  3
  459.0042    2.3492    0.0000 O   0  0
  456.5042    2.3492    0.0000 Al  0  0  0  0  0  3
  454.0042    2.3492    0.0000 O   0  0
  451.5042    2.3492    0.0000 Al  0  0  0  0  0  3
  449.0042    2.3492    0.0000 O   0  0
  446.5042    2.3492    0.0000 Al  0  0  0  0  0  3
  444.0042    2.3492    0.0000 O   0  0
  441.5042    2.3492    0.0000 Al  0  0  0  0  0  3
  439.0042    2.3492    0.0000 O   0  0
  436.5042    2.3492    0.0000 Al  0  0  0  0  0  3
  434.0042    2.3492    0.0000 O   0  0
  431.5042    2.3492    0.0000 O   0  0
  429.0042    2.3492    0.0000 O   0  0
  426.5042    2.3492    0.0000 O   0  0
  424.0042    2.3492    0.0000 O   0  0
  421.5042    2.3492    0.0000 O   0  0
  419.0042    2.3492    0.0000 O   0  0
  416.5042    2.3492    0.0000 O   0  0
  414.0042    2.3492    0.0000 O   0  0
  411.5042    2.3492    0.0000 O   0  0
  409.0042    2.3492    0.0000 O   0  0
  406.5042    2.3492    0.0000 O   0  0
  404.0042    2.3492    0.0000 O   0  0
  401.5042    2.3492    0.0000 O   0  0
  399.0042    2.3492    0.0000 O   0  0
  396.5042    2.3492    0.0000 O   0  0
  394.0042    2.3492    0.0000 O   0  0
  391.5042    2.3492    0.0000 O   0  0
  389.0042    2.3492    0.0000 O   0  0
  386.5042    2.3492    0.0000 O   0  0
  384.0042    2.3492    0.0000 O   0  0
  381.5042    2.3492    0.0000 O   0  0
  379.0042    2.3492    0.0000 O   0  0
  376.5042    2.3492    0.0000 O   0  0
  374.0042    2.3492    0.0000 O   0  0
  371.5042    2.3492    0.0000 O   0  0
  369.0042    2.3492    0.0000 O   0  0
  366.5042    2.3492    0.0000 O   0  0
  364.0042    2.3492    0.0000 O   0  0
  361.5042    2.3492    0.0000 O   0  0
  359.0042    2.3492    0.0000 O   0  0
  356.5042    2.3492    0.0000 O   0  0
  354.0042    2.3492    0.0000 O   0  0
  351.5042    2.3492    0.0000 O   0  0
  349.0042    2.3492    0.0000 O   0  0
  346.5042    2.3492    0.0000 O   0  0
  344.0042    2.3492    0.0000 O   0  0
  341.5042    2.3492    0.0000 O   0  0
  339.0042    2.3492    0.0000 O   0  0
  336.5042    2.3492    0.0000 O   0  0
  334.0042    2.3492    0.0000 O   0  0
  331.5042    2.3492    0.0000 O   0  0
  329.0042    2.3492    0.0000 O   0  0
  326.5042    2.3492    0.0000 O   0  0
  324.0042    2.3492    0.0000 O   0  0
  321.5042    2.3492    0.0000 O   0  0
  319.0042    2.3492    0.0000 O   0  0
  316.5042    2.3492    0.0000 O   0  0
  314.0042    2.3492    0.0000 O   0  0
  311.5042    2.3492    0.0000 O   0  0
  309.0042    2.3492    0.0000 O   0  0
  306.5042    2.3492    0.0000 O   0  0
  304.0042    2.3492    0.0000 O   0  0
  301.5042    2.3492    0.0000 O   0  0
  299.0042    2.3492    0.0000 O   0  0
  296.5042    2.3492    0.0000 O   0  0
  294.0042    2.3492    0.0000 O   0  0
  291.5042    2.3492    0.0000 O   0  0
  289.0042    2.3492    0.0000 O   0  0
  286.5042    2.3492    0.0000 O   0  0
  284.0042    2.3492    0.0000 O   0  0
  281.5042    2.3492    0.0000 O   0  0
  279.0042    2.3492    0.0000 O   0  0
  276.5042    2.3492    0.0000 O   0  0
  274.0042    2.3492    0.0000 O   0  0
  271.5042    2.3492    0.0000 O   0  0
  269.0042    2.3492    0.0000 O   0  0
  266.5042    2.3492    0.0000 O   0  0
  264.0042    2.3492    0.0000 O   0  0
  261.5042    2.3492    0.0000 O   0  0
  259.0042    2.3492    0.0000 O   0  0
  256.5042    2.3492    0.0000 O   0  0
  254.0042    2.3492    0.0000 O   0  0
  251.5042    2.3492    0.0000 O   0  0
  249.0042    2.3492    0.0000 O   0  0
  246.5042    2.3492    0.0000 O   0  0
  244.0042    2.3492    0.0000 O   0  0
  241.5042    2.3492    0.0000 O   0  0
  239.0042    2.3492    0.0000 O   0  0
  236.5042    2.3492    0.0000 O   0  0
  234.0042    2.3492    0.0000 O   0  0
  231.5042    2.3492    0.0000 O   0  0
  229.0042    2.3492    0.0000 O   0  0
  226.5042    2.3492    0.0000 O   0  0
  224.0042    2.3492    0.0000 O   0  0
  221.5042    2.3492    0.0000 O   0  0
  219.0042    2.3492    0.0000 O   0  0
  216.5042    2.3492    0.0000 O   0  0
  214.0042    2.3492    0.0000 O   0  0
  211.5042    2.3492    0.0000 O   0  0
  209.0042    2.3492    0.0000 O   0  0
  206.5042    2.3492    0.0000 O   0  0
  204.0042    2.3492    0.0000 O   0  0
  201.5042    2.3492    0.0000 O   0  0
  199.0042    2.3492    0.0000 O   0  0
  196.5042    2.3492    0.0000 O   0  0
  194.0042    2.3492    0.0000 O   0  0
  191.5042    2.3492    0.0000 O   0  0
  189.0042    2.3492    0.0000 O   0  0
  186.5042    2.3492    0.0000 O   0  0
  184.0042    2.3492    0.0000 O   0  0
  181.5042    2.3492    0.0000 O   0  0
  179.0042    2.3492    0.0000 O   0  0
  176.5042    2.3492    0.0000 O   0  0
  174.0042    2.3492    0.0000 O   0  0
  171.5042    2.3492    0.0000 O   0  0
  169.0042    2.3492    0.0000 O   0  0
  166.5042    2.3492    0.0000 O   0  0
  164.0042    2.3492    0.0000 O   0  0
  161.5042    2.3492    0.0000 O   0  0
  159.0042    2.3492    0.0000 O   0  0
  156.5042    2.3492    0.0000 O   0  0
  154.0042    2.3492    0.0000 O   0  0
  151.5042    2.3492    0.0000 O   0  0
  149.0042    2.3492    0.0000 O   0  0
  146.5042    2.3492    0.0000 O   0  0
  144.0042    2.3492    0.0000 O   0  0
  141.5042    2.3492    0.0000 O   0  0
  139.0042    2.3492    0.0000 O   0  0
  136.5042    2.3492    0.0000 O   0  0
  134.0042    2.3492    0.0000 O   0  0
  131.5042    2.3492    0.0000 O   0  0
  129.0042    2.3492    0.0000 O   0  0
  126.5042    2.3492    0.0000 O   0  0
  124.0042    2.3492    0.0000 O   0  0
  121.5042    2.3492    0.0000 O   0  0
  119.0042    2.3492    0.0000 O   0  0
  116.5042    2.3492    0.0000 O   0  0
  114.0042    2.3492    0.0000 O   0  0
  111.5042    2.3492    0.0000 O   0  0
  109.0042    2.3492    0.0000 O   0  0
  106.5042    2.3492    0.0000 O   0  0
  104.0042    2.3492    0.0000 O   0  0
  101.5042    2.3492    0.0000 O   0  0
   99.0042    2.3492    0.0000 O   0  0
   96.5042    2.3492    0.0000 O   0  0
   94.0042    2.3492    0.0000 O   0  0
   91.5042    2.3492    0.0000 O   0  0
   89.0042    2.3492    0.0000 O   0  0
   86.5042    2.3492    0.0000 O   0  0
   84.0042    2.3492    0.0000 O   0  0
   81.5042    2.3492    0.0000 O   0  0
   79.0042    2.3492    0.0000 O   0  0
   76.5042    2.3492    0.0000 O   0  0
   74.0042    2.3492    0.0000 O   0  0
   71.5042    2.3492    0.0000 O   0  0
   69.0042    2.3492    0.0000 O   0  0
   66.5042    2.3492    0.0000 O   0  0
   64.0042    2.3492    0.0000 O   0  0
   61.5042    2.3492    0.0000 O   0  0
   59.0042    2.3492    0.0000 O   0  0
   56.5042    2.3492    0.0000 O   0  0
   54.0042    2.3492    0.0000 O   0  0
   51.5042    2.3492    0.0000 O   0  0
   49.0042    2.3492    0.0000 O   0  0
   46.5042    2.3492    0.0000 O   0  0
   44.0042    2.3492    0.0000 O   0  0
   41.5042    2.3492    0.0000 O   0  0
   39.0042    2.3492    0.0000 O   0  0
   36.5042    2.3492    0.0000 O   0  0
   34.0042    2.3492    0.0000 O   0  0
   31.5042    2.3492    0.0000 O   0  0
   29.0042    2.3492    0.0000 O   0  0
   26.5042    2.3492    0.0000 O   0  0
   24.0042    2.3492    0.0000 O   0  0
   21.5042    2.3492    0.0000 O   0  0
   19.0042    2.3492    0.0000 O   0  0
   16.5042    2.3492    0.0000 O   0  0
   14.0042    2.3492    0.0000 O   0  0
   11.5042    2.3492    0.0000 O   0  0
    9.0042    2.3492    0.0000 O   0  0
  3  4  1  0
  4  5  2  0
  4  6  2  0
  4  7  1  0
  7  8  1  0
  9  8  1  6
  9 10  1  0
 10 11  1  0
 11 12  1  6
 13 12  1  1
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  2  0
 16 19  1  0
 13 20  1  0
 20 21  1  0
 21 22  1  1
 22 23  1  0
 23 24  2  0
 23 25  2  0
 23 26  1  0
 21 27  1  0
 27 28  1  6
 28 29  1  0
 29 30  2  0
 29 31  2  0
 29 32  1  0
 27 33  1  0
 33 13  1  0
 33 34  1  1
 34 35  1  0
 35 36  2  0
 35 37  2  0
 35 38  1  0
 11 39  1  0
 39 40  1  1
 40 41  1  0
 41 42  2  0
 41 43  2  0
 41 44  1  0
 39 45  1  0
 45 46  1  6
 46 47  1  0
 47 48  2  0
 47 49  2  0
 47 50  1  0
 45 51  1  0
 51  9  1  0
 51 52  1  1
 52 53  1  0
 53 54  2  0
 53 55  2  0
 53 56  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13782

> <plate>
PLATE 002

> <well>
A2

> <supplier_cmpd_name>
Sucralfate

> <ctcr_id>
13677

> <supplier_cmpd_id>
T1338

> <smiles>
O.[AlH3].OS(=O)(=O)OC[C@H]1O[C@@H](O[C@]2(COS(=O)(=O)O)O[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]2OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O.O.[AlH3].O.[AlH3].O.[AlH3].O.[Al
H3].O.[AlH3].O.[AlH3].O.[AlH3].O.[AlH3].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.
O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{T1338,Sucralfate}

> <pdid>
PD074349

> <targets>
{FGF2,"Fibrinogen chain",Pepsin,PGF}

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

> <pubchem_cids>
{133640188}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 46 51  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 O   0  0
    1.2960    5.2539    0.0000 C   0  0
   -0.0056    5.9995    0.0000 C   0  0
   -0.0108    7.4995    0.0000 C   0  0
    1.2856    8.2540    0.0000 C   0  0
    1.2835    9.7548    0.0000 N   0  0
    2.5817   10.5079    0.0000 C   0  0
    3.8821    9.7601    0.0000 O   0  0
    2.5796   12.0087    0.0000 C   0  0
    1.9430   13.2402    0.0000 C   0  0
    1.1951   11.9400    0.0000 C   0  0
    3.8784   12.7616    0.0000 C   0  0
    5.1785   12.0134    0.0000 O   0  0
    3.8768   14.2624    0.0000 N   0  0
    5.1752   15.0151    0.0000 C   0  0
    5.1758   16.5151    0.0000 C   0  0
    6.4751   17.2647    0.0000 C   0  0
    7.7739   16.5143    0.0000 C   0  0
    9.0732   17.2639    0.0000 F   0  0
    7.7734   15.0143    0.0000 C   0  0
    6.4741   14.2647    0.0000 C   0  0
    2.5873    7.5085    0.0000 C   0  0
    2.5924    6.0085    0.0000 C   0  0
    3.8941    5.2631    0.0000 F   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.9099   -8.2497    0.0000 C   0  0
   -3.9099   -9.7497    0.0000 C   0  0
   -2.6109  -10.4997    0.0000 O   0  0
   -1.3119   -9.7497    0.0000 C   0  0
   -1.3118   -8.2497    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 15  1  0
 15 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 27 21  1  0
 11 28  1  0
 28 29  2  0
 29  8  1  0
 29 30  1  0
  6 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34  5  1  0
 34 35  1  0
 35 36  2  0
 36  3  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 44 45  1  0
 45 46  1  0
 46 41  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13783

> <plate>
PLATE 002

> <well>
A3

> <supplier_cmpd_name>
Foretinib

> <ctcr_id>
2909

> <supplier_cmpd_id>
T3113

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

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

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

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

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

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

> <broad_moa>
{"VEGFR inhibitor"}

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

> <pdid>
PD003567

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

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{42642645}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 N   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 N   0  0
   -5.1821   -3.0099    0.0000 N   0  0
   -3.8787   -3.7540    0.0000 C   0  0
   -3.8682   -5.2539    0.0000 C   0  0
   -2.5640   -5.9949    0.0000 C   0  0
   -1.2702   -5.2360    0.0000 C   0  0
   -1.2805   -3.7360    0.0000 C   0  0
   -2.5847   -2.9950    0.0000 C   0  0
    0.0347   -5.9773    0.0000 N   0  0
    0.0475   -7.4773    0.0000 C   0  0
    1.3529   -8.2163    0.0000 C   0  0
    2.6455   -7.4552    0.0000 N   0  0
    2.6328   -5.9553    0.0000 C   0  0
    1.3274   -5.2164    0.0000 C   0  0
    3.9509   -8.1942    0.0000 C   0  0
   -5.1611   -6.0160    0.0000 O   0  0
   -5.1486   -7.5160    0.0000 C   0  0
   -5.2060    2.9909    0.0000 Cl  0  0
    0.0000    3.0008    0.0000 S   0  0
   -1.2993    3.7504    0.0000 O   0  0
   -0.0007    4.5008    0.0000 O   0  0
    1.2993    3.7521    0.0000 N   0  0
    1.2992    5.2521    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 24 27  1  0
 16 28  1  0
 28 29  1  0
  9 30  1  0
  3 31  1  0
 31 32  2  0
 31 33  2  0
 31 34  1  0
 34 35  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13784

> <plate>
PLATE 002

> <well>
A4

> <supplier_cmpd_name>
ALK inhibitor 2

> <ctcr_id>
11895

> <supplier_cmpd_id>
T3041

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD012593

> <targets>
{ALK}

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

> <pubchem_cids>
{66577032}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 32 34  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -6.4842    5.2598    0.0000 C   0  0
   -6.4790    6.7598    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 C   0  0
   -3.9117   -8.2482    0.0000 C   0  0
   -3.9148   -9.7490    0.0000 C   0  0
   -5.2156  -10.4976    0.0000 C   0  0
   -6.5133   -9.7453    0.0000 O   0  0
   -5.2187  -11.9984    0.0000 N   0  0
   -6.5188  -12.7465    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 15 17  1  0
 17 18  3  0
  9 19  2  0
 19  5  1  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13785

> <plate>
PLATE 002

> <well>
A5

> <supplier_cmpd_name>
CUDC-101

> <ctcr_id>
1901

> <supplier_cmpd_id>
T3108

> <smiles>
COc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCCCCCC(=O)NO

> <pd_targets>
{HDAC4,ERBB2,HDAC9,HDAC10,EGFR,HDAC7,ABL1,HDAC1,HDAC3,HDAC8,LCK,HDAC5,LYN,HDAC2,HDAC6,FLT3,RET,FGFR2,KDR,SRC,HDAC11}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Eraser,Kinase,"Histone deacetylase","Protein Kinase","HDAC class IIa","TK protein kinase group","HDAC class IIb","HDAC class I","Tyrosine protein kinase EGFR family","Ty
rosine protein kinase Abl family","Tyrosine protein kinase Src family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Ret family","Tyrosine protein kinase FGFR family","Tyrosine prote
in kinase VEGFR family"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Catalytic receptors","3.5.1.- Histone deacetylases (HDACs)","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor 
tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Abl family","Src family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Type V RT
Ks: FGF (fibroblast growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Developmental Biology",Disease,"Signal Transduction","Cell Cycle","RNA Polymerase II Transcription","Nervous system development","Diseases of signal transduction by
 growth factor receptors and second messengers","Signaling by GPCR","Infectious disease","Disorders of Developmental Biology",Mitotic,"Signaling by Receptor Tyrosine Kinases","Generic Transcription Pa
thway","Axon guidance","Signaling by NOTCH1 in Cancer","GPCR downstream signalling","Leishmania infection","Disorders of Nervous System Development","M Phase","HIV Infection","Signaling by Insulin rec
eptor","Signaling by FGFR in disease","Signaling by VEGF","Signaling by NTRKs","Transcriptional regulation by RUNX2","Semaphorin interactions","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","G
 alpha (q) signalling events","Parasite infection","Pervasive developmental disorders","Mitotic Metaphase and Anaphase","Host Interactions of HIV factors","Leishmania parasite growth and survival","Tr
anscriptional Regulation by TP53","Insulin receptor signalling cascade","RET signaling","Signaling by FGFR2 in disease","VEGFA-VEGFR2 Pathway","Signaling by NTRK1 (TRKA)","RUNX2 regulates bone develop
ment","Sema4D in semaphorin signaling","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Gastrin-CREB signalling pathway via PKC and MAPK","Leishmania phagocytosis","Loss of function of MECP2
 in Rett syndrome","Mitotic Anaphase","The role of Nef in HIV-1 replication and disease pathogenesis","Anti-inflammatory response favouring Leishmania parasite infection","Regulation of TP53 Activity"
,"IRS-mediated signalling","FGFR2 mutant receptor activation","VEGFR2 mediated cell proliferation","Signalling to ERKs","RUNX2 regulates chondrocyte maturation","Sema4D induced cell migration and grow
th-cone collapse","EGFR Transactivation by Gastrin","FCGR3A-mediated phagocytosis","Loss of MECP2 binding ability to 5mC-DNA","Loss of MECP2 binding ability to the NCoR/SMRT complex","Separation of Si
ster Chromatids","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated IL10 synthesis","Regulation of TP53 Activity through Acetylation","RU
NX2 regulates osteoblast differentiation","PI3K Cascade","Activated point mutants of FGFR2","Signalling to RAS","Nef Mediated CD4 Down-regulation","p38MAPK events"}

> <broad_targets>
{EGFR,ERBB2}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{CUDC-101,CUDC101,1012054-59-9,1012054599,"CUDC 101",UNII-1A7Y9MP123,UNII1A7Y9MP123,CHEMBL598797,1A7Y9MP123,7-(4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl)oxy-N-hydroxyheptanamide,7(4(3ethynylanilin
o)7methoxyquinazolin6yl)oxyNhydroxyheptanamide,PubChem19149,"CUDC-101, Free Base","CUDC101, Free Base",SCHEMBL93769,MLS006010163,GTPL8894,AOB6495,DTXSID00143784,E,T3108,S1194}

> <pdid>
PD011097

> <targets>
{HER2,EGFR,HDAC}

> <classes>
{Epigenetics}

> <pubchem_cids>
{24756910}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 38 43  0  0  0  0            999 V2000
    3.8756   -9.7579    0.0000 C   0  0
    3.8808   -8.2579    0.0000 N   0  0
    5.1824   -7.5124    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 O   0  0
    3.9020    3.7405    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.6012    3.0008    0.0000 N   0  0
   -3.9020    3.7494    0.0000 C   0  0
   -5.1985    2.9949    0.0000 C   0  0
   -5.1934    1.4949    0.0000 Cl  0  0
   -6.5002    3.7404    0.0000 C   0  0
   -6.5054    5.2404    0.0000 C   0  0
   -5.2089    5.9949    0.0000 C   0  0
   -4.9026    7.4624    0.0000 O   0  0
   -3.4113    7.6244    0.0000 C   0  0
   -2.7965    6.2562    0.0000 O   0  0
   -3.9073    5.2494    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 11 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 22  1  0
 31 27  2  0
 20 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 19  1  0
 35 36  2  0
 36  9  1  0
  5 37  1  0
 37 38  1  0
 38  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13786

> <plate>
PLATE 002

> <well>
A6

> <supplier_cmpd_name>
Saracatinib

> <ctcr_id>
1479

> <supplier_cmpd_id>
T6078

> <smiles>
CN1CCN(CCOc2cc(OC3CCOCC3)c4c(Nc5c(Cl)ccc6OCOc56)ncnc4c2)CC1

> <pd_targets>
{SRC,KDR,CSK,YES1,LCK,KIT,ABL1,PKMYT1,EGFR,CDK2,PDGFRA,MAP2K1,MAP2K2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","CMGC protein kinase group","STE protein kinase group","Tyrosine protein kinase Src family","Tyrosine protein kin
ase VEGFR family","Tyrosine protein kinase Csk family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Abl family","Other protein kinase WEE family","Tyrosine protein kinase EGFR famil
y","CMGC protein kinase CDK family","STE protein kinase STE7 family","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TK: Tyrosine kinase","Other protein kinases","Cyclin-dependent kinas
e (CDK) family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","WEE family","CDK1 subfamily","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor 
family","Csk family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Abl family","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Cell Cycle","Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers
","Infectious disease",Mitotic,"Signaling by GPCR","RNA Polymerase II Transcription","Signaling by NTRKs","Signaling by VEGF","Oncogenic MAPK signaling","Leishmania infection","HIV Infection","Signali
ng by KIT in disease","Mitotic G2-G2/M phases","GPCR downstream signalling","Generic Transcription Pathway","Signaling by PDGFR in disease","Signaling by NTRK1 (TRKA)","VEGFA-VEGFR2 Pathway","Signalin
g by RAS mutants","Leishmania parasite growth and survival","Host Interactions of HIV factors","Drug resistance of KIT mutants","Parasite infection","G2/M Transition","G alpha (q) signalling events","
Transcriptional Regulation by TP53","Drug resistance of PDGFR mutants","Signalling to ERKs","VEGFR2 mediated cell proliferation","Signaling downstream of RAS mutants","Anti-inflammatory response favou
ring Leishmania parasite infection","The role of Nef in HIV-1 replication and disease pathogenesis","Dasatinib-resistant KIT mutants","Leishmania phagocytosis","Cyclin A/B1/B2 associated events during
 G2/M transition","Gastrin-CREB signalling pathway via PKC and MAPK","Regulation of TP53 Activity","Imatinib-resistant PDGFR mutants","Signalling to RAS","FCGR3A-mediated IL10 synthesis","Nef-mediates
 down modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","Regulation of TP53 Expression and Degradation","p3
8MAPK events","Nef Mediated CD4 Down-regulation","Regulation of TP53 Degradation"}

> <broad_targets>
{ABL1,LCK,SRC,YES1}

> <broad_moa>
{"SRC inhibitor"}

> <synonyms>
{Saracatinib,379231-04-6,379231046,"Saracatinib (AZD0530)",AZD0530,AZD-0530,"AZD 0530",UNII-9KD24QGH76,UNII9KD24QGH76,"SARACATINIB, FREE BASE",9KD24QGH76,CHEMBL217092,H8H,nchembio866-comp19,nchembio86
6comp19,"Saracatinib (USAN:INN)",2h8h,"Saracatinib,AZD0530","Saracatinib (USAN",T6078,S1006,saracatinib,AZD0530(Saracatinib),SARACATINIB}

> <pdid>
PD003218

> <targets>
{Src-bcr-Abl,"SRC/ABL Inhibitors",ABL,SRC,Autophagy,Src}

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

> <pubchem_cids>
{10302451}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13787

> <plate>
PLATE 002

> <well>
A7

> <supplier_cmpd_name>
Lapatinib Ditosylate

> <ctcr_id>
2541

> <supplier_cmpd_id>
T6235

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

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

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

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

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

> <broad_targets>
{EGFR,ERBB2}

> <broad_moa>
{"EGFR inhibitor"}

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

> <pdid>
PD003505

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

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{9941095}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13788

> <plate>
PLATE 002

> <well>
A8

> <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_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 38 42  0  0  1  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 N   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.9511    0.8815    0.0000 C   0  0
    4.9530    1.9978    0.0000 C   0  0
    4.2010    3.2957    0.0000 C   0  0
    2.7342    2.9815    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -1.3022    5.2508    0.0000 N   0  0
   -2.6030    5.9994    0.0000 C   0  0
   -3.8995    5.2449    0.0000 C   0  0
   -5.2011    5.9904    0.0000 C   0  0
   -5.2063    7.4904    0.0000 C   0  0
   -3.9099    8.2449    0.0000 C   0  0
   -2.6083    7.4994    0.0000 C   0  0
   -1.3127    8.2570    0.0000 O   0  0
   -1.3201    9.7570    0.0000 C   0  0
   -6.5071    8.2390    0.0000 C   0  0
   -7.8049    7.4868    0.0000 O   0  0
   -6.5102    9.7398    0.0000 N   0  0
   -7.8110   10.4884    0.0000 C   0  0
   -7.8163   11.9884    0.0000 C   0  0
   -9.1179   12.7339    0.0000 C   0  0
  -10.4143   11.9795    0.0000 N   0  0
  -11.7159   12.7250    0.0000 C   0  0
  -10.4092   10.4795    0.0000 C   0  0
   -9.1076    9.7340    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  3  2  1  6
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  4 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 21  1  0
 17 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 25  1  0
 12 32  2  0
 32 33  1  0
 33 34  2  0
 34 10  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
 37  3  1  0
 37 38  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13789

> <plate>
PLATE 002

> <well>
A9

> <supplier_cmpd_name>
BI 2536

> <ctcr_id>
1569

> <supplier_cmpd_id>
T6173

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

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

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

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Kinases (EC 2.7.x.x)","Catalytic receptors","Chromatin modifying enzymes","Bromodomain-containing proteins","CAMK: Calcium/calmodulin-dependent protein kina
ses","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CK1: Casein kinase 1","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK famil
ies","Enzymatic bromodomain-containing proteins",Atypical,"Non-enzymatic BRD containing proteins","Lipid modifying kinases","Phosphorylase kinase (PHK) family","STE20 family","CAMK2 family","Protein k
inase D (PKD) family","CAMK-like (CAMKL) family","Protein kinase C (PKC) family","Casein kinase 1 (CK1) family","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","Death-associated kinase (DAPK) family
","RSK family","CLK family","Other protein kinases","DMPK family","Bromodomain kinase (BRDK) family","Mitogen-activated protein kinases (MAP kinases)","RIO family","G protein-coupled receptor kinases 
(GRKs)","CAMK1 family","Cyclin-dependent kinase (CDK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Myosin Light Chain Kinase (MLCK) family","TAF1 family","Ty
pe II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","CAMK-unique family","DCAMKL family","TAO subfamily","SLK subfamily","CH
K1 subfamily","Alpha subfamily","Receptor tyrosine kinases (RTKs)","Interleukin-1 receptor-associated kinase (IRAK) family","Non-receptor tyrosine kinases (nRTKs)","MSN subfamily","RSK subfamily","NIM
A (never in mitosis gene a)- related kinase (NEK) family","Polo-like kinase (PLK) family","GEK subfamily","MELK subfamily","ERK subfamily","NinaC subfamily","RIO1 subfamily","Opsin/rhodopsin kinases",
"Other DMPK family kinases","NAK family","CDK7 subfamily","TTK family","MSK subfamily","HIPK subfamily","NIM1 subfamily","Numb-associated kinase (NAK) family","CAMKK family","STE20 subfamily","HUNK su
bfamily","PEK family","RIO3 subfamily","JNK subfamily","CDK4 subfamily","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","
Fer family","Fak family","Type II RTKs: Insulin receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Abl family","Meta subfamily","Other PEK family kinases","Type III RTKs: 
PDGFR",CSFR,Kit,"FLT3 receptor family","Syk family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family"}

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

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

> <broad_moa>
{"PLK inhibitor"}

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

> <pdid>
PD003209

> <targets>
{PLK,PLK1}

> <classes>
{}

> <pubchem_cids>
{11364421}

$$$$
TargetMol_L2200_Tyrosine kinase 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
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -7.7876   -1.5212    0.0000 C   0  0
   -9.0905   -0.7779    0.0000 O   0  0
   -7.7802   -3.0220    0.0000 N   0  0
   -9.0758   -3.7796    0.0000 C   0  0
   -9.0707   -5.2796    0.0000 C   0  0
  -10.3671   -6.0341    0.0000 C   0  0
  -11.6687   -5.2886    0.0000 C   0  0
  -12.9652   -6.0432    0.0000 C   0  0
  -11.6740   -3.7886    0.0000 C   0  0
  -12.9748   -3.0401    0.0000 N   0  0
  -12.9779   -1.5393    0.0000 C   0  0
  -14.2769   -0.7892    0.0000 N   0  0
  -14.2770    0.7108    0.0000 C   0  0
  -12.9780    1.4608    0.0000 C   0  0
  -11.6789    0.7109    0.0000 C   0  0
  -11.6789   -0.7891    0.0000 N   0  0
  -10.3792    1.4613    0.0000 C   0  0
  -10.3768    2.9613    0.0000 C   0  0
   -9.0766    3.7093    0.0000 C   0  0
   -7.7787    2.9573    0.0000 C   0  0
   -7.7811    1.4573    0.0000 N   0  0
   -9.0813    0.7093    0.0000 C   0  0
  -10.3776   -3.0341    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
 23 37  2  0
 37 18  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13790

> <plate>
PLATE 002

> <well>
A10

> <supplier_cmpd_name>
Imatinib

> <ctcr_id>
1820

> <supplier_cmpd_id>
T6230

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

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

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

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

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

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

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

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

> <pdid>
PD001319

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

> <classes>
{"Tyrosine kinase inhibitor"}

> <pubchem_cids>
{5291}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 39 40  0  0  1  0            999 V2000
    8.8982   -2.9974    0.0000 Cl  0  5
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0  2  0  0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.6051   -5.9945    0.0000 N   0  3
    2.6101   -7.4945    0.0000 O   0  5
    3.9019   -5.2406    0.0000 O   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 O   0  0
   -3.8933   -3.7570    0.0000 C   0  0  2  0  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 N   0  0
   -5.1925   -3.0071    0.0000 C   0  0
   -7.7897   -3.0041    0.0000 C   0  0
   -7.7876   -1.5032    0.0000 C   0  0
   -9.0841   -0.7487    0.0000 C   0  0
   -9.0789    0.7513    0.0000 C   0  0
   -7.7773    1.4968    0.0000 C   0  0
   -6.4808    0.7424    0.0000 C   0  0
   -6.4860   -0.7576    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
    6.3982   -2.9974    0.0000 H   0  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12  6  1  0
 12 13  1  1
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 17 19  1  0
 19 20  1  0
 19 21  2  0
 11 22  1  0
 22 23  2  0
 22 24  1  0
 25 24  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
 29 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 32  1  0
 10 38  1  0
M  CHG  4   1  -1  19   1  20  -1  39   1
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13791

> <plate>
PLATE 002

> <well>
A11

> <supplier_cmpd_name>
Benidipine hydrochloride

> <ctcr_id>
7574

> <supplier_cmpd_id>
T6227

> <smiles>
[Cl-].COC(=O)C1=C(C)NC(=C([C@@H]1c2cccc(c2)[N+]([O-])=O)C(=O)O[C@@H]3CCCN(C3)Cc4ccccc4)C.[H+]

> <pd_targets>
{CACNA1A,CACNA1C,CACNA1D,CACNA1F,CACNA1S,CACNB1,CACNB2,CACNB3,CACNB4,CACNA1B,CACNA1G,CACNA1H,CACNA1I,ABCB1}

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

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

> <pathway_reactome>
{"Neuronal System","Developmental Biology",Metabolism,"Transmission across Chemical Synapses","Nervous system development","Abacavir transport and metabolism","Presynaptic depolarization and calcium c
hannel opening","Axon guidance","Abacavir transmembrane transport","NCAM signaling for neurite out-growth","NCAM1 interactions"}

> <broad_targets>
{CACNA1C,CACNA1G}

> <broad_moa>
{"calcium channel blocker"}

> <synonyms>
{"benidipine hydrochloride",91599-74-5,91599745,"BENIDIPINE HCl","Benidipine (hydrochloride)","rac Benidipine hydrochloride",KW-3049,KW3049,"KW 3049","91599-74-5 (HCl)","91599745 (HCl)",105979-17-7,10
5979177,C28H31N3O6.HCl,"(+-)-Benidipine hydrochloride","(+)Benidipine hydrochloride",129262-07-3,129262073,NCGC00185768-01,NCGC0018576801,Benidipin,S2017,"Benidipine HCl"}

> <pdid>
PD008992

> <targets>
{"Calcium Channel"}

> <classes>
{}

> <pubchem_cids>
{656667,67108126}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    2.4192   -8.3243    0.0000 C   0  0
    1.2028   -7.4466    0.0000 C   0  0
    1.1979   -5.9466    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    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
   -1.1079   -6.7042    0.0000 C   0  0
   -2.6079   -6.7003    0.0000 C   0  0
   -0.2222   -7.9149    0.0000 C   0  0
   -0.6776   -9.3422    0.0000 C   0  0
    0.3320  -10.4528    0.0000 C   0  0
   -0.1241  -11.8826    0.0000 C   0  0
   -1.5898  -12.2019    0.0000 O   0  0
    0.8848  -12.9926    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  3
  6  7  1  0
  7  8  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  2  0
 16 17  1  0
 16 18  1  0
 18  2  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 21 23  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13792

> <plate>
PLATE 002

> <well>
B2

> <supplier_cmpd_name>
Orantinib

> <ctcr_id>
6269

> <supplier_cmpd_id>
T6184

> <smiles>
Cc1[nH]c(C=C2C(=O)Nc3ccccc23)c(C)c1CCC(O)=O

> <pd_targets>
{FGFR1,PDGFRB,AURKB,KDR,FLT1,EGFR,AURKC,ZAP70,PDGFRA,FGFR2,FGFR3,FGFR4}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Other protein kinases","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) family","Non-receptor tyrosine kinases (nRTKs)
","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type I
 RTKs: ErbB (epidermal growth factor) receptor family","Syk family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Cell Cycle","Immune System","Diseases of signal transduction by growth factor receptors and second messengers","Intracellular signaling by second messengers",Mitotic,"S
ignaling by Receptor Tyrosine Kinases","Signaling by GPCR","Adaptive Immune System","Signaling by FGFR in disease","PIP3 activates AKT signaling","M Phase","Signaling by VEGF","GPCR downstream signall
ing","TCR signaling","Signaling by FGFR1 in disease","Negative regulation of the PI3K/AKT network","Mitotic Metaphase and Anaphase","VEGFA-VEGFR2 Pathway","VEGF ligand-receptor interactions","G alpha 
(q) signalling events","Generation of second messenger molecules","FGFR1 mutant receptor activation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Mitotic Anaphase","VEGFR2 mediated cell prolifera
tion","VEGF binds to VEGFR leading to receptor dimerization","Gastrin-CREB signalling pathway via PKC and MAPK","Signaling by activated point mutants of FGFR1","Separation of Sister Chromatids","EGFR 
Transactivation by Gastrin"}

> <broad_targets>
{AURKA,AURKB,EGFR,FGFR1,FGFR2,KDR,PDGFRA,PDGFRB}

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

> <synonyms>
{252916-29-3,252916293,210644-62-5,210644625,"3-(4-(2-Carboxyethyl)-3,5-dimethylpyrrol-2-methylidenyl)-2-indolinone","3(4(2Carboxyethyl)3,5dimethylpyrrol2methylidenyl)2indolinone",Kinome_2849,Kinome28
49,Kinome-2849,"Kinome 2849",CHEMBL2007064,CHEBI:91088,HMS3244A17,HMS3244A18,HMS3244B17,HMS3654J12,BCP01984,NCGC00241113-01,NCGC0024111301,AK109508,NCI60_036760,NCI60036760,NCI60-036760,"NCI60 036760"
,T6184,S1470,Orantinib,TSU-68,"TSU-68 (SU6668, Orantinib)"}

> <pdid>
PD011179

> <targets>
{VEGFR-PDGFR,VEGFR,FGFR,PDGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{206042}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    6.5531   -0.9855    0.0000 Na  0  3
    3.8805   -1.4410    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 O   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8972    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -5.1607    0.0004    0.0000 C   0  0
   -6.4772    2.2803    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5524   -4.4208    0.0000 S   0  0
    4.0524   -4.4203    0.0000 O   0  5
    1.8032   -5.7203    0.0000 O   0  0
    3.3030   -5.7195    0.0000 O   0  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
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  1  0
 14 17  1  0
 17 10  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20  9  1  0
 20 21  1  0
 21  4  2  0
 21 22  1  0
 22 23  1  0
 23  3  2  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 24 27  2  0
M  CHG  2   1   1  25  -1
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13793

> <plate>
PLATE 002

> <well>
B3

> <supplier_cmpd_name>
Tanshinone IIA sulfonate sodium

> <ctcr_id>
2904

> <supplier_cmpd_id>
T2946

> <smiles>
[Na+].Cc1c2C(=O)C(=O)c3c4CCCC(C)(C)c4ccc3c2oc1[S]([O-])(=O)=O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{965980,69659-80-9,69659809,"TANSHINONE IIA SULFONATE SODIUM","Tanshinone II A sodium sulfonate",TanshinoneIIA,"TANSHINONE IIA-SULFONIC SODIUM","TANSHINONE IIASULFONIC SODIUM","Tanshinone IIA sulfonat
e (sodium)","sodium tanshinone IIA sulfonate",TIIAS,UNII-IVJ88KQ4XN,UNIIIVJ88KQ4XN,IVJ88KQ4XN,Danshen-201,Danshen201,S,T2946,1505036,"Tanshinone IIA sulfonate sodium"}

> <pdid>

> <targets>
{"CaMK modulator","CRAC Channel"}

> <classes>
{free radical scavenger,Membrane Transporter/Ion Channel}

> <pubchem_cids>
{23669322}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 N   0  0
    1.2960    5.2539    0.0000 C   0  0
   -0.0056    5.9995    0.0000 C   0  0
   -0.0108    7.4995    0.0000 C   0  0
    1.2856    8.2540    0.0000 C   0  0
    1.2804    9.7540    0.0000 Br  0  0
    2.5873    7.5085    0.0000 C   0  0
    2.5924    6.0085    0.0000 C   0  0
    3.8941    5.2631    0.0000 F   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 N   0  0
   -1.3071   -9.7503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
 14 15  1  0
  6 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19  5  1  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 29 30  1  0
 30 24  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13794

> <plate>
PLATE 002

> <well>
B4

> <supplier_cmpd_name>
Vandetanib

> <ctcr_id>
4018

> <supplier_cmpd_id>
T1656

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

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

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

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

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

> <broad_targets>
{EGFR,EPHA1,EPHA10,EPHA2,EPHA3,EPHA4,EPHA5,EPHA6,EPHA7,EPHA8,EPHB1,EPHB2,EPHB3,EPHB4,EPHB6,ERBB2,ERBB3,ERBB4,FLT1,FLT4,KDR,PTK6,RET,SRC,TEK,VEGFA}

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

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

> <pdid>
PD003329

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

> <classes>
{"Kinase inhibitor"}

> <pubchem_cids>
{3081361}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 15 16  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    2.6060   -2.9986    0.0000 C   0  0
    3.9075   -3.7444    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  8 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15  6  1  0
 15 11  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13795

> <plate>
PLATE 002

> <well>
B5

> <supplier_cmpd_name>
Trapidil

> <ctcr_id>
3751

> <supplier_cmpd_id>
T0080

> <smiles>
CCN(CC)c1cc(C)nc2ncnn12

> <pd_targets>
{MAPK1,LMNA,CYP1A2,PDGFRB,PDE10A,PDE11A,PDE1A,PDE1B,PDE1C,PDE2A,PDE3A,PDE3B,PDE4A,PDE4B,PDE4C,PDE4D,PDE5A,PDE6A,PDE6B,PDE6C,PDE7A,PDE7B,PDE8A,PDE8B,PDE9A}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein",Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 1","CMGC protein kinase group","Cytochrome P450 family 1A","TK protein kinase group","CMGC protein kin
ase MAPK family","Cytochrome P450 1A1","Tyrosine protein kinase PDGFR family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Cytochrome P450","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP1 family","Receptor kinases","Mitogen-activated protein kinases (M
AP kinases)","TK: Tyrosine kinase","ERK subfamily","Receptor tyrosine kinases (RTKs)","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Immune System","Cell Cycle",Metabolism,"Signal Transduction","Innate Immune System",Mitotic,"Biological oxidations","Intracellular signaling by second messengers","Toll-like Receptor Cascades","M Ph
ase","Phase I - Functionalization of compounds","PIP3 activates AKT signaling","Toll Like Receptor 5 (TLR5) Cascade","Mitotic Metaphase and Anaphase","Cytochrome P450 - arranged by substrate type","Ne
gative regulation of the PI3K/AKT network","MyD88 cascade initiated on plasma membrane","Mitotic Anaphase",Xenobiotics,PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","MAP kinase activation","Nuclear
 Envelope (NE) Reassembly","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","
ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{PDGFRA}

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

> <synonyms>
{trapidil,15421-84-8,15421848,Rocornal,Trapymin,Avantrin,Trapymine,"N,N-diethyl-5-methyl-(1,2,4)triazolo(1,5-a)pyrimidin-7-amine","N,Ndiethyl5methyl(1,2,4)triazolo(1,5a)pyrimidin7amine","AR 12008",UNI
I-EYG5Y6355E,UNIIEYG5Y6355E,AR-12008,AR12008,"(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, N,N-diethyl-5-methyl-","(1,2,4)Triazolo(1,5a)pyrimidin7amine, N,Ndiethyl5methyl",7-Diethylamino-5-methyl-,7Diethy
lamino5methyl,T0080,Prestw-1012,Trapidil}

> <pdid>
PD008972

> <targets>
{PDGFR}

> <classes>
{}

> <pubchem_cids>
{5531}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13796

> <plate>
PLATE 002

> <well>
B6

> <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_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13797

> <plate>
PLATE 002

> <well>
B7

> <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_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.6929   -4.0817    0.0000 C   0  0
    0.3385   -5.5341    0.0000 C   0  0
    1.4233   -6.5700    0.0000 C   0  0
    2.8629   -6.1484    0.0000 C   0  0
    3.9505   -7.1827    0.0000 O   0  0
    5.3902   -6.7589    0.0000 C   0  0
    6.4787   -7.7910    0.0000 C   0  0
    7.9168   -7.3644    0.0000 C   0  0
    8.2664   -5.9057    0.0000 C   0  0
    7.1780   -4.8736    0.0000 C   0  0
    5.7399   -5.3001    0.0000 C   0  0
    3.2176   -4.6910    0.0000 C   0  0
    2.1327   -3.6551    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0
   -4.4481   -0.0574    0.0000 C   0  0
   -5.9346    0.1432    0.0000 C   0  0
   -6.8516   -1.0439    0.0000 C   0  0
   -6.2821   -2.4315    0.0000 N   0  0
   -4.7955   -2.6322    0.0000 C   0  0
   -7.1971   -3.6212    0.0000 C   0  0
   -8.6840   -3.4231    0.0000 O   0  0
   -6.6253   -5.0088    0.0000 C   0  0
   -7.5399   -6.1977    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 13 21  1  0
 21 22  2  0
 22 10  1  0
  9 23  1  0
 23  2  1  0
 23  6  2  0
  7 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 28 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13798

> <plate>
PLATE 002

> <well>
B8

> <supplier_cmpd_name>
Ibrutinib

> <ctcr_id>
20

> <supplier_cmpd_id>
T1835

> <smiles>
Nc1ncnc2n(nc(c3ccc(Oc4ccccc4)cc3)c12)C5CCCN(C5)C(=O)C=C

> <pd_targets>
{ITK,TEC,ERBB4,FGR,FYN,ABL1,CSK,JAK3,BLK,BTK,EGFR,BMX,ERBB2,LYN,YES1,PTK6,CYP2C8,GSC2,CYP2C19,LCK,RET,CYP3A4,FRK,HCK,SRC,CYP2B6,FGFR2,CYP2C9,FER,KCNH2,TXK,PRXL2A}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Unclassified protein",Kinase,"Cytochrome P450",Transferase,"Voltage-gated ion channel","Protein Kinase","Cytochrome P450 family 2","Cytochrome P450 family 3","Potassium channels
","TK protein kinase group","Cytochrome P450 family 2C","Cytochrome P450 family 3A","Cytochrome P450 family 2B","Voltage-gated potassium channel","Tyrosine protein kinase Tec family","Tyrosine protein
 kinase EGFR family","Tyrosine protein kinase Src family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Csk family","Tyrosine protein kinase JakA family","Cytochrome P450 2C8","Cytochr
ome P450 2C19","Tyrosine protein kinase Ret family","Cytochrome P450 3A4","Cytochrome P450 2B6","Tyrosine protein kinase FGFR family","Cytochrome P450 2C9","Tyrosine protein kinase Fer family","Tyrosi
ne protein kinase SrcA"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Catalytic receptors","Cytochrome P450","Voltage-gated ion channels","Receptor kinases","CYP2 family: drug metabolising subset","CYP3 family","Potassium channels","TK
: Tyrosine kinase","Voltage-gated potassium channels","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Tec family","Type I RTKs: ErbB (epidermal growth factor) receptor fami
ly","Src family","Abl family","Csk family","Janus kinase (JakA) family","Type XIV RTKs: RET","Type V RTKs: FGF (fibroblast growth factor) receptor family","Fer family"}

> <pathway_reactome>
{"Immune System","Neuronal System",Disease,"Gene expression (Transcription)","Signal Transduction",Metabolism,"Developmental Biology","Cell Cycle","Muscle contraction","Adaptive Immune System","Cytoki
ne Signaling in Immune system","Transmission across Chemical Synapses","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transc
ription","Signaling by GPCR","Metabolism of lipids","Nervous system development",Mitotic,"Biological oxidations","Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases"
,"Cardiac conduction","Innate Immune System","TCR signaling","Signaling by Interleukins","Neurotransmitter receptors and postsynaptic signal transmission","Leishmania infection","HIV Infection","Oncog
enic MAPK signaling","Generic Transcription Pathway","GPCR downstream signalling","Phospholipid metabolism","Axon guidance","Mitotic G1 phase and G1/S transition","Phase I - Functionalization of compo
unds","Biosynthesis of specialized proresolving mediators (SPMs)","PIP3 activates AKT signaling","Signaling by NTRKs","Signaling by FGFR in disease","Signaling by SCF-KIT","Phase 3 - rapid repolarisat
ion","Fc epsilon receptor (FCERI) signaling","Generation of second messenger molecules",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Activation of NMDA receptors and postsynaptic events","Leish
mania parasite growth and survival","Host Interactions of HIV factors","Parasite infection","Signaling by RAS mutants","Interleukin-2 family signaling","Transcriptional regulation by RUNX1","G alpha (
q) signalling events","PI Metabolism","Semaphorin interactions","G1 Phase","Cytochrome P450 - arranged by substrate type","RET signaling","Biosynthesis of DHA-derived SPMs","PTEN Regulation","Signalin
g by NTRK1 (TRKA)","Signaling by FGFR2 in disease","FCERI mediated Ca+2 mobilization","Post NMDA receptor activation events","Anti-inflammatory response favouring Leishmania parasite infection","The r
ole of Nef in HIV-1 replication and disease pathogenesis","Leishmania phagocytosis","Signaling downstream of RAS mutants","Interleukin-15 signaling","RUNX1 regulates transcription of genes involved in
 BCR signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Synthesis of PIPs at the plasma membrane","Sema4D in semaphorin signaling","Cyclin D associated events in G1",Xenobiotics,"Biosynthe
sis of maresins","Regulation of PTEN stability and activity","Signalling to ERKs","FGFR2 mutant receptor activation","Long-term potentiation","FCGR3A-mediated IL10 synthesis","Nef and signal transduct
ion","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","CYP2E1 reactions","Nef-mediates down modulation of cell surface receptor
s by recruiting them to clathrin adapters","Biosynthesis of maresin-like SPMs","Signalling to RAS","Activated point mutants of FGFR2","Nef Mediated CD4 Down-regulation","p38MAPK events"}

> <broad_targets>
{BLK,BMX,BTK}

> <broad_moa>
{"Bruton's tyrosine kinase (BTK) inhibitor"}

> <synonyms>
{"BRUTINIB (PCI32765","BRUTINIB (PCI 32765","PCI-32765 Racemate","PCI32765 Racemate","PCI 32765 Racemate",936563-87-0,936563870,"936563 87 0","PCI-32765 (Racemate)","PCI32765 (Racemate)","PCI 32765 (R
acemate)","Ibrutinib Racemate",S2680,ibrutinib,"Ibrutinib (PCI-32765)","PCI-32765 (Ibrutinib)"}

> <pdid>
PD003357

> <targets>
{Src,BTK}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{16126651}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 31 33  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
   -2.5988   -1.5004    0.0000 C   0  0
   -3.8983   -0.7513    0.0000 F   0  0
   -2.5983   -3.0004    0.0000 F   0  0
   -3.8975   -2.2510    0.0000 F   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2121    3.8625    0.0000 N   0  0
    0.7463    5.2884    0.0000 C   0  0
   -0.7537    5.2860    0.0000 N   0  0
   -1.6387    6.4949    0.0000 C   0  0
   -3.1309    6.3335    0.0000 C   0  0
   -3.7380    4.9609    0.0000 C   0  0
   -2.8530    3.7498    0.0000 O   0  0
   -5.2301    4.7995    0.0000 N   0  0
   -5.8373    3.4270    0.0000 N   0  0
   -7.3294    3.2656    0.0000 C   0  0
   -7.9382    1.8947    0.0000 C   0  0
   -9.4299    1.7364    0.0000 N   0  0
  -10.3127    2.9490    0.0000 C   0  0
   -9.7040    4.3199    0.0000 C   0  0
   -8.2124    4.4782    0.0000 N   0  0
   -1.2149    3.8587    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  9 11  1  0
 11 12  1  0
 11 13  1  0
 11 14  1  0
  7 15  1  0
 15 16  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
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 25  1  0
 18 31  1  0
 31 15  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13799

> <plate>
PLATE 002

> <well>
B9

> <supplier_cmpd_name>
KPT-330

> <ctcr_id>
7874

> <supplier_cmpd_id>
T1844

> <smiles>
FC(F)(F)c1cc(cc(c1)C(F)(F)F)c2ncn(\C=C/C(=O)NNc3cnccn3)n2

> <pd_targets>
{XPO1}

> <pathway_gtopdb>
{"Unclassified protein"}

> <pathway_chembl>
{"Other protein targets","Nuclear export proteins"}

> <pathway_reactome>
{"Cell Cycle",Mitotic,"M Phase","Mitotic Metaphase and Anaphase","Mitotic Anaphase","Separation of Sister Chromatids"}

> <broad_targets>
{XPO1}

> <broad_moa>
{"exportin antagonist"}

> <synonyms>
{Selinexor,KPT-330,KPT330,1393477-72-9,1393477729,Xpovio,"Selinexor HCl",UNII-31TZ62FO8F,UNII31TZ62FO8F,"Selinexor free base","KPT 330",31TZ62FO8F,"1393477-72-9 (free base)","1393477729 (free base)","
Selinexor (KPT-330)","Selinexor (KPT330)","Selinexor (USAN:INN)",KPT330;Selinexor,"Xpovio (TN)",Tube706,KPT-330(Selinexor),KPT330(Selinexor),S,T1844,T6106,S7252}

> <pdid>
PD010381

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{71481097}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    3.8976   -0.7553    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -6.4994   -0.7589    0.0000 N   0  0
   -7.7969   -1.5132    0.0000 C   0  0
   -9.0998   -0.7699    0.0000 C   0  0
  -10.3950   -1.5264    0.0000 C   0  0
  -10.3874   -3.0264    0.0000 C   0  0
  -11.6818   -3.7860    0.0000 O   0  0
  -11.6721   -5.2868    0.0000 C   0  0
  -12.9658   -6.0460    0.0000 F   0  0
  -10.3680   -6.0280    0.0000 F   0  0
  -11.6617   -6.7868    0.0000 F   0  0
   -9.0846   -3.7698    0.0000 C   0  0
   -7.7894   -3.0133    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 N   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 17 23  1  0
 23 24  2  0
 24 14  1  0
 12 25  2  0
 25 26  1  0
 26 27  2  0
 27 10  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13800

> <plate>
PLATE 002

> <well>
B10

> <supplier_cmpd_name>
GNF-2

> <ctcr_id>
4445

> <supplier_cmpd_id>
T1817

> <smiles>
NC(=O)c1cccc(c1)c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2

> <pd_targets>
{KDM4E,MAPK1,MAPT,RORC,ABL1,BCR}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,"Other cytosolic protein","Transcription factor",Eraser,Kinase,"Nuclear receptor","Lysine demethylase","Protein Kinase","Nuclear hormone receptor subfamily 1","Jumonji d
omain-containing","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","Atypical protein kinase group","TK protein kinase group","CMGC protein kinase MAPK family","Nuclear hormon
e receptor subfamily 1 group F member 3","Atypical protein kinase BCR family","Tyrosine protein kinase Abl family","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Catalytic receptors","1.14.11.- Histone demethylases","CMGC: Containing CDK",MAPK,GSK3,"CLK familie
s","1F. Retinoic acid-related orphans","Receptor kinases","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","ERK subfamily","Non-receptor tyrosine kinases (nRTKs)","Abl family"}

> <pathway_reactome>
{"Immune System","Neuronal System","Gene expression (Transcription)",Disease,"Innate Immune System","Transmission across Chemical Synapses","RNA Polymerase II Transcription","Infectious disease","Toll
-like Receptor Cascades","Neurotransmitter receptors and postsynaptic signal transmission","Generic Transcription Pathway","Leishmania infection","Toll Like Receptor 5 (TLR5) Cascade","Activation of N
MDA receptors and postsynaptic events","Transcriptional regulation by RUNX3","Parasite infection","MyD88 cascade initiated on plasma membrane","Post NMDA receptor activation events","RUNX3 Regulates I
mmune Response and Cell Migration","Leishmania phagocytosis","MAP kinase activation","Activation of AMPK downstream of NMDARs","FCGR3A-mediated phagocytosis","MAPK targets/ Nuclear events mediated by 
MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{ABL1,BCR}

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

> <synonyms>
{NF,GNF-2,GNF2,778270-11-4,778270114,3-(6-((4-(Trifluoromethoxy)phenyl)amino)pyrimidin-4-yl)benzamide,3(6((4(Trifluoromethoxy)phenyl)amino)pyrimidin4yl)benzamide,"GNF 2",UNII-6D7Q9Z2W7T,UNII6D7Q9Z2W7T
,3-(6-((4-(Trifluoromethoxy)phenyl)amino)-4-pyrimidinyl)benzamide,3(6((4(Trifluoromethoxy)phenyl)amino)4pyrimidinyl)benzamide,6D7Q9Z2W7T,CHEMBL483847,3-(6-(4-(trifluoromethoxy)anilino)pyrimidin-4-yl,3
(6(4(trifluoromethoxy)anilino)pyrimidin4yl,T1817,"EMD 197221",197221}

> <pdid>
PD010525

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5311510}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 50 51  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    1.2990   -3.7500    0.0000 N   0  0
    2.5981   -3.0000    0.0000 C   0  0
    2.5981   -1.5000    0.0000 N   0  0
   -1.2982   -3.7531    0.0000 N   0  0
   -1.2961   -5.2539    0.0000 C   0  0
   -2.5925   -6.0085    0.0000 C   0  0
   -2.5873   -7.5085    0.0000 C   0  0
   -1.2857   -8.2540    0.0000 C   0  0
    0.0108   -7.4995    0.0000 C   0  0
    0.0056   -5.9995    0.0000 C   0  0
   -1.2805   -9.7540    0.0000 F   0  0
   -3.8837   -8.2630    0.0000 Cl  0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 N   0  0
  -10.3996    1.4837    0.0000 C   0  0
   -9.0964   -0.7636    0.0000 C   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0  1  0  0  0
    1.4469    5.2298    0.0000 C   0  0
    2.9152    5.5365    0.0000 C   0  0
    3.6607    4.2349    0.0000 O   0  0
    2.6531    3.1237    0.0000 C   0  0
   10.0607   -1.7341    0.0000 C   0  0
    8.7607   -2.4841    0.0000 C   0  0
    8.7592   -3.9849    0.0000 C   0  0
    7.4600   -4.7345    0.0000 O   0  0
   10.0578   -4.7358    0.0000 O   0  0
   11.3606   -2.4841    0.0000 C   0  0
   12.6599   -1.7345    0.0000 O   0  0
   11.3606   -3.9841    0.0000 O   0  0
   19.0606   -1.7341    0.0000 C   0  0
   17.7606   -2.4841    0.0000 C   0  0
   17.7592   -3.9849    0.0000 C   0  0
   16.4599   -4.7345    0.0000 O   0  0
   19.0577   -4.7358    0.0000 O   0  0
   20.3606   -2.4841    0.0000 C   0  0
   21.6599   -1.7345    0.0000 O   0  0
   20.3606   -3.9841    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  1  1  0
  7 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 14 19  1  0
  4 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
  3 29  1  0
 30 29  1  1
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 30  1  0
 35 36  2  0
 36 37  1  0
 37 38  2  0
 37 39  1  0
 35 40  1  0
 40 41  2  0
 40 42  1  0
 43 44  2  0
 44 45  1  0
 45 46  2  0
 45 47  1  0
 43 48  1  0
 48 49  2  0
 48 50  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13801

> <plate>
PLATE 002

> <well>
B11

> <supplier_cmpd_name>
Afatinib Dimaleate

> <ctcr_id>
11187

> <supplier_cmpd_id>
T1773

> <smiles>
c12cc(c(cc1c(ncn2)Nc1cc(c(cc1)F)Cl)NC(=O)/C=C/CN(C)C)O[C@H]1CCOC1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"AFATINIB DIMALEATE",850140-73-7,850140737,"Afatinib (diMaleate)",Gilotrif,"Afatinib maleate",UNII-V1T5K7RZ0B,UNIIV1T5K7RZ0B,"Afatinib dimaleate (USAN)",V1T5K7RZ0B,"BIBW 2992MA2","Afatinib (BIBW2992)
 Dimaleate","BIBW2992 MA2",CHEBI:76003,"850140-73-7 (dimalea","850140737 (dimalea",T1773,"Afatinib Dimaleate"}

> <pdid>

> <targets>
{EGFR,HER2,"EGFR (L858R)","EGFR (L858R/T790M)","EGFR (wt)"}

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

> <pubchem_cids>
{15606394}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 40 44  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -4.6589    2.9478    0.0000 N   0  0
   -5.1253    4.3743    0.0000 C   0  0
   -6.5925    4.6865    0.0000 C   0  0
   -7.0558    6.1131    0.0000 C   0  0
   -6.0520    7.2277    0.0000 C   0  0
   -4.5848    6.9156    0.0000 C   0  0
   -4.1215    5.4889    0.0000 C   0  0
   -6.5126    8.6561    0.0000 N   0  0
   -7.9792    8.9707    0.0000 C   0  0
   -5.5066    9.7698    0.0000 C   0  0
   -4.0399    9.4552    0.0000 O   0  0
   -5.9672   11.1982    0.0000 C   0  0
   -4.9612   12.3120    0.0000 N   0  0
   -5.4195   13.7403    0.0000 C   0  0
   -4.4117   14.8513    0.0000 C   0  0
   -2.9457   14.5342    0.0000 N   0  0
   -1.9379   15.6453    0.0000 C   0  0
   -2.4873   13.1059    0.0000 C   0  0
   -3.4950   11.9948    0.0000 C   0  0
   -2.1880    3.7544    0.0000 C   0  0
   -2.6517    5.1810    0.0000 C   0  0
   -1.6483    6.2959    0.0000 C   0  0
   -0.1810    5.9844    0.0000 C   0  0
    0.2828    4.5579    0.0000 C   0  0
   -0.7206    3.4429    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13  8  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 33 27  1  0
 14 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 34  1  0
  9 40  2  0
 40  5  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13802

> <plate>
PLATE 002

> <well>
C2

> <supplier_cmpd_name>
Nintedanib

> <ctcr_id>
7648

> <supplier_cmpd_id>
T1777

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

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

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

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

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

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

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

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

> <pdid>
PD003643

> <targets>
{VEGFR,FGFR,PDGFR}

> <classes>
{}

> <pubchem_cids>
{9809715}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 22 25  0  0  0  0            999 V2000
   -0.2237   -5.5078    0.0000 O   0  0
   -0.6890   -4.0818    0.0000 N   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5536   -4.4230    0.0000 C   0  0
    4.0417   -4.4401    0.0000 C   0  0
    4.9463   -3.2436    0.0000 O   0  0
    4.4672   -5.8785    0.0000 N   0  0
    3.2312   -6.7270    0.0000 C   0  0
    3.0348   -8.2141    0.0000 C   0  0
    1.6487   -8.7875    0.0000 C   0  0
    1.4524  -10.2746    0.0000 Br  0  0
    0.4591   -7.8739    0.0000 C   0  0
    0.6554   -6.3869    0.0000 C   0  0
    2.0415   -5.8134    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  2  0
 15  5  1  0
 15  9  1  0
  4 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  3  1  0
 22 17  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13803

> <plate>
PLATE 002

> <well>
C3

> <supplier_cmpd_name>
6-BIO

> <ctcr_id>
12

> <supplier_cmpd_id>
T1917

> <smiles>
ON=C1C(=C2C(=O)Nc3cc(Br)ccc23)Nc4ccccc14

> <pd_targets>
{AURKB,CDK5,CLK1,ALOX5,GSK3A,GSK3B,DYRK2,DYRK1A,GSK3-BETA,CDK5R1,CDK1,AURKA,EIF2AK2,CCNA2,CDK2,AURKC,CSNK1A1,NR1H4,CCNB1,CCNB2,CCNB3,CCND1,CDK4,CCNH,CDK7,MNAT1,CCNE1,CCNT1,CDK9}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Kinase,Oxidoreductase,"Nuclear receptor","Protein Kinase","Nuclear hormone receptor subfamily 1","Other protein kinase group","CMGC protein kinase group","CK1 protein ki
nase group","Nuclear hormone receptor subfamily 1 group H","Other protein kinase AUR family","CMGC protein kinase CDK family","CMGC protein kinase CLK family","CMGC protein kinase GSK family","CMGC pr
otein kinase DYRK family","Other protein kinase PEK family","CK1 protein kinase CK1 family","Nuclear hormone receptor subfamily 1 group H member 4","CMGC protein kinase CDK5 subfamily","CMGC protein k
inase Dyrk2 subfamily","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase CDC2 subfamily","Other protein kinase PKR","CMGC protein kinase CDK7 subfamily","CMGC protein kinase CDK9 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Eicosanoid turnover","Nuclear hormone receptors","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Lipoxygenases,"CK1:
 Casein kinase 1","1H. Liver X receptor-like receptors","Other protein kinases","Cyclin-dependent kinase (CDK) family","CLK family","Glycogen synthase kinase (GSK) family","Dual-specificity tyrosine-(
Y)-phosphorylation regulated kinase (DYRK) family","Casein kinase 1 (CK1) family","Aurora kinase (Aur) family","CDK5 subfamily","GSK subfamily","Dyrk2 subfamily","Dyrk1 subfamily","CDK1 subfamily","PE
K family","Other PEK family kinases"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)",Metabolism,Disease,Mitotic,"RNA Polymerase II Transcription","Metabolism of lipids","Infectious disease","Diseases of signal transduction by growth fact
or receptors and second messengers","M Phase","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","SARS-CoV Infections","Mitotic G1 phase and G1/S transition","
Regulation of mitotic cell cycle","Influenza Infection","Signaling by WNT in cancer","Metabolism of steroids","Mitotic Metaphase and Anaphase","Transcriptional Regulation by TP53","Biosynthesis of DPA
-derived SPMs","SARS-CoV-1 Infection","G0 and Early G1","APC/C-mediated degradation of cell cycle proteins","NS1 Mediated Effects on Host Pathways","Signaling by AMER1 mutants","Bile acid and bile sal
t metabolism","Mitotic Anaphase","Regulation of TP53 Activity","Biosynthesis of DPAn-3 SPMs","SARS-CoV-1 Genome Replication and Transcription","Activation of APC/C and APC/C:Cdc20 mediated degradation
 of mitotic proteins","Inhibition of PKR","Truncations of AMER1 destabilize the destruction complex","Synthesis of bile acids and bile salts","Separation of Sister Chromatids","Regulation of TP53 Acti
vity through Phosphorylation","Biosynthesis of DPAn-3-derived 13-series resolvins","Replication of the SARS-CoV-1 genome","APC/C:Cdc20 mediated degradation of mitotic proteins","Synthesis of bile acid
s and bile salts via 27-hydroxycholesterol","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Cdc20:Phospho-APC/C mediated degradation of Cycli
n A"}

> <broad_targets>
{GSK3A,GSK3B}

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

> <synonyms>
{CHEMBL243555,667463-62-9,667463629,BIO,6-BROMOINDIRUBIN-3'-OXIME,6BROMOINDIRUBIN3'OXIME,"GSK-3 Inhibitor IX","GSK3 Inhibitor IX",6BIO,6-bromoindirubin-3-oxime,6bromoindirubin3oxime,6-BIO,"(2'Z,3'E)-6
-Bromoindirubin-3'-oxime","(2'Z,3'E)6Bromoindirubin3'oxime","GSK 3 Inhibitor IX","GSK-3 Inhibitor IX (BIO)","GSK3 Inhibitor IX (BIO)","GSK 3B Inhibitor IX",(2Z,3E)-6-Bromoindirubin-3'-,3E)6Bromoindiru
bin3',T1917,"EMD 361550",3194,S7198,361550}

> <pdid>
PD002727

> <targets>
{GSK-3}

> <classes>
{PI3K/Akt/mTOR}

> <pubchem_cids>
{448949}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 46 49  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 O   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0866    3.7711    0.0000 N   0  0
   -9.0793    5.2719    0.0000 C   0  0
   -7.7764    6.0151    0.0000 O   0  0
  -10.3749    6.0295    0.0000 C   0  0
  -11.7592    6.1035    0.0000 C   0  0
  -11.0161    4.8004    0.0000 C   0  0
  -10.3671    7.5307    0.0000 C   0  0
   -9.0640    8.2735    0.0000 O   0  0
  -11.6625    8.2886    0.0000 N   0  0
  -11.6547    9.7894    0.0000 C   0  0
  -12.9483   10.5489    0.0000 C   0  0
  -12.9374   12.0489    0.0000 C   0  0
  -11.6330   12.7894    0.0000 C   0  0
  -11.6222   14.2894    0.0000 F   0  0
  -10.3394   12.0301    0.0000 C   0  0
  -10.3502   10.5301    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
   10.2990    7.1454    0.0000 O   0  0
   10.2990    5.6454    0.0000 C   0  0  1  0  0  0
    8.9990    4.8954    0.0000 C   0  0
    7.6990    5.6454    0.0000 C   0  0
    6.3997    4.8958    0.0000 O   0  0
    7.6990    7.1454    0.0000 O   0  0
   11.5990    4.8954    0.0000 C   0  0
   12.8983    5.6450    0.0000 O   0  0
   11.5990    3.3954    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 18  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 24  1  0
 14 31  1  0
 31 32  2  0
 32 11  1  0
  9 33  2  0
 33  5  1  0
 33 34  1  0
 34 35  2  0
 35  3  1  0
 35 36  1  0
 36 37  1  0
 39 38  1  6
 39 40  1  0
 40 41  1  0
 41 42  2  0
 41 43  1  0
 39 44  1  0
 44 45  2  0
 44 46  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13804

> <plate>
PLATE 002

> <well>
C4

> <supplier_cmpd_name>
XL184

> <ctcr_id>
7593

> <supplier_cmpd_id>
T1797

> <smiles>
COc1cc2nccc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc5ccc(F)cc5)cc3)c2cc1OC.O[C@@H](CC(=O)O)C(=O)O

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Cabozantinib Smalate","Cabozantinib S malate",1140909-48-3,1140909483,"1140909 48 3","Cabozantinib malate","cabozantinib (S)-malate","cabozantinib (S)malate","cabozantinib (S) malate","Cabozantinib 
(S-malate)","Cabozantinib (Smalate)","Cabozantinib (S malate)",Cabometyx,"Cabozantinib malate (XL184)",UNII-DR7ST46X58,UNIIDR7ST46X58,"UNII DR7ST46X58","Cabozantinib L-Malate Salt","Cabozantinib LMala
te Salt","Cabozantinib L Malate Salt","Cabozantinib s-malate (USAN)","Cabozantinib smalate (USAN)","Cabozantinib s malate (USAN)",DR7ST46X58,BMS907351,C,T1797,S4001,XL184}

> <pdid>

> <targets>
{Axl,VEGFR}

> <classes>
{}

> <pubchem_cids>
{25102846}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 38 41  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 N   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 N   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -5.2089   -5.9859    0.0000 Cl  0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -5.1977   -2.9829    0.0000 N   0  0
   -5.1903   -1.4821    0.0000 C   0  0
   -3.8861   -0.7410    0.0000 C   0  0
   -3.8758    0.7590    0.0000 C   0  0
   -5.1696    1.5179    0.0000 C   0  0
   -6.4738    0.7769    0.0000 C   0  0
   -6.4841   -0.7230    0.0000 C   0  0
   -7.7891   -1.4644    0.0000 S   0  0
   -7.7990   -2.9644    0.0000 O   0  0
   -9.0929   -2.2060    0.0000 O   0  0
   -9.0841   -0.7058    0.0000 C   0  0
  -10.3883   -1.4467    0.0000 C   0  0
   -9.0741    0.7942    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
  7 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17  5  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 26  1  0
 31 32  1  0
 32 33  2  0
 32 34  2  0
 32 35  1  0
 35 36  1  0
 35 37  1  0
 24 38  2  0
 38 19  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13805

> <plate>
PLATE 002

> <well>
C5

> <supplier_cmpd_name>
LDK378

> <ctcr_id>
4827

> <supplier_cmpd_id>
T1791

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

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

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

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

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

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

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

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

> <pdid>
PD004094

> <targets>
{ALK}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{57379345}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13806

> <plate>
PLATE 002

> <well>
C6

> <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_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 19 21  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0  2  0  0  0
   -4.8896   -2.5354    0.0000 O   0  0
   -6.2433   -1.8893    0.0000 C   0  0  2  0  0  0
   -7.5587   -2.6066    0.0000 C   0  0
   -7.5961   -4.1061    0.0000 O   0  0
   -6.0471   -0.4022    0.0000 C   0  0  1  0  0  0
   -7.1349    0.6307    0.0000 O   0  0
   -4.5721   -0.1292    0.0000 C   0  0  2  0  0  0
   -3.9177    1.2205    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10  2  1  0
 10  6  2  0
 11  7  1  6
 11 12  1  0
 12 13  1  0
 13 14  1  6
 14 15  1  0
 13 16  1  0
 16 17  1  1
 16 18  1  0
 18 11  1  0
 18 19  1  6
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13807

> <plate>
PLATE 002

> <well>
C7

> <supplier_cmpd_name>
Vidarabine

> <ctcr_id>
1871

> <supplier_cmpd_id>
T1506

> <smiles>
Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O

> <pd_targets>
{AHCY,NS5B,ADCY5,DPP4,TK,KMT2A,MEN1,RXFP1,HIF1A,AMPC,HTT,MAPK1,RORC,CYP3A4,LMNA,ADORA2A,ADORA2B,SLC28A1,ADORA1,ADORA3,GAPDH,AK,SLC28A2,SLC29A1,PI4K2A,PI4K2B,STAT6,DOT1L,PI4KA,PI4KB,SLC28A3,PRKACA,PRKA
CB,PRKAR2A,PRKAR2B,MAP3K7,TRPM4,MAPT,ADK,ADOK}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Membrane receptor","Transcription factor","Unclassified protein","Other nuclear protein",Hydrolase,Transferase,Lyase,Protease,Reader,"Family A G protein-coupled recepto
r",Kinase,"Nuclear receptor","Cytochrome P450","Serine protease",Bromodomain,"Peptide receptor (family A GPCR)","Protein Kinase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 3","Seri
ne protease SC clan","Relaxin-like peptide receptor (family A GPCR)","CMGC protein kinase group","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 3A","Serine protease S9B subfami
ly","Relaxin receptor","CMGC protein kinase MAPK family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 3A4","CMGC protein kinase ERK1",Transporter,"Ion channel","Electrochem
ical transporter",Oxidoreductase,Writer,"Voltage-gated ion channel","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Protein methyltransferase","Transient receptor poten
tial channel","Nucleotide-like receptor (family A GPCR)","SLC28 and SLC29 families of nucleoside transporters","AGC protein kinase group","TKL protein kinase group","Adenosine receptor","SLC28 Na+-cou
pled nucleoside transport family","SLC29 Facilitative nucleoside transporter family","AGC protein kinase PKA family","TKL protein kinase MLK family","TKL protein kinase TAK1 subfamily","Other cytosoli
c protein"}

> <pathway_chembl>
{Enzymes,Receptors,"Adenosine turnover","Cyclic nucleotide turnover/signalling","Peptidases and proteinases","G protein-coupled receptors","Kinases (EC 2.7.x.x)","Nuclear hormone receptors","Cytochrom
e P450","Adenylyl cyclases (ACs)","SC: Serine (S) Peptidases","Relaxin family peptide receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","1F. Retinoic acid-related orphans","CYP3 family","S9: 
Prolyl oligopeptidase","Mitogen-activated protein kinases (MAP kinases)","ERK subfamily",Transporters,"Other protein targets","Ion channels","SLC superfamily of solute carriers","Glycerophospholipid t
urnover","Transcription factors","Chromatin modifying enzymes","Catalytic receptors","Voltage-gated ion channels","SLC28 and SLC29 families of nucleoside transporters","Adenosine receptors","Phosphati
dylinositol kinases","STAT transcription factors","2.1.1.43 Histone methyltransferases (HMTs)","Receptor kinases","Transient Receptor Potential channels","SLC28 family","SLC29 family","TKL: Tyrosine k
inase-like","Mixed Lineage Kinase (MLK) family","TAK1 subfamily"}

> <pathway_reactome>
{Disease,"Neuronal System","Metabolism of proteins","Cellular responses to external stimuli","Gene expression (Transcription)","Immune System",Metabolism,"Cell Cycle","Diseases of metabolism","Infecti
ous disease","Transmission across Chemical Synapses","Peptide hormone metabolism","Cellular responses to stress","RNA Polymerase II Transcription","Innate Immune System","Metabolism of lipids",Mitotic
,"Metabolic disorders of biological oxidation enzymes","SARS-CoV Infections","Neurotransmitter receptors and postsynaptic signal transmission","Incretin synthesis",secretion,"and inactivation","Leishm
ania infection","Cellular response to hypoxia","Generic Transcription Pathway","Toll-like Receptor Cascades","Biosynthesis of specialized proresolving mediators (SPMs)","M Phase","Defective AHCY cause
s Hypermethioninemia with S-adenosylhomocysteine hydrolase deficiency (HMAHCHD)","Potential therapeutics for SARS","GABA receptor activation",Synthesis,"and inactivation of Glucagon-like Peptide-1 (GL
P-1)","Leishmania parasite growth and survival","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Transcriptional Regulation by MECP2","Toll Like Receptor 5 (TLR5) Cascade","
Transcriptional regulation by RUNX3","Biosynthesis of DHA-derived SPMs","Mitotic Metaphase and Anaphase","GABA B receptor activation","Anti-inflammatory response favouring Leishmania parasite infectio
n","Regulation of MECP2 expression and activity","MyD88 cascade initiated on plasma membrane","RUNX3 Regulates Immune Response and Cell Migration","Biosynthesis of maresins","Mitotic Anaphase","Activa
tion of GABAB receptors","ADORA2B mediated anti-inflammatory cytokines production","MAP kinase activation","Biosynthesis of maresin-like SPMs","Nuclear Envelope (NE) Reassembly","Adenylate cyclase inh
ibitory pathway","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated","Transport of small molecules","Sign
al Transduction","Chromatin organization","SLC-mediated transmembrane transport","Signaling by GPCR","Metabolism of carbohydrates","Chromatin modifying enzymes","Ion channel transport","Transport of v
itamins",nucleosides,"and related molecules","GPCR ligand binding","Glucose metabolism","Phospholipid metabolism","Cytosolic sensors of pathogen-associated DNA","PKMTs methylate histone lysines","Stim
uli-sensing channels","Transport of nucleosides and free purine and pyrimidine bases across the plasma membrane","Class A/1 (Rhodopsin-like receptors)",Gluconeogenesis,"PI Metabolism","STING mediated 
induction of host immune responses","Toll Like Receptor 4 (TLR4) Cascade","TRP channels","Nucleotide-like (purinergic) receptors","Synthesis of PIPs at the early endosome membrane","STAT6-mediated ind
uction of chemokines","MyD88-independent TLR4 cascade","Adenosine P1 receptors","TRIF(TICAM1)-mediated TLR4 signaling","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Activation of NMD
A receptors and postsynaptic events","Post NMDA receptor activation events","Activation of AMPK downstream of NMDARs","Metabolism of nucleotides","Nucleotide salvage","Purine salvage"}

> <broad_targets>
{ADA}

> <broad_moa>
{antiviral}

> <synonyms>
{Vidarabine,"Adenine arabinoside",Ara-A,AraA,5536-17-4,5536174,Arabinosyladenine,Vira-A,ViraA,Spongoadenosine,Araadenosine,"Arabinosyl adenine",9-beta-D-Arabinofuranosyladenine,9betaDArabinofuranosyla
denine,"Arabinoside adenine","Vidarabine anhydrous",Vidarabin,9-BETA-D-ARABINOFURANOSYL-ADENIN,9BETADARABINOFURANOSYLADENIN,T1506,T0853,SAM002564191,1500609,Prestw-768,Adenosine,CPD000471872,VIDARABIN
E}

> <pdid>
PD002089

> <targets>
{Apoptosis,Autophagy,Endogenous Metabolite,Nucleoside Antimetabolite/Analog,Antibiotic,HSV}

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

> <pubchem_cids>
{21704}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13808

> <plate>
PLATE 002

> <well>
C8

> <supplier_cmpd_name>
Sorafenib

> <ctcr_id>
6031

> <supplier_cmpd_id>
T0093L

> <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_L2200_Tyrosine kinase 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 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 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_L2200_Tyrosine kinase inhibitor library

> <id>
13809

> <plate>
PLATE 002

> <well>
C9

> <supplier_cmpd_name>
NVP-BVU972

> <ctcr_id>
4105

> <supplier_cmpd_id>
T2680

> <smiles>
Cn1cc(cn1)c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2

> <pd_targets>
{MET}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","Semaphorin interactions","Sema4D in semaphorin signaling","Sema4D mediated inhibition of cell attachment and migration"}

> <broad_targets>
{MET}

> <broad_moa>
{"MET inhibitor"}

> <synonyms>
{NVP-BVU972,NVPBVU972,1185763-69-2,1185763692,"NVP-BVU 972","NVPBVU 972",NVP-BVU-972,"6-((6-(1-methylpyrazol-4-yl)imidazo(1,2-b)pyridazin-3-yl)methyl)quinoline","6((6(1methylpyrazol4yl)imidazo(1,2b)py
ridazin3yl)methyl)quinoline",CHEMBL1738731,C20H16N6,3qti,"NVP BVU972",cc-601,cc601,MLS006010964,BVU972,SCHEMBL1659100,AOB2279,BVU-972,DTXSID40657890,T2680,S2761}

> <pdid>
PD010585

> <targets>
{c-Met,c-Met/HGFR}

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

> <pubchem_cids>
{44206063}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 28 32  0  0  0  0            999 V2000
   14.0881   -4.9705    0.0000 O   0  0
   12.7176   -4.3608    0.0000 C   0  0
   11.5031   -5.2427    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 N   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 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    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 C   0  0
    5.2733   -3.5605    0.0000 N   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  4  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 20  1  0
 25 26  2  0
 26 17  1  0
 15 27  1  0
 27 12  1  0
 27 28  2  0
 28  9  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13810

> <plate>
PLATE 002

> <well>
C10

> <supplier_cmpd_name>
PF-04217903

> <ctcr_id>
5606

> <supplier_cmpd_id>
T2676

> <smiles>
OCCn1cc(cn1)c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2

> <pd_targets>
{PDE3A,PDE3B,CYP2C9,MET,PDE5A,PDE10A}

> <pathway_gtopdb>
{Enzyme,Phosphodiesterase,"Cytochrome P450",Kinase,"Phosphodiesterase 3","Cytochrome P450 family 2","Protein Kinase","Phosphodiesterase 5","Phosphodiesterase 10","Phosphodiesterase 3A","Cytochrome P45
0 family 2C","TK protein kinase group","Phosphodiesterase 5A","Phosphodiesterase 3B","Phosphodiesterase 10A","Cytochrome P450 2C9","Tyrosine protein kinase Met family"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Catalytic receptors","Cyclic nucleotide turnover/signalling","CYP2 family: drug metabolising subset","Receptor kinases",Phosphodiesterases,3',"5'-cyclic nucleotid
e (PDEs)","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{Metabolism,"Developmental Biology",Hemostasis,"Signal Transduction","Biological oxidations","Nervous system development","Platelet homeostasis","Signaling by Receptor Tyrosine Kinases","Phase I - Fun
ctionalization of compounds","Axon guidance","Nitric oxide stimulates guanylate cyclase","Signaling by Insulin receptor","Cytochrome P450 - arranged by substrate type","Semaphorin interactions","cGMP 
effects","Insulin receptor signalling cascade",Xenobiotics,"Sema4D in semaphorin signaling","IRS-mediated signalling","CYP2E1 reactions","Sema4D mediated inhibition of cell attachment and migration","
PI3K Cascade","PKB-mediated events","PDE3B signalling"}

> <broad_targets>
{MET}

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

> <synonyms>
{F0421790,SMR004702763,AB0033686,FT-0700423,FT0700423,PF-04217903,PF04217903,956905-27-4,956905274,1159490-85-3,1159490853,"PF 04217903",UNII-CYJ9ATV1IJ,UNIICYJ9ATV1IJ,PF-4217903,PF4217903,CYJ9ATV1IJ,
CHEMBL2001019,"Met tyrosine kinase inhibitor PF-04217903","Met tyrosine kinase inhibitor PF04217903","956905-27-4 (free base)","956905274 (free base)","PF-04217903 (phenolsulfo","PF04217903 (phenolsul
fo",T2676,S1094}

> <pdid>
PD011144

> <targets>
{c-Met,c-MET}

> <classes>
{}

> <pubchem_cids>
{17754438}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13811

> <plate>
PLATE 002

> <well>
C11

> <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_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 33 38  0  0  0  0            999 V2000
   11.8252   -1.8845    0.0000 C   0  0
   10.8251   -0.7666    0.0000 C   0  0
   10.1194    0.4833    0.0000 C   0  0
   11.4581    1.1599    0.0000 O   0  0
   12.1347   -0.1789    0.0000 C   0  0
    9.3560   -1.0736    0.0000 C   0  0
    8.3549    0.0446    0.0000 O   0  0
    6.8858   -0.2623    0.0000 C   0  0
    5.8837    0.8539    0.0000 C   0  0
    4.4160    0.5441    0.0000 C   0  0
    3.9504   -0.8818    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.7345   -2.9814    0.0000 C   0  0
    4.2013   -3.2954    0.0000 N   0  0
    4.9525   -1.9980    0.0000 C   0  0
    6.4202   -1.6882    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0008    0.0000 N   0  0
   -3.8959   -3.7529    0.0000 C   0  0
   -3.8935   -5.2529    0.0000 C   0  0
   -2.5933   -6.0009    0.0000 C   0  0
   -2.5909   -7.5009    0.0000 N   0  0
   -1.2954   -5.2488    0.0000 C   0  0
   -1.2978   -3.7488    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  2  1  0
  2  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  1  0
 15 16  2  0
 16  8  1  0
 12 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 25  1  0
 24 32  1  0
 32 20  1  0
 32 33  2  0
 33 17  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13812

> <plate>
PLATE 002

> <well>
D2

> <supplier_cmpd_name>
Crenolanib

> <ctcr_id>
6853

> <supplier_cmpd_id>
T2677

> <smiles>
CC1(COC1)COc2ccc3n(cnc3c2)c4ccc5cccc(N6CCC(N)CC6)c5n4

> <pd_targets>
{FLT3,CSF1R,KIT,PDGFRB,PDGFRA}

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

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

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Disease,"Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors 
and second messengers","Intracellular signaling by second messengers","Signaling by Insulin receptor","Generic Transcription Pathway","Signaling by KIT in disease","PIP3 activates AKT signaling","Sign
aling by PDGFR in disease","Insulin receptor signalling cascade","Transcriptional Regulation by VENTX","Drug resistance of KIT mutants","Negative regulation of the PI3K/AKT network","Drug resistance o
f PDGFR mutants","IRS-mediated signalling","Dasatinib-resistant KIT mutants",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Imatinib-resistant PDGFR mutants","PI3K Cascade"}

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

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

> <synonyms>
{"RENOLANIB (CP 868596",Crenolanib,670220-88-9,670220889,"670220 88 9","Crenolanib (CP-868596)","Crenolanib (CP868596)","Crenolanib (CP 868596)",CP-868596,CP868596,"CP 868596",ARO-002,ARO002,"ARO 002"
,UNII-LQF7I567TQ,UNIILQF7I567TQ,"UNII LQF7I567TQ","CP-868,596","CP868,596","CP 868,596","Crenolanib (USAN)",LQF7I567TQ,CP868569,"CP-868596 (Crenolanib)","CP868596 (Crenolanib)","CP 868596 (Crenolanib)
",MFCD21609260,"Crenolanib (USAN:INN)",cr,T2677,S2730}

> <pdid>
PD010692

> <targets>
{PDGFR,Autophagy,FLT3}

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

> <pubchem_cids>
{10366136}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 O   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0866    3.7711    0.0000 N   0  0
   -9.0793    5.2719    0.0000 C   0  0
   -7.7764    6.0151    0.0000 O   0  0
  -10.3749    6.0295    0.0000 C   0  0
  -11.7592    6.1035    0.0000 C   0  0
  -11.0161    4.8004    0.0000 C   0  0
  -10.3671    7.5307    0.0000 C   0  0
   -9.0640    8.2735    0.0000 O   0  0
  -11.6625    8.2886    0.0000 N   0  0
  -11.6547    9.7894    0.0000 C   0  0
  -12.9483   10.5489    0.0000 C   0  0
  -12.9374   12.0489    0.0000 C   0  0
  -11.6330   12.7894    0.0000 C   0  0
  -11.6222   14.2894    0.0000 F   0  0
  -10.3394   12.0301    0.0000 C   0  0
  -10.3502   10.5301    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 18  1  0
 18 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 24  1  0
 14 31  1  0
 31 32  2  0
 32 11  1  0
  9 33  2  0
 33  5  1  0
 33 34  1  0
 34 35  2  0
 35  3  1  0
 35 36  1  0
 36 37  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13813

> <plate>
PLATE 002

> <well>
D3

> <supplier_cmpd_name>
Cabozantinib

> <ctcr_id>
3519

> <supplier_cmpd_id>
T2586

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

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

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

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

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

> <broad_targets>
{KDR,MET,RET}

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

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

> <pdid>
PD003215

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

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

> <pubchem_cids>
{25102847}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 O   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0897    3.7657    0.0000 N   0  0
  -10.3910    3.0180    0.0000 C   0  0
  -10.3936    1.5180    0.0000 O   0  0
  -11.6897    3.7702    0.0000 N   0  0
  -12.9910    3.0224    0.0000 C   0  0
  -14.3424    3.6434    0.0000 C   0  0
  -15.3461    2.5287    0.0000 C   0  0
  -16.8378    2.6854    0.0000 C   0  0
  -14.5960    1.2296    0.0000 O   0  0
  -13.1288    1.5415    0.0000 N   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Cl  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 19  2  0
 14 25  1  0
 25 26  1  0
 25 27  2  0
 27 11  1  0
  9 28  2  0
 28  5  1  0
 28 29  1  0
 29 30  2  0
 30  3  1  0
 30 31  1  0
 31 32  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13814

> <plate>
PLATE 002

> <well>
D4

> <supplier_cmpd_name>
Tivozanib

> <ctcr_id>
2567

> <supplier_cmpd_id>
T2456

> <smiles>
COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC

> <pd_targets>
{FLT4,EPHB2,PDGFRA,FLT1,KDR,FGF2,EGFR,PDGFRB}

> <pathway_gtopdb>
{Enzyme,"Secreted protein",Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Eph family","Tyrosine protein kinase PDGFR family","Tyrosin
e protein kinase EGFR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XIII RTKs: 
Ephrin receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology",Disease,"Signaling by Receptor Tyrosine Kinases","Nervous system development","Diseases of signal transduction by growth factor receptors and second mess
engers","Signaling by GPCR","Intracellular signaling by second messengers","Signaling by VEGF","Axon guidance","Signaling by PDGFR in disease","Signaling by FGFR in disease","GPCR downstream signallin
g","PIP3 activates AKT signaling","VEGF ligand-receptor interactions","EPH-Ephrin signaling","Drug resistance of PDGFR mutants","VEGFA-VEGFR2 Pathway","Signaling by FGFR3 in disease","G alpha (q) sign
alling events","Negative regulation of the PI3K/AKT network","VEGF binds to VEGFR leading to receptor dimerization","EPHB-mediated forward signaling","Imatinib-resistant PDGFR mutants","VEGFR2 mediate
d cell proliferation","Signaling by FGFR3 point mutants in cancer","Gastrin-CREB signalling pathway via PKC and MAPK",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","FGFR3 mutant receptor activation
","EGFR Transactivation by Gastrin","Signaling by activated point mutants of FGFR3"}

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

> <broad_moa>
{"VEGFR inhibitor"}

> <synonyms>
{"IVOZANIB (AV951","IVOZANIB (AV 951",Tivozanib,475108-18-0,475108180,"475108 18 0",AV-951,AV951,"AV 951","Tivozanib (AV-951)","Tivozanib (AV951)","Tivozanib (AV 951)",KRN-951,KRN951,"KRN 951",UNII-17
2030934T,UNII172030934T,"UNII 172030934T",CHEMBL1289494,AV-951;KRN951,AV951;KRN951,"AV 951;KRN951",AV-951(Tivozanib),AV951(Tivozanib),"AV 951(Tivozanib)",172030934T,fotivda,Kil-8951,Kil8951,"Kil 8951"
,ASP-4130,ASP4130,"ASP 4130","Tivozanib (USAN:INN)",4ase,KIL8951,T,T2456,S1207,"EMD 676483",tivozanib,676483}

> <pdid>
PD003428

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

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{9911830}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    7.7911   -6.0075    0.0000 C   0  0
    7.7936   -7.5075    0.0000 C   0  0
    9.0938   -8.2555    0.0000 C   0  0
   10.3917   -7.5035    0.0000 C   0  0
   10.3893   -6.0035    0.0000 C   0  0
    9.0891   -5.2555    0.0000 N   0  0
    9.0961   -9.7563    0.0000 C   0  0
   10.3124  -10.6123    0.0000 C   0  0
    9.8534  -12.0403    0.0000 N   0  0
    8.3534  -12.0450    0.0000 N   0  0
    7.8853  -10.6199    0.0000 C   0  0
    6.4593  -10.1522    0.0000 C   0  0
    6.0383   -8.7179    0.0000 C   0  0
    4.5804   -8.3651    0.0000 C   0  0
    3.5459   -9.4513    0.0000 C   0  0
    3.9693  -10.8903    0.0000 C   0  0
    5.4272  -11.2431    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  2 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 18 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 22  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13815

> <plate>
PLATE 002

> <well>
D5

> <supplier_cmpd_name>
GW 788388

> <ctcr_id>
6182

> <supplier_cmpd_id>
T1800

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

> <pd_targets>
{TGFB1,TGFBR1,MAPK14}

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

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

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

> <broad_targets>
{LCK,MAPK14,TGFBR1}

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

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

> <pdid>
PD010684

> <targets>
{TGF-beta/Smad}

> <classes>
{TGF-beta/Smad}

> <pubchem_cids>
{10202642}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 42 46  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
   -2.5973    1.5031    0.0000 N   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -1.2948    3.7516    0.0000 O   0  0
   -3.8933    3.7570    0.0000 O   0  0
   -3.8912    5.2578    0.0000 C   0  0
   -5.1876    6.0124    0.0000 C   0  0
   -6.4893    5.2669    0.0000 C   0  0
   -5.1824    7.5124    0.0000 C   0  0
   -3.8808    8.2579    0.0000 C   0  0
   -2.5844    7.5034    0.0000 C   0  0
   -2.5896    6.0034    0.0000 C   0  0
   -1.2931    5.2490    0.0000 C   0  0
   -3.8982    0.7550    0.0000 C   0  0
   -5.1971    1.5054    0.0000 N   0  0
   -6.4964    0.7559    0.0000 C   0  0
   -7.7975    1.5041    0.0000 N   0  0
   -9.0964    0.7523    0.0000 C   0  0
  -10.3979    1.4982    0.0000 C   0  0
  -11.6946    0.7442    0.0000 C   0  0
  -11.6899   -0.7558    0.0000 C   0  0
  -12.9873   -1.5101    0.0000 N   0  0
  -14.2899   -0.7663    0.0000 C   0  0
  -15.5854   -1.5223    0.0000 C   0  0
  -15.5784   -3.0223    0.0000 N   0  0
  -16.8740   -3.7784    0.0000 C   0  0
  -14.2759   -3.7662    0.0000 C   0  0
  -12.9804   -3.0102    0.0000 C   0  0
  -10.3886   -1.5017    0.0000 C   0  0
   -9.0919   -0.7477    0.0000 C   0  0
   -6.4970   -0.7441    0.0000 N   0  0
   -5.1982   -1.4946    0.0000 C   0  0
   -3.8989   -0.7451    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0031    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 11  1  0
 17 18  1  0
  7 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  1  0
 33 27  1  0
 26 34  1  0
 34 35  2  0
 35 23  1  0
 21 36  2  0
 36 37  1  0
 37 38  2  0
 38 19  1  0
  6 39  1  0
 39 40  1  0
 40 41  1  0
 39 42  2  0
 42  3  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13816

> <plate>
PLATE 002

> <well>
D6

> <supplier_cmpd_name>
WH-4-023

> <ctcr_id>
12359

> <supplier_cmpd_id>
T1811

> <smiles>
COc1ccc(N(C(=O)Oc2c(C)cccc2C)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2)c(OC)c1

> <pd_targets>
{SRC,KDR,LCK,MAPK14}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","CMGC protein kinase group","Tyrosine protein kinase Src family","Tyrosine protein kinase VEGFR family","CMGC protein kinase MAPK family","CMG
C 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","Mitogen-activated protein kinases (MAP kinases
)","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","p38 subfamily","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Immune System","Signaling by Receptor Tyrosine Kinases","Infectious disease","Innate Immune System","Signaling by NTRKs","Signaling by VEGF","HIV Infection","Toll-like 
Receptor Cascades","Signaling by NTRK1 (TRKA)","VEGFA-VEGFR2 Pathway","Host Interactions of HIV factors","Toll Like Receptor 5 (TLR5) Cascade","Signalling to ERKs","VEGFR2 mediated cell proliferation"
,"The role of Nef in HIV-1 replication and disease pathogenesis","MyD88 cascade initiated on plasma membrane","Signalling to RAS","Nef-mediates down modulation of cell surface receptors by recruiting 
them to clathrin adapters","MAP kinase activation","p38MAPK events","Nef Mediated CD4 Down-regulation","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcri
ption factors"}

> <broad_targets>
{LCK,SRC}

> <broad_moa>
{"SRC inhibitor"}

> <synonyms>
{H402,WH-4-023,WH4023,837422-57-8,837422578,HMSL10038,KIN001-112,KIN001112,KIN112,"CID 11844351",CHEMBL213100,GTPL8068,SCHEMBL5755186,"2-aminopyrimidine carbamate, 28","2aminopyrimidine carbamate, 28"
,BDBM17729,CHEBI:94644,AOB6574,C32H36N6O4,HMS3265G11,HMS3653D15,HMS3750E09,BCP10090,EX-A1078,EXA1078,2801AH,MFCD28138072,T1811}

> <pdid>
PD003233

> <targets>
{Src,Lck}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{11844351}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
   10.3481    3.9149    0.0000 C   0  0
    9.6026    2.6133    0.0000 C   0  0
    8.1026    2.6079    0.0000 C   0  0
    7.3481    3.9045    0.0000 C   0  0
    8.0936    5.2061    0.0000 C   0  0
    9.5936    5.2113    0.0000 C   0  0
    7.3390    6.5025    0.0000 O   0  0
    7.3541    1.3071    0.0000 C   0  0
    5.8532    1.3040    0.0000 N   0  0
    5.1047    0.0031    0.0000 C   0  0
    5.8570   -1.2946    0.0000 O   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 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
   -2.5981   -1.5000    0.0000 F   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  3  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 12  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 14  1  0
 19 21  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13817

> <plate>
PLATE 002

> <well>
D7

> <supplier_cmpd_name>
KX1-004

> <ctcr_id>
12356

> <supplier_cmpd_id>
T1812

> <smiles>
c1cc(cc(c1)O)CNC(=O)c1cc2c([nH]1)ccc(c2)F

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{X100,KX1-004,KX1004,518058-84-9,518058849,5-Fluoro-N-(3-hydroxybenzyl)-1H-indole-2-carboxamide,5FluoroN(3hydroxybenzyl)1Hindole2carboxamide,5-fluoro-N-((3-hydroxyphenyl)methyl)-1H-indole-2-carboxamid
e,5fluoroN((3hydroxyphenyl)methyl)1Hindole2carboxamide,5-fluoro-N-(3-hydroxybenzyl)-1H-indole-2-carboxamide.,5fluoroN(3hydroxybenzyl)1Hindole2carboxamide.,C16H13FN2O2,SCHEMBL2735774,AOB87119,BCP09750,
EX-A2088,EXA2088,3339A,T1812}

> <pdid>
PD055848

> <targets>
{Src-PTK,Src}

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

> <pubchem_cids>
{21014417}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 19 21  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.3408   -4.2142    0.0000 C   0  0
   -1.8408   -4.2089    0.0000 C   0  0
    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
    2.5981    3.0050    0.0000 Cl  0  0
    1.2954    5.2529    0.0000 C   0  0
    2.5933    6.0050    0.0000 Cl  0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  8  1  0
  6 11  2  0
 11  2  1  0
  4 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  2  0
 17 18  1  0
 18 19  2  0
 19 12  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13818

> <plate>
PLATE 002

> <well>
D8

> <supplier_cmpd_name>
TH588

> <ctcr_id>
11575

> <supplier_cmpd_id>
T2037

> <smiles>
Nc1nc(cc(NC2CC2)n1)c1c(Cl)c(Cl)ccc1

> <pd_targets>
{NUDT1}

> <pathway_gtopdb>
{Enzyme,Hydrolase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Metabolism of nucleotides","Nucleobase catabolism","Purine catabolism","Phosphate bond hydrolysis by NUDT proteins"}

> <broad_targets>
{NUDT1}

> <broad_moa>
{"MTH1 inhibitor"}

> <synonyms>
{TH588,1609960-31-7,1609960317,"N4-Cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine","N4Cyclopropyl6(2,3dichlorophenyl)pyrimidine2,4diamine",TH-588,CHEMBL3782004,"N~4~-Cyclopropyl-6-(2,3-Dichl
orophenyl)pyrimidine-2,4-Diamine","N~4~Cyclopropyl6(2,3Dichlorophenyl)pyrimidine2,4Diamine","TH 588","4-N-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine","4Ncyclopropyl6(2,3dichlorophenyl)py
rimidine2,4diamine",6-(2,6(2,3-Dic,3Dic,T2037}

> <pdid>
PD012807

> <targets>
{MTH1}

> <classes>
{"DNA Damage/DNA Repair"}

> <pubchem_cids>
{73389731}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 30 32  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -3.8976   -0.7554    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 N   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -3.8912   -5.2578    0.0000 C   0  0
   -5.1887   -6.0105    0.0000 O   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 N   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 N   0  0
    2.5925    6.0081    0.0000 N   0  0
    2.5879    7.5089    0.0000 C   0  0
    3.8831    8.2656    0.0000 C   0  0
    3.8756    9.7655    0.0000 C   0  0
    2.5727   10.5090    0.0000 C   0  0
    1.2775    9.7524    0.0000 C   0  0
    1.2851    8.2524    0.0000 C   0  0
    2.5621   12.0098    0.0000 O   0  0
    1.2575   12.7517    0.0000 C   0  0
    1.2468   14.2517    0.0000 F   0  0
   -0.0364   11.9929    0.0000 F   0  0
   -0.0467   13.4927    0.0000 F   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
  3 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 15 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13819

> <plate>
PLATE 002

> <well>
D9

> <supplier_cmpd_name>
GNF-5

> <ctcr_id>
11899

> <supplier_cmpd_id>
T1803

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

> <pd_targets>
{ABL1,BCR}

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

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

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

> <broad_targets>
{ABL1,BCR}

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

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

> <pdid>
PD003245

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

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

> <pubchem_cids>
{44129660}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 O   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 11  1  0
  9 18  2  0
 18  5  1  0
 18 19  1  0
 19 20  2  0
 20  3  1  0
 20 21  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13820

> <plate>
PLATE 002

> <well>
D10

> <supplier_cmpd_name>
WHI-P180

> <ctcr_id>
4471

> <supplier_cmpd_id>
T2032

> <smiles>
COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC

> <pd_targets>
{FGFR1,KDR,FLT1,EPHB2,CDK2,TTBK1,RET,PIK3R1,KIF5B}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","CMGC protein kinase group","CK1 protein kinase group","Tyrosine protein kinase FGFR family","Tyrosine protein kinase VEGFR family","Tyrosine 
protein kinase Eph family","CMGC protein kinase CDK family","Tyrosine protein kinase Ret family","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Glycerophospholipid turnover","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","Phosphatidylin
ositol kinases","TK: Tyrosine kinase","Cyclin-dependent kinase (CDK) family","Tau tubulin kinase (TTBK) family","Receptor tyrosine kinases (RTKs)","CDK1 subfamily","Type V RTKs: FGF (fibroblast growth
 factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XIII RTKs: Ephrin receptor family","Type XIV RTKs: RET"}

> <pathway_reactome>
{Disease,"Signal Transduction","Developmental Biology","Gene expression (Transcription)","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyros
ine Kinases","Nervous system development","RNA Polymerase II Transcription","Signaling by FGFR in disease","Signaling by VEGF","Axon guidance","Generic Transcription Pathway","Signaling by FGFR1 in di
sease","VEGFA-VEGFR2 Pathway","VEGF ligand-receptor interactions","EPH-Ephrin signaling","Transcriptional Regulation by TP53","RET signaling","FGFR1 mutant receptor activation","VEGFR2 mediated cell p
roliferation","VEGF binds to VEGFR leading to receptor dimerization","EPHB-mediated forward signaling","Regulation of TP53 Activity","Signaling by activated point mutants of FGFR1","Regulation of TP53
 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Degradation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{whi-p180,whip180,211555-08-7,211555087,"3-((6,7-dimethoxyquinazolin-4-yl)amino)phenol","3((6,7dimethoxyquinazolin4yl)amino)phenol","4-(3-HYDROXYANILINO)-6,7-DIMETHOXYQUINAZOLINE","4(3HYDROXYANILINO)6
,7DIMETHOXYQUINAZOLINE","JANEX 3","WHI-P180, Hydrochloride","WHIP180, Hydrochloride","3-((6,7-Dimethoxyquinazolin-4-yl)amino)phenol","3((6,7Dimethoxyquinazolin4yl)amino)phenol",CHEMBL127907,3-(6,3(6,7
-dimethoxyquinazolin-4-ylam,7dimethoxyquinazolin4ylam,T2032,"EMD 681500",WHI-P180,681500}

> <pdid>
PD007048

> <targets>
{WHI-P180,Hydrochloride,EGFR,RET,VEGFR}

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

> <pubchem_cids>
{5687}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
   10.2891   -2.6236    0.0000 Cl  0  0
    7.7884    1.5181    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
    5.2059   -2.9909    0.0000 F   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8963   -3.7531    0.0000 O   0  0
   -3.8941   -5.2539    0.0000 C   0  0
   -5.1923   -6.0070    0.0000 C   0  0
   -5.1924   -7.5071    0.0000 C   0  0
   -6.4914   -8.2571    0.0000 C   0  0
   -7.7905   -7.5071    0.0000 C   0  0
   -7.7905   -6.0071    0.0000 C   0  0
   -6.4915   -5.2571    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    5.1852    3.0091    0.0000 O   0  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 15 24  2  0
 24 25  1  0
 25 26  2  0
 26  9  1  0
 26 13  1  0
  7 27  1  0
 27 28  2  0
 28  3  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13821

> <plate>
PLATE 002

> <well>
D11

> <supplier_cmpd_name>
ZM 323881 hydrochloride

> <ctcr_id>
6639

> <supplier_cmpd_id>
T1991

> <smiles>
Cl.Cc1cc(F)c(Nc2ncnc3cc(OCc4ccccc4)ccc23)cc1O

> <pd_targets>
{KDR,MAPT}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Kinase,Protease,"Protein Kinase","Cysteine protease","TK protein kinase group","Cysteine protease CA clan","Tyrosine protein kinase VEGFR family","Cysteine protease C
1A 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","Neuronal System","Signaling by Receptor Tyrosine Kinases","Transmission across Chemical Synapses","Signaling by VEGF","Neurotransmitter receptors and postsynaptic signal transm
ission","VEGFA-VEGFR2 Pathway","Activation of NMDA receptors and postsynaptic events","VEGFR2 mediated cell proliferation","Post NMDA receptor activation events","Activation of AMPK downstream of NMDA
Rs"}

> <broad_targets>
{KDR}

> <broad_moa>
{"VEGFR inhibitor"}

> <synonyms>
{193000-39-4,193000394,"193000 39 4","ZM323881 hydrochloride",324077-30-7,324077307,"324077 30 7","ZM323881 (hydrochloride)","ZM 323881 HCl","5-((7-BENZYLOXYQUINAZOLIN-4-YL)AMINO)-4-FLUORO-2-METHYLPHE
NOL HYDROCHLORIDE","5((7BENZYLOXYQUINAZOLIN4YL)AMINO)4FLUORO2METHYLPHENOL HYDROCHLORIDE","5 ((7 BENZYLOXYQUINAZOLIN 4 YL)AMINO) 4 FLUORO 2 METHYLPHENOL HYDROCHLORIDE","ZM323881 HCl","193000-39-4 (HCl)
","193000394 (HCl)","193000 39 4 (HCl)",C22H19Cl,T1991,2475,S2896,"ZM 323881 hydrochloride"}

> <pdid>
PD070764

> <targets>
{VEGFR}

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

> <pubchem_cids>
{22624897}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 24 24  0  0  0  0            999 V2000
    8.8990    0.7552    0.0000 H   0  3
    6.3990    0.7552    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Br  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 13  1  0
 11 20  2  0
 20  7  1  0
 20 21  1  0
 21 22  2  0
 22  5  1  0
 22 23  1  0
 23 24  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13822

> <plate>
PLATE 002

> <well>
E2

> <supplier_cmpd_name>
PD153035 hydrochloride

> <ctcr_id>
1013

> <supplier_cmpd_id>
T1761

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

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

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

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

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

> <broad_targets>
{EGFR,MAPK14}

> <broad_moa>
{"EGFR inhibitor"}

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

> <pdid>
PD002607

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

> <classes>
{}

> <pubchem_cids>
{11246488}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -5.1930    3.0046    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0875    3.7680    0.0000 Cl  0  0
   -7.7962    1.5135    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -6.5050   -0.7409    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  2  0
 17 11  1  0
 17 18  1  0
  9 19  2  0
 19  5  1  0
 19 20  1  0
 20 21  2  0
 21  3  1  0
 21 22  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13823

> <plate>
PLATE 002

> <well>
E3

> <supplier_cmpd_name>
ZM 306416

> <ctcr_id>
2028

> <supplier_cmpd_id>
T1754

> <smiles>
COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OC

> <pd_targets>
{FLT1,EPHB2,KDR,FGFR1,FLT4,EGFR,SRC}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Eph family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase EGF
R family","Tyrosine protein kinase Src family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XIII RTKs: 
Ephrin receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Non-receptor tyrosine kinases (nRTKs)","Src family"
}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology",Disease,"Signaling by Receptor Tyrosine Kinases","Nervous system development","Diseases of signal transduction by growth factor receptors and second mess
engers","Signaling by GPCR","Signaling by VEGF","Axon guidance","Signaling by FGFR in disease","GPCR downstream signalling","VEGF ligand-receptor interactions","EPH-Ephrin signaling","VEGFA-VEGFR2 Pat
hway","Signaling by FGFR1 in disease","G alpha (q) signalling events","VEGF binds to VEGFR leading to receptor dimerization","EPHB-mediated forward signaling","VEGFR2 mediated cell proliferation","FGF
R1 mutant receptor activation","Gastrin-CREB signalling pathway via PKC and MAPK","Signaling by activated point mutants of FGFR1","EGFR Transactivation by Gastrin","Signaling by NTRKs","Signaling by N
TRK1 (TRKA)","Signalling to ERKs","Signalling to RAS","p38MAPK events"}

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

> <broad_moa>
{"Abl kinase inhibitor","SRC inhibitor","VEGFR inhibitor"}

> <synonyms>
{"N-(2,4-dichlorophenyl)-6,7-dimethoxyquinazolin-4-amine","N(2,4dichlorophenyl)6,7dimethoxyquinazolin4amine",331662-51-2,331662512,"Ste11 MAPKKK Activation Inhibitor","quinazoline deriv. 3a",Bionet1_0
03518,Bionet1003518,Bionet1-003518,"Bionet1 003518",Oprea1_210976,Oprea1210976,Oprea1-210976,"Oprea1 210976",BDBM4493,CHEMBL128356,"N-(2,4-dichlorophenyl)-6,7-dimethoxy-4-quinazolinamine","N(2,4dichlo
rophenyl)6,7dimethoxy4quinazolinamine",HMS578L20,T1754,"EMD 570100","ZM 306416",570100}

> <pdid>
PD010526

> <targets>
{VEGFR,"Ste11 MAPKKK Activation Inhibitor"}

> <classes>
{}

> <pubchem_cids>
{1474860}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -3.9069    5.2492    0.0000 N   0  0
   -5.2089    5.9957    0.0000 C   0  0
   -5.3543    7.4758    0.0000 C   0  0
   -6.8231    7.7802    0.0000 C   0  0
   -7.4401    9.1474    0.0000 C   0  0
   -7.5665    6.4774    0.0000 N   0  0
   -6.5572    5.3678    0.0000 N   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4939    0.7411    0.0000 S   0  0
   -6.4894   -0.7597    0.0000 C   0  0
   -7.7846   -1.5163    0.0000 C   0  0
   -7.7770   -3.0163    0.0000 C   0  0
   -6.4742   -3.7597    0.0000 C   0  0
   -6.4636   -5.2605    0.0000 N   0  0
   -5.1590   -6.0025    0.0000 C   0  0
   -3.8651   -5.2437    0.0000 O   0  0
   -5.1483   -7.5033    0.0000 C   0  0
   -4.3923   -8.7072    0.0000 C   0  0
   -5.8923   -8.7147    0.0000 C   0  0
   -5.1790   -3.0032    0.0000 C   0  0
   -5.1866   -1.5032    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 12  2  0
 10 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 28  1  0
 24 31  1  0
 31 32  2  0
 32 21  1  0
 19 33  2  0
 33  8  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13824

> <plate>
PLATE 002

> <well>
E4

> <supplier_cmpd_name>
Tozasertib

> <ctcr_id>
5907

> <supplier_cmpd_id>
T2509

> <smiles>
CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(Sc4ccc(NC(=O)C5CC5)cc4)n2

> <pd_targets>
{MAPKAPK2,NTRK1,MAP4K4,MAP4K1,STK4,AAK1,LYN,SRC,KDR,KIT,PDGFRA,CAMK1,NUAK1,MAP4K3,CHEK1,BRSK1,TYRO3,ROS1,RPS6KA2,CDKL5,TBK1,RIOK2,TAOK1,DDR1,MERTK,MET,TIE1,ABL1,FGFR1,LCK,PRKAA1,CSK,PRPF4B,CDKL2,MAP2K
5,AURKC,FLT3,AURKAIP1,INSR,PRKAA2,CDK16,JAK2,RET,MYLK,IKBKE,STK11,MARK3,AURKA,AURKB,PLK4,ALK,AURKB-A,PAK4,PAK2,MST1R,EIF2AK4,INSRR,NTRK3,EPHA2,EPHA1,TYK2,LIMK1,TESK1,PHKG1,PIP5K1A,MAP3K10,MYLK2,JAK3,N
EK5,PKN1,WEE2,SBK3,MELK,SYK,TNK1,SIK1,BCR,YES1,MAP2K2,CSNK2A1,MAP3K9,RIOK1,MAP3K11,CAMK1D,PAK3,PAK1,LIMK2,EPHA3,STK10,STK26,IGF1R,EPHB1,EPHB4,MYLK4,BTK,TEC,TGFBR1,PKNB,MAPK10,TNIK,PTK2B,DCLK3,MYLK3,CS
NK2A2,FGFR3,MAP3K4,STK24,MAP2K1,SIK2,MAP3K13,FER,PKN2,ABL2,STK3,GAK,ACVR1,BLK,FYN,FLT1,RIOK3,DDR2,ACVRL1,LATS1,LATS2,PRKCQ,PRKD2,FGFR4,FGR,MAP3K12,RIPK1,MINK1,MAP3K3,EPHB6,SRPK3,RIPK4,CDK11A,CSF1R,FRK
,MAP3K19,EPHA4,FGFR2,ITK,CDKL3,ERBB3,SLK,TEK,TAOK3,BMPR2,RPS6KB1,PDGFRB,NTRK2,FES,MAPK14,SRPK1,PAK5,MAP2K6,BMX,MAP4K5,RPS6KA3,MARK2,MARK1,DAPK3,TXK,IRAK3,RPS6KA1,JAK1,PHKG2,STK16,CDK11B,STK25,MARK4,WE
E1,TLK1,MUSK,AXL,CDK19,MAP3K7,LRRK2,NUAK2,BMP2K,PIP4K2B,TAOK2,BMPR1B,ANKK1,ERN1,CDK17,CAMKK1,ULK3,SRPK2,HUNK,EPHA6,EGFR,FLT4,EPHA8,GRK4,LTK,TNK2,NEK7,MAP3K20,MKNK2,MAP3K2,TTK,PAK6,HCK,MAPK7,DLK1,CYP19
A1,MAP4K2,IRAK4,EPHB2,STK17A,P2RY14,PRKCZ,STK38L,PDPK1,CAMK1G}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor",Kinase,Transferase,"Cytochrome P450","Family A G protein-coupled receptor","Protein Kinase","Cytochrome P450 family 19","Small molecule receptor (fam
ily A GPCR)","CAMK protein kinase group","TK protein kinase group","STE protein kinase group","Other protein kinase group","AGC protein kinase group","CMGC protein kinase group","Atypical protein kina
se group","TKL protein kinase group","Cytochrome P450 family 19A","Nucleotide-like receptor (family A GPCR)","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase Trk family","STE protein kina
se STE20 family","Other protein kinase NAK family","Tyrosine protein kinase Src family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","CAMK protein kinase CAMK1 family"
,"Tyrosine protein kinase Axl family","Tyrosine protein kinase Sev family","AGC protein kinase RSK family","CMGC protein kinase CDKL family","Other protein kinase IKK family","Atypical protein kinase 
RIO family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Met family","Tyrosine protein kinase Tie family","Tyrosine protein kinase Abl family","Tyrosine protein kinase FGFR family","T
yrosine protein kinase Csk family","STE protein kinase STE7 family","Other protein kinase AUR family","Tyrosine protein kinase InsR family","CMGC protein kinase CDK family","Tyrosine protein kinase Ja
kA family","Tyrosine protein kinase Ret family","CAMK protein kinase MLCK family","Other protein kinase PLK family","TKL protein kinase STKR family","Other protein kinase PEK family","Tyrosine protein
 kinase Eph family","TKL protein kinase LISK family","CAMK protein kinase PHk family","TKL protein kinase MLK family","Other protein kinase NEK family","AGC protein kinase PKN family","Other protein k
inase WEE family","Other protein kinase NKF1 family","Tyrosine protein kinase Syk family","Tyrosine protein kinase Ack family","Atypical protein kinase BCR family","Other protein kinase CK2 family","T
yrosine protein kinase Tec family","CMGC protein kinase MAPK family","Tyrosine protein kinase Fak family","CAMK protein kinase DCAMK1 family","STE protein kinase STE11 family","Tyrosine protein kinase
 Fer family","AGC protein kinase NDR family","AGC protein kinase PKC family","CAMK protein kinase PKD family","TKL protein kinase RIPK family","CMGC protein kinase SRPK family","Tyrosine protein kinas
e EGFR family","CAMK protein kinase DAPK family","TKL protein kinase IRAK family","Other protein kinase TLK family","Tyrosine protein kinase Musk family","TKL protein kinase LRRK family","Other protei
n kinase CAMKK family","Other protein kinase ULK family","AGC protein kinase GRK family","Tyrosine protein kinase Alk family","Other protein kinase TTK family","Cytochrome P450 19A1","Purine receptor"
,"AGC protein kinase PDK1 subfamily","CAMK protein kinase MAPKAPK subfamily","STE protein kinase MSN subfamily","STE protein kinase KHS subfamily","STE protein kinase MST subfamily","CAMK protein kina
se NuaK subfamily","CAMK protein kinase CHK1 subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinase RSK subfamily","Atypical protein kinase RIO2 subfamily","STE protein kinase TAO subfami
ly","CAMK protein kinase AMPK subfamily","CMGC protein kinase TAIRE subfamily","CAMK protein kinase LKB subfamily","CAMK protein kinase MARK subfamily","TKL protein kinase STKR Type 1 subfamily","STE 
protein kinase PAKB subfamily","STE protein kinase PAKA subfamily","Other protein kinase GCN2 subfamily","TKL protein kinase LIMK subfamily","TKL protein kinase TESK subfamily","TKL protein kinase MLK
 subfamily","Other protein kinase WEE1","CAMK protein kinase MELK subfamily","CAMK protein kinase QIK subfamily","Atypical protein kinase RIO1 subfamily","STE protein kinase SLK subfamily","STE protei
n kinase YSK subfamily","CMGC protein kinase JNK subfamily","TKL protein kinase LZK subfamily","TKL protein kinase STKR1","Tyrosine protein kinase SrcA","Atypical protein kinase RIO3 subfamily","AGC p
rotein kinase PKC delta subfamily","STE protein kinase MEKK2","CMGC protein kinase PITSLRE subfamily","TKL protein kinase STKR Type 2 subfamily","AGC protein kinase p70 subfamily","CMGC protein kinase
 p38 subfamily","CMGC protein kinase CDK8 subfamily","TKL protein kinase TAK1 subfamily","CMGC protein kinase PCTAIRE","Other protein kinase Meta subfamily","AGC protein kinase GRK subfamily","CAMK pr
otein kinase MNK subfamily","CMGC protein kinase ERK5","AGC protein kinase PKC iota subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Cytochrome P450","G protein-coupled receptors","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor kinases","STE: Homologs o
f yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Atypical,"Lipid modifying kinases",CYP11,CYP17,CYP19,"CYP2
0 and CYP21 families","P2Y receptors","MAPK-Activated Protein Kinase (MAPKAPK) family","TK: Tyrosine kinase","STE20 family","Other protein kinases","CAMK1 family","CAMK-like (CAMKL) family","RSK famil
y","Cyclin-dependent kinase-like (CDKL) family","RIO family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","STE7 family","Cyclin-dependent kinase (CDK) family","Myosin
 Light Chain Kinase (MLCK) family","TKL: Tyrosine kinase-like","Phosphorylase kinase (PHK) family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","Protein kinase N (PKN) fam
ily","Mitogen-activated protein kinases (MAP kinases)","DCAMKL family","STE11 family","NDR family","Protein kinase C (PKC) family","Protein kinase D (PKD) family","SRPK family","Death-associated kinas
e (DAPK) family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","G protein-coupled receptor kinases (GRKs)","PDK1 family","MAPKAPK subfamily","Receptor tyrosine kinases (RT
Ks)","MSN subfamily","KHS subfamily","MST subfamily","NAK family","Non-receptor tyrosine kinases (nRTKs)","NuaK subfamily","CHK1 subfamily","BRSK subfamily","RSK subfamily","IKK family","RIO2 subfamil
y","TAO subfamily","AMPK subfamily","PRP4 subfamily","Aurora kinase (Aur) family","TAIRE subfamily","LKB subfamily","MARK subfamily","Polo-like kinase (PLK) family","PAKB subfamily","PAKA subfamily","
PEK family","LIM domain kinase (LISK) family","Mixed Lineage Kinase (MLK) family","NIMA (never in mitosis gene a)- related kinase (NEK) family","WEE family","NKF1 family","MELK subfamily","QIK subfami
ly","Casein kinase 2 (CK2) family","RIO1 subfamily","SLK subfamily","YSK subfamily","Receptor serine/threonine kinase (RSTK) family","JNK subfamily","Numb-associated kinase (NAK) family","RIO3 subfami
ly","Delta subfamily","Receptor interacting protein kinase (RIPK) family","PITSLRE subfamily","STE20 subfamily","p70 subfamily","p38 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family"
,"Tousled-like kinase (TLK) family","CDK8 subfamily","Leucine-rich repeat kinase (LRRK) family","IRE family","CAMKK family","Unc-51-like kinase (ULK) family","HUNK subfamily","GRK4 subfamily","MKN sub
family","TTK family","ERK subfamily","Iota subfamily","Type VII RTKs: Neurotrophin receptor/Trk family","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III
 RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XVII RTKs: ROS receptors","Type XVI RTKs: DDR (collagen receptor) family","Type X RTK
s: HGF (hepatocyte growth factor) receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Abl family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Csk family","Type I
I RTKs: Insulin receptor family","Janus kinase (JakA) family","Type XIV RTKs: RET","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","GCN2 subfamily","Type XIII RTKs: Ephrin receptor fa
mily","LIMK subfamily","TESK subfamily","MLK subfamily","Syk family","Ack family","Tec family","Type I receptor serine/threonine kinases","Fak family","LZK subfamily","Fer family","Type I RTKs: ErbB (
epidermal growth factor) receptor family","Type II receptor serine/threonine kinases","Type IX RTKs: MuSK","TAK1 subfamily","Meta subfamily"}

> <pathway_reactome>
{"Immune System","Signal Transduction","Cellular responses to external stimuli","Vesicle-mediated transport",Disease,"Neuronal System","Gene expression (Transcription)","DNA Repair","Metabolism of RNA
","Cell Cycle","Extracellular matrix organization",Hemostasis,"Developmental Biology","Metabolism of proteins","Cell-Cell communication",Metabolism,"Circadian Clock","Programmed Cell Death","Organelle
 biogenesis and maintenance","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Cellular responses to stress","Signaling by Hippo","Membrane Trafficking","Infectious disease","Diseases o
f signal transduction by growth factor receptors and second messengers","Transmission across Chemical Synapses","RNA Polymerase II Transcription","DNA Double-Strand Break Repair","rRNA processing",Mit
otic,"Non-integrin membrane-ECM interactions","Cell surface interactions at the vascular wall","Nervous system development",Translation,"Intracellular signaling by second messengers","Signaling by Rho
 GTPases","Cytokine Signaling in Immune system","Cell junction organization","Metabolism of carbohydrates","Metabolism of lipids",Apoptosis,"Signaling by TGFB family members","Signaling by GPCR","Adap
tive Immune System","MAPK family signaling cascades","MTOR signalling","Cilium Assembly","Cell Cycle Checkpoints","ECM proteoglycans","Signaling by Non-Receptor Tyrosine Kinases","Unfolded Protein Res
ponse (UPR)","Signaling by Hedgehog","Signaling by NOTCH","Biological oxidations","Signaling by Nuclear Receptors","Toll-like Receptor Cascades","Signaling by NTRKs","Cellular Senescence","Clathrin-me
diated endocytosis","Leishmania infection","Signaling by VEGF","Signaling by KIT in disease","Signaling by PDGFR in disease","Neurotransmitter receptors and postsynaptic signal transmission","Generic 
Transcription Pathway","Homology Directed Repair","rRNA processing in the nucleus and cytosol","M Phase","Axon guidance","Signaling by FGFR in disease","HIV Infection","Oncogenic MAPK signaling","Sign
aling by Insulin receptor","Mitochondrial translation","PIP3 activates AKT signaling","Mitotic G1 phase and G1/S transition","RHO GTPase Effectors","Mitotic G2-G2/M phases","Signaling by MST1","Respon
se of EIF2AK4 (GCN2) to amino acid deficiency","Interferon Signaling","Cell-extracellular matrix interactions","Glycogen metabolism","Phospholipid metabolism","Signaling by Interleukins","Neutrophil d
egranulation","Apoptotic execution phase","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Signaling by TGF-beta Receptor Complex in Cancer","Signaling by SCF-KIT","trans-Golgi Net
work Vesicle Budding","Signaling by BMP","GPCR downstream signalling","Sphingolipid metabolism","Signaling by FGFR","TCR signaling","MAPK1/MAPK3 signaling","mTORC1-mediated signalling","Caspase activa
tion via extrinsic apoptotic signalling pathway","Fc epsilon receptor (FCERI) signaling","Anchoring of the basal body to the plasma membrane","G2/M Checkpoints","Regulation of lipid metabolism by PPAR
alpha","Signaling by PTK6","IRE1alpha activates chaperones","Hedgehog 'on' state","Signaling by NOTCH1","Phase I - Functionalization of compounds","GPCR ligand binding","ESR-mediated signaling","Toll 
Like Receptor 5 (TLR5) Cascade","Signaling by NTRK1 (TRKA)","Oxidative Stress Induced Senescence","Cargo recognition for clathrin-mediated endocytosis","Leishmania parasite growth and survival","VEGFA
-VEGFR2 Pathway","Drug resistance of KIT mutants","Drug resistance of PDGFR mutants","Activation of NMDA receptors and postsynaptic events","Transcriptional Regulation by TP53","HDR through Homologous
 Recombination (HRR) or Single Strand Annealing (SSA)","Toll Like Receptor 4 (TLR4) Cascade","Major pathway of rRNA processing in the nucleolus and cytosol","Mitotic Metaphase and Anaphase","Semaphori
n interactions","Parasite infection","Signaling by FGFR1 in disease","Host Interactions of HIV factors","Signaling by RAS mutants","Insulin receptor signalling cascade","Mitochondrial translation elon
gation","Negative regulation of the PI3K/AKT network","G1 Phase","RET signaling","RHO GTPases activate PAKs","G2/M Transition","Signaling by ROBO receptors","Signaling by NTRK3 (TRKC)","EPH-Ephrin sig
naling","Interferon alpha/beta signaling","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","Glycogen breakdown (glycogenolysis)","PI Metabolism","Interleukin-2 fami
ly signaling","RHO GTPases activate PKNs","Apoptotic cleavage of cellular proteins","IGF1R signaling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Loss of Function of SMAD2/3 in Cancer"
,"Signaling by FGFR3 in disease","Golgi Associated Vesicle Biogenesis","Transcriptional regulation by RUNX1","VEGF ligand-receptor interactions","G alpha (i) signalling events","Sphingolipid de novo b
iosynthesis","Signaling by FGFR4","Interleukin-1 family signaling","Transcriptional Regulation by VENTX","PTEN Regulation","Signaling by FGFR2 in disease","Generation of second messenger molecules","R
AF/MAP kinase cascade","Caspase activation via Dependence Receptors in the absence of ligand","FCERI mediated Ca+2 mobilization","Toll Like Receptor 2 (TLR2) Cascade","Antiviral mechanism by IFN-stimu
lated genes","G2/M DNA damage checkpoint","PPARA activates gene expression","PTK6 promotes HIF1A stabilization","G alpha (q) signalling events","Mitotic Prophase","Activated NOTCH1 Transmits Signal to
 the Nucleus","Cytochrome P450 - arranged by substrate type","Class A/1 (Rhodopsin-like receptors)","Extra-nuclear estrogen signaling","MyD88 cascade initiated on plasma membrane","Signalling to ERKs"
,"Anti-inflammatory response favouring Leishmania parasite infection","VEGFR2 mediated cell proliferation","Dasatinib-resistant KIT mutants","Imatinib-resistant PDGFR mutants","Post NMDA receptor acti
vation events","Regulation of TP53 Activity","HDR through Homologous Recombination (HRR)","MyD88-independent TLR4 cascade","Mitotic Anaphase","Sema4D in semaphorin signaling","Leishmania phagocytosis"
,"FGFR1 mutant receptor activation","The role of Nef in HIV-1 replication and disease pathogenesis","Signaling downstream of RAS mutants","Signalling to ERK5","IRS-mediated signalling",PI5P,"PP2A and 
IER3 Regulate PI3K/AKT Signaling","Cyclin D associated events in G1","Centrosome maturation","Activation of RAC1","Activated NTRK3 signals through PI3K","EPHA-mediated growth cone collapse","Regulatio
n of IFNA signaling","Synthesis of PIPs at the plasma membrane","Interleukin-15 signaling","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Ephrin sig
naling","EPHB-mediated forward signaling","IRS-related events triggered by IGF1R","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Interleukin-2 signaling","Signaling by FGFR3 point mutants in cance
r","Role of ABL in ROBO-SLIT signaling","RUNX1 regulates transcription of genes involved in BCR signaling","VEGF binds to VEGFR leading to receptor dimerization","Visual phototransduction","Downstream
 signaling of activated FGFR4","Interleukin-1 signaling","Regulation of PTEN stability and activity","FGFR2 mutant receptor activation","Activation of TRKA receptors","CRMPs in Sema3A signaling","Toll
 Like Receptor TLR6:TLR2 Cascade","ISG15 antiviral mechanism","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","Gastrin-CREB signalling pathway via PKC and MAPK","Nuclear Envelope Brea
kdown","Endogenous sterols","Nucleotide-like (purinergic) receptors","Estrogen-stimulated signaling through PRKCZ","MAP kinase activation","Prolonged ERK activation events","FCGR3A-mediated IL10 synth
esis","Signalling to RAS","Activation of RAC1 downstream of NMDARs","Regulation of TP53 Activity through Phosphorylation","Homologous DNA Pairing and Strand Exchange","TRIF(TICAM1)-mediated TLR4 signa
ling","Separation of Sister Chromatids","Sema4D mediated inhibition of cell attachment and migration","FCGR3A-mediated phagocytosis","Signaling by activated point mutants of FGFR1","Nef-mediates down 
modulation of cell surface receptors by recruiting them to clathrin adapters","PI3K Cascade","Loss of proteins required for interphase microtubule organization from the centrosome","Nef and signal tra
nsduction","Sema4D induced cell migration and growth-cone collapse","FGFR3 mutant receptor activation","The phototransduction cascade","FRS-mediated FGFR4 signaling","Recruitment of mitotic centrosome
 proteins and complexes","Activated point mutants of FGFR2","NGF-independant TRKA activation","Regulation of TP53 Activity through Acetylation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane",
"EGFR Transactivation by Gastrin","Activation of NIMA Kinases NEK9",NEK6,NEK7,"P2Y receptors","Regulation of TP53 Expression and Degradation","MAPK targets/ Nuclear events mediated by MAP kinases","AR
MS-mediated activation","p38MAPK events","Presynaptic phase of homologous DNA pairing and strand exchange","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Nef Mediated CD4 Down-regulation","Lo
ss of Nlp from mitotic centrosomes","Frs2-mediated activation","Signaling by activated point mutants of FGFR3",Inactivation,"recovery and regulation of the phototransduction cascade","IKK complex recr
uitment mediated by RIP1","PI5P Regulates TP53 Acetylation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Regulation of TP53 Degradation","CREB phosphorylation","Activation of the AP
-1 family of transcription factors","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{X68,Tozasertib,639089-54-6,639089546,VX-680,VX680,MK-0457,MK0457,"MK 0457","VX 680","VX-680 (MK-0457,Tozasertib)","VX680 (MK0457,Tozasertib)",UNII-234335M86K,UNII234335M86K,VX-68,VX68,"Tozasertib (VX
-680)","Tozasertib (VX680)",MK-045,MK045,L-001281814,L001281814,CHEMBL572878,936915-58-1,936915581,VX6,234335M86K,"Tozasertib (USAN)","Tozasertib (USAN:INN)","VE 465",T2509,S1048,TOZASERTIB}

> <pdid>
PD003407

> <targets>
{Aurora,ABL,"AURORA KINASES",FLT3,"Aurora Kinase",Autophagy}

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

> <pubchem_cids>
{5494449}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    5.1663  -10.5034    0.0000 C   0  0
    6.4691   -9.7600    0.0000 C   0  0
    7.7644  -10.5165    0.0000 C   0  0
    9.0672   -9.7731    0.0000 C   0  0
    9.0747   -8.2731    0.0000 C   0  0
   10.3776   -7.5297    0.0000 F   0  0
    7.7795   -7.5165    0.0000 C   0  0
    7.7840   -6.0157    0.0000 N   0  0
    6.4870   -5.2605    0.0000 C   0  0
    5.1855   -6.0062    0.0000 O   0  0
    6.4915   -3.7597    0.0000 N   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.6924   -4.0811    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    6.4767   -8.2600    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 15 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 18  1  0
 27 22  2  0
  7 28  2  0
 28  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13825

> <plate>
PLATE 002

> <well>
E5

> <supplier_cmpd_name>
Linifanib

> <ctcr_id>
2503

> <supplier_cmpd_id>
T2514

> <smiles>
Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)c3cccc4[nH]nc(N)c34)c1

> <pd_targets>
{TEK,CSNK1G1,MAPK11,FLT1,PDGFRB,CDK19,CDK8,AKT1,FRK,NTRK2,CAMK2B,CDK11B,MUSK,DDR1,SRMS,EPHA6,AURKA,EPHA3,STK10,EPHB6,EPHB2,LATS2,MYLK2,ABL1,STK26,STK33,PLK4,EPHB3,KDR,FLT3,KIT,FLT4,RET,PDGFRA,BLK,MST1
R,TAOK1,HIPK4,MAP2K5,MKNK2,RPS6KA5,RIPK1,GAK,DDR2,CSF1R,EPHB4,MAPK9,MAPK14,MAPK15,FER,PRKG1,RPS6KA4,MAP4K3,MET,CSNK1D,STK3,PRKACA,TIE1,NTRK3,NTRK1,EGFR,CLK1,SRC,SGK3,AURKC,CAMK1,CDK13,LIMK2,HIPK3,LATS
1,STK32B,FGFR1,FGFR2,FGFR3,FGFR4,CDK1,SLK,TNIK,CDK11A,MARK2,LTK,CDK16,AURKB,MAP4K5,MERTK,MINK1,BMPR2,AXL,CDK9,MYO3B,ALK,CDC42BPG,CYP19A1,MKNK1,MAPK10,EPHA2,EPHA5,EPHA7,MAP4K1,STK4,INSR,IRAK4,PLK3,STK3
2A,CSNK2A1,RPS6KB1,TAOK3,LYN,CAMK2D,INSRR,MAPK13,MAP4K2,CDK7,CLK4,EPHB1,BRSK1,SRPK1,MAP3K19,ROCK2,PBK,DYRK3,CSNK1G2,CAMK2G,MAP2K2,PTK2,MAP3K20,SMO,BMPR1B,IRAK1,ROCK1,HIPK2,MELK,MAPK12,FES,P2RY14}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Membrane receptor",Kinase,"Cytochrome P450","Frizzled family G protein-coupled receptor","Family A G protein-coupled receptor","Protein Kinase","Cytochrome P450 family 
19","Smoothened receptor (frizzled family GPCR)","Small molecule receptor (family A GPCR)","TK protein kinase group","CK1 protein kinase group","CMGC protein kinase group","AGC protein kinase group","
CAMK protein kinase group","Other protein kinase group","STE protein kinase group","TKL protein kinase group","Cytochrome P450 family 19A","Nucleotide-like receptor (family A GPCR)","Tyrosine protein 
kinase Tie family","CK1 protein kinase CK1 family","CMGC protein kinase MAPK family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","CMGC protein kinase CDK family","AGC
 protein kinase AKT family","Tyrosine protein kinase Src family","Tyrosine protein kinase Trk family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase Musk family","Tyrosine protein kinase 
DDR family","Tyrosine protein kinase Eph family","Other protein kinase AUR family","STE protein kinase STE20 family","AGC protein kinase NDR family","CAMK protein kinase MLCK family","Tyrosine protein
 kinase Abl family","CAMK protein kinase unique family","Other protein kinase PLK family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Met family","CMGC protein kinase DYRK family","S
TE protein kinase STE7 family","CAMK protein kinase MAPKAPK family","AGC protein kinase RSK family","TKL protein kinase RIPK family","Other protein kinase NAK family","Tyrosine protein kinase Fer fami
ly","AGC protein kinase PKG family","AGC protein kinase PKA family","Tyrosine protein kinase EGFR family","CMGC protein kinase CLK family","AGC protein kinase SGK family","CAMK protein kinase CAMK1 fa
mily","TKL protein kinase LISK family","AGC protein kinase YANK family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Axl family","TKL protein kin
ase STKR family","AGC protein kinase DMPK family","Cytochrome P450 19A1","Tyrosine protein kinase InsR family","TKL protein kinase IRAK family","Other protein kinase CK2 family","CMGC protein kinase S
RPK family","STE protein kinase STE11 family","Other protein kinase TOPK family","Tyrosine protein kinase Fak family","TKL protein kinase MLK family","Purine receptor","CMGC protein kinase p38 subfami
ly","CMGC protein kinase CDK8 subfamily","CMGC protein kinase PITSLRE subfamily","Tyrosine protein kinase Srm","STE protein kinase SLK subfamily","STE protein kinase YSK subfamily","STE protein kinase
 TAO subfamily","CMGC protein kinase HIPK subfamily","CAMK protein kinase MNK subfamily","AGC protein kinase MSK subfamily","CMGC protein kinase JNK subfamily","STE protein kinase KHS subfamily","STE 
protein kinase MST subfamily","TKL protein kinase LIMK subfamily","CMGC protein kinase CDC2 subfamily","STE protein kinase MSN subfamily","CAMK protein kinase MARK subfamily","CMGC protein kinase TAIR
E subfamily","TKL protein kinase STKR Type 2 subfamily","CMGC protein kinase CDK9 subfamily","STE protein kinase NinaC subfamily","TKL protein kinase STKR Type 1 subfamily","AGC protein kinase GEK sub
family","AGC protein kinase p70 subfamily","CMGC protein kinase CDK7 subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinase ROCK subfamily","CMGC protein kinase Dyrk2 subfamily","TKL prot
ein kinase MLK subfamily","CAMK protein kinase MELK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","G protein-coupled receptors","Receptor kinases","CK1: Casein kinase 1","CMGC: Containing CDK",MAPK,GSK3,"CLK families
","AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",CYP11,CYP17,CYP19,"CYP20 and CYP21 
families","Class Frizzled GPCRs","P2Y receptors","TK: Tyrosine kinase","Casein kinase 1 (CK1) family","Mitogen-activated protein kinases (MAP kinases)","Cyclin-dependent kinase (CDK) family","Akt (Pro
tein kinase B","PKB) family","CAMK2 family","Other protein kinases","STE20 family","NDR family","Myosin Light Chain Kinase (MLCK) family","CAMK-unique family","Dual-specificity tyrosine-(Y)-phosphoryl
ation regulated kinase (DYRK) family","STE7 family","MAPK-Activated Protein Kinase (MAPKAPK) family","RSK family","TKL: Tyrosine kinase-like","Protein kinase G (PKG) family","Protein kinase A (PKA) fa
mily","CLK family","SGK family","CAMK1 family","YANK family","CAMK-like (CAMKL) family","DMPK family","SRPK family","Receptor tyrosine kinases (RTKs)","p38 subfamily","CDK8 subfamily","Non-receptor ty
rosine kinases (nRTKs)","PITSLRE subfamily","Aurora kinase (Aur) family","SLK subfamily","YSK subfamily","Polo-like kinase (PLK) family","TAO subfamily","HIPK subfamily","MKN subfamily","MSK subfamily
","Receptor interacting protein kinase (RIPK) family","Numb-associated kinase (NAK) family","JNK subfamily","Erk7 subfamily","KHS subfamily","MST subfamily","CRK7 subfamily","LIM domain kinase (LISK) 
family","CDK1 subfamily","MSN subfamily","MARK subfamily","TAIRE subfamily","Receptor serine/threonine kinase (RSTK) family","CDK9 subfamily","NinaC subfamily","GEK subfamily","Interleukin-1 receptor-
associated kinase (IRAK) family","Casein kinase 2 (CK2) family","p70 subfamily","CDK7 subfamily","BRSK subfamily","STE20 subfamily","Rho kinase","TOPK family","Dyrk2 subfamily","Mixed Lineage Kinase (
MLK) family","MELK subfamily","Type XII RTKs: TIE family of angiopoietin receptors","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 rece
ptor family","Src family","Type VII RTKs: Neurotrophin receptor/Trk family","Type IX RTKs: MuSK","Type XVI RTKs: DDR (collagen receptor) family","Type XIII RTKs: Ephrin receptor family","Abl family","
Type XIV RTKs: RET","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Fer family","Type I RTKs: ErbB (epidermal growth factor) receptor family","LIMK subfamily","Type XIX RTKs: Leukocyte 
tyrosine kinase (LTK) receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type II receptor serine/threonine kinases","Type II RTKs: Insulin receptor family","Type V RTKs: 
FGF (fibroblast growth factor) receptor family","Fak family","MLK subfamily","Type I receptor serine/threonine kinases"}

> <pathway_reactome>
{"Signal Transduction","Immune System",Metabolism,Disease,"Gene expression (Transcription)","Neuronal System","Cell Cycle","Extracellular matrix organization","Developmental Biology","Programmed Cell 
Death","Vesicle-mediated transport",Hemostasis,"Transport of small molecules","Cellular responses to external stimuli","Organelle biogenesis and maintenance","MAPK family signaling cascades","Innate I
mmune System","Signaling by Receptor Tyrosine Kinases","Intracellular signaling by second messengers","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second mess
engers","RNA Polymerase II Transcription","Transmission across Chemical Synapses",Mitotic,"ECM proteoglycans","Non-integrin membrane-ECM interactions","Signaling by Non-Receptor Tyrosine Kinases","Ner
vous system development","Signaling by Hippo","Infectious disease",Apoptosis,"Membrane Trafficking","Platelet homeostasis","Signaling by GPCR","Ion channel transport","Cellular responses to stress","C
ell surface interactions at the vascular wall","Signaling by TGFB family members","Biological oxidations","MTOR signalling","Cilium Assembly","MAPK1/MAPK3 signaling","Toll-like Receptor Cascades","Sig
naling by VEGF","PIP3 activates AKT signaling","Regulation of lipid metabolism by PPARalpha","Signaling by NOTCH1 in Cancer","Generic Transcription Pathway","Signaling by NTRKs","Neurotransmitter rece
ptors and postsynaptic signal transmission","Mitotic G2-G2/M phases","Signaling by PTK6","Axon guidance","Neutrophil degranulation","Leishmania infection","Apoptotic execution phase","Signaling by Ins
ulin receptor","Signaling by KIT in disease","Signaling by PDGFR in disease","Signaling by MST1","M Phase","trans-Golgi Network Vesicle Budding","Signaling by SCF-KIT","Nitric oxide stimulates guanyla
te cyclase","GPCR downstream signalling","Stimuli-sensing channels","Regulation of mitotic cell cycle","Cellular Senescence","Signaling by BMP","HIV Infection","Phase I - Functionalization of compound
s","Signaling by FGFR","Signaling by FGFR in disease","mTORC1-mediated signalling","Sphingolipid metabolism","Cargo trafficking to the periciliary membrane","GPCR ligand binding","RAF/MAP kinase casca
de","Toll Like Receptor 5 (TLR5) Cascade","VEGF ligand-receptor interactions","Negative regulation of the PI3K/AKT network","PPARA activates gene expression","Signaling by NOTCH1 HD+PEST Domain Mutant
s in Cancer","Transcriptional Regulation by TP53","PTEN Regulation","Signaling by NTRK1 (TRKA)","Activation of NMDA receptors and postsynaptic events","G2/M Transition","PTK6 Down-Regulation","EPH-Eph
rin signaling","Parasite infection","Apoptotic cleavage of cellular proteins","VEGFA-VEGFR2 Pathway","Insulin receptor signalling cascade","Drug resistance of KIT mutants","RET signaling","Drug resist
ance of PDGFR mutants","Transcriptional regulation by RUNX1","Mitotic Metaphase and Anaphase","Toll Like Receptor 4 (TLR4) Cascade","Golgi Associated Vesicle Biogenesis","Transcriptional Regulation by
 VENTX","cGMP effects","L1CAM interactions","Semaphorin interactions","Signaling by NTRK3 (TRKC)","G alpha (q) signalling events","APC/C-mediated degradation of cell cycle proteins","Oxidative Stress 
Induced Senescence","HIV Life Cycle","Cytochrome P450 - arranged by substrate type","Signaling by FGFR4","Toll Like Receptor 2 (TLR2) Cascade","Signaling by FGFR1 in disease","Leishmania parasite grow
th and survival","Sphingolipid de novo biosynthesis","Signaling by FGFR3 in disease","BBSome-mediated cargo-targeting to cilium","Class A/1 (Rhodopsin-like receptors)","MyD88 cascade initiated on plas
ma membrane","VEGF binds to VEGFR leading to receptor dimerization",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Regulation of TP53 Activ
ity","Regulation of PTEN stability and activity","Activation of TRKA receptors","Post NMDA receptor activation events","Centrosome maturation","EPHA-mediated growth cone collapse","EPHB-mediated forwa
rd signaling","Leishmania phagocytosis","VEGFR2 mediated cell proliferation","IRS-mediated signalling","Dasatinib-resistant KIT mutants","Imatinib-resistant PDGFR mutants","RUNX1 regulates transcripti
on of genes involved in BCR signaling","Mitotic Anaphase","Signalling to ERK5","MyD88-independent TLR4 cascade","Recycling pathway of L1","Sema4D in semaphorin signaling","Activated NTRK3 signals thro
ugh PI3K","Signalling to ERKs","Gastrin-CREB signalling pathway via PKC and MAPK","TP53 Regulates Transcription of DNA Repair Genes","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitoti
c proteins","Late Phase of HIV Life Cycle","Endogenous sterols","Negative regulation of FGFR4 signaling","Toll Like Receptor TLR6:TLR2 Cascade","FGFR1 mutant receptor activation","Anti-inflammatory re
sponse favouring Leishmania parasite infection","Signaling by FGFR3 point mutants in cancer","CRMPs in Sema3A signaling","Nucleotide-like (purinergic) receptors","MAP kinase activation","Regulation of
 TP53 Expression and Degradation","NGF-independant TRKA activation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Recruitment of mitotic centrosome proteins and c
omplexes","Regulation of TP53 Activity through Phosphorylation","FCGR3A-mediated phagocytosis","Loss of proteins required for interphase microtubule organization from the centrosome","PI3K Cascade","S
eparation of Sister Chromatids","TRIF(TICAM1)-mediated TLR4 signaling","Sema4D mediated inhibition of cell attachment and migration","Prolonged ERK activation events","EGFR Transactivation by Gastrin"
,"Signalling to RAS","Activation of RAC1 downstream of NMDARs","Sema4D induced cell migration and growth-cone collapse","APC/C:Cdc20 mediated degradation of mitotic proteins","Transcription of the HIV
 genome","Spry regulation of FGF signaling","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Signaling by activated point mutants of FGFR1","FCGR3A-mediated IL10 synthesis","FGFR3 mutant recep
tor activation","P2Y receptors","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Ras activation upon Ca2+ influx through NMDA receptor","Loss of Nlp from mitoti
c centrosomes","IKK complex recruitment mediated by RIP1","ARMS-mediated activation","p38MAPK events","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle chec
kpoint","HIV Transcription Elongation","Frs2-mediated activation","Signaling by activated point mutants of FGFR3","activated TAK1 mediates p38 MAPK activation","Activation of the AP-1 family of transc
ription factors","CREB phosphorylation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1
 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BT869(LINIFANIB,Linifanib,796967-16-3,796967163,ABT-869,ABT869,"Linifanib (ABT-869)","Linifanib (ABT869)",1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(2-fluoro-5-methylphenyl)urea,1(4(3amino1Hindazol4yl)
phenyl)3(2fluoro5methylphenyl)urea,AL-39324,AL39324,"ABT 869",N-(4-(3-amino-1H-indazol-4-yl)phenyl)-N'-(2-fluoro-5-methylphenyl)urea,N(4(3amino1Hindazol4yl)phenyl)N'(2fluoro5methylphenyl)urea,UNII-CO9
3X137CW,UNIICO93X137CW,R,T2514,S1003,linifanib,ABT-869(Linifanib)}

> <pdid>
PD003290

> <targets>
{FLT-3,PDGFR,VEGFR,FLT3,Apoptosis,Autophagy,c-Fms,c-Kit}

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

> <pubchem_cids>
{11485656}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 27 28  0  0  0  0            999 V2000
   12.5963   -1.2874    0.0000 H   0  3
   10.0963   -1.2874    0.0000 Cl  0  5
    7.5955    2.7333    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    4.2568    0.5878    0.0000 C   0  0
    5.7171    0.9385    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 O   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    4.8082   -4.6653    0.0000 C   0  0
    6.2996   -4.8254    0.0000 C   0  0
    3.9242   -5.8772    0.0000 C   0  0
    5.4155   -6.0369    0.0000 C   0  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 10  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 18  1  0
 22 23  2  0
 23 15  1  0
 12 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
M  CHG  2   1   1   2  -1
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13826

> <plate>
PLATE 002

> <well>
E6

> <supplier_cmpd_name>
SB-505124

> <ctcr_id>
3917

> <supplier_cmpd_id>
T2462

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

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

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

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

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

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD010836

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{16079009}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 21 21  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -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
   -1.2990    0.7500    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
   -2.5988   -1.5004    0.0000 C   0  0
   -3.8983   -0.7513    0.0000 C   0  0
   -2.5983   -3.0004    0.0000 C   0  0
   -3.8975   -2.2510    0.0000 C   0  0
  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  3
  9 10  1  0
 10 11  3  0
  9 12  1  0
 12 13  3  0
  7 14  2  0
 14 15  1  0
 15 16  2  0
 16  5  1  0
 16 17  1  0
 15 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13827

> <plate>
PLATE 002

> <well>
E7

> <supplier_cmpd_name>
Tyrphostin 9

> <ctcr_id>
3295

> <supplier_cmpd_id>
T2479

> <smiles>
CC(C)(C)c1cc(C=C(C#N)C#N)cc(c1O)C(C)(C)C

> <pd_targets>
{CYP1A2,LMNA,MAPT,HIF1A,PMP22,LEF,THPO,CYP3A4,GMNN,CYP2C19,ALOX15,HPGD,KMT2A,MEN1,HSD17B10,CYP2C9,FTL,ALDH1A1,FFP,CHRM1,NFKB1,TGR,BLM,TP53,NPSR1,TSHR,AMPC,RECQL,MTOR}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Other cytosolic protein","Transcription factor","Unclassified protein","Epigenetic regulator","Membrane receptor","Cytochrome P450",Protease,Oxidoreductase,Reader,Tran
sferase,"Family A G protein-coupled receptor",Hydrolase,Kinase,"Cytochrome P450 family 1","Metallo protease","Cytochrome P450 family 3","Cytochrome P450 family 2",Bromodomain,"Small molecule receptor 
(family A GPCR)","Peptide receptor (family A GPCR)","Protein Kinase","Cytochrome P450 family 1A","Metallo protease MAE clan","Cytochrome P450 family 3A","Cytochrome P450 family 2C","Monoamine receptor
","Short peptide receptor (family A GPCR)","Glycohormone receptor","Atypical protein kinase group","Cytochrome P450 1A1","Metallo protease M34 family","Cytochrome P450 3A4","Cytochrome P450 2C19","Cyt
ochrome P450 2C9","Acetylcholine receptor","Neuropeptide receptor","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Eicosanoid turnover","G protein-coupled receptors","Kinases (EC 2.7.x.x)","CYP1 family","CYP3 family","CYP2 family: drug metabolising subset",Lipoxygenases,"Prost
aglandin synthases","Acetylcholine receptors (muscarinic)","Neuropeptide S receptor","Glycoprotein hormone receptors",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP sub
family"}

> <pathway_reactome>
{Metabolism,"Cell Cycle","Neuronal System","Cellular responses to external stimuli","Developmental Biology",Disease,Hemostasis,"Vesicle-mediated transport","Signal Transduction","Immune System","DNA R
epair","Gene expression (Transcription)","Biological oxidations",Mitotic,"Transmission across Chemical Synapses","Cellular responses to stress","Nervous system development","Infectious disease","Plate
let activation","signaling and aggregation","Metabolism of lipids","Metabolism of amino acids and derivatives","Membrane Trafficking","Signaling by GPCR","Cytokine Signaling in Immune system","DNA Dou
ble-Strand Break Repair","Cell Cycle Checkpoints","RNA Polymerase II Transcription","Phase I - Functionalization of compounds","M Phase","Neurotransmitter receptors and postsynaptic signal transmissio
n","Cellular response to hypoxia","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Uptake and actions of bacterial toxins","Platelet Aggregation (Plug Formation)","Biosynthesis of spe
cialized proresolving mediators (SPMs)","Mitotic G1 phase and G1/S transition","Branched-chain amino acid catabolism","trans-Golgi Network Vesicle Budding","GPCR ligand binding","Signaling by Interleu
kins","Homology Directed Repair","G1/S DNA Damage Checkpoints","Leishmania infection","Generic Transcription Pathway","Cytochrome P450 - arranged by substrate type","Mitotic Metaphase and Anaphase","A
ctivation of NMDA receptors and postsynaptic events","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Uptake and function of anthrax toxins","Biosynthesis of DHA-derived SPM
s","G1/S Transition","Biosynthesis of DPA-derived SPMs","Golgi Associated Vesicle Biogenesis","Ethanol oxidation","Class A/1 (Rhodopsin-like receptors)","Interleukin-1 family signaling","HDR through H
omologous Recombination (HRR) or Single Strand Annealing (SSA)","p53-Dependent G1/S DNA damage checkpoint","Leishmania parasite growth and survival","Transcriptional Regulation by TP53",Xenobiotics,"M
itotic Anaphase","Post NMDA receptor activation events","Biosynthesis of maresins","Activation of the pre-replicative complex","Biosynthesis of DPAn-3 SPMs","Biosynthesis of D-series resolvins","Amine
 ligand-binding receptors","Interleukin-1 signaling","HDR through Homologous Recombination (HRR)","p53-Dependent G1 DNA Damage Response","Anti-inflammatory response favouring Leishmania parasite infec
tion","Regulation of TP53 Activity","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Biosynthesis of mar
esin-like SPMs","CYP2E1 reactions","Biosynthesis of DPAn-3-derived protectins and resolvins","Muscarinic acetylcholine receptors","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Homologous DNA Pairing a
nd Strand Exchange","Stabilization of p53","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","
Presynaptic phase of homologous DNA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1","Regulation of TP53 Degradation"}

> <broad_targets>
{}

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

> <synonyms>
{Malonoben,"tyrphostin A9",10537-47-0,10537470,"Tyrphostin 9","2-(3,5-Di-tert-butyl-4-hydroxybenzylidene)malononitrile","2(3,5Ditertbutyl4hydroxybenzylidene)malononitrile","NSC 242557","GCP 5126","ENT
 27910","SF 6847","AG 17",UNII-87TE8MRS65,UNII87TE8MRS65,"(3,5-Di-t-butyl-4-hydroxybenzylidene)malononitrile","(3,5Ditbutyl4hydroxybenzylidene)malononitrile",S-15126,S15126,T2479,NSC242557,EI-215,"TYR
PHOSTIN 9"}

> <pdid>
PD002632

> <targets>
{PDGFRK}

> <classes>
{}

> <pubchem_cids>
{5614}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
   -3.9323   -9.7235    0.0000 C   0  0
   -2.6374  -10.4807    0.0000 O   0  0
   -1.3331   -9.7383    0.0000 C   0  0
   -1.3269   -8.2383    0.0000 C   0  0
   -0.0248   -7.4935    0.0000 C   0  0
   -0.0156   -5.9927    0.0000 N   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 N   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    5.1932   -3.0130    0.0000 F   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1781   -0.0305    0.0000 C   0  0
   -3.8619    2.2496    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.2935   -3.7495    0.0000 N   0  0
    1.2712   -8.2490    0.0000 C   0  0
    1.2650   -9.7490    0.0000 C   0  0
    2.5632  -10.5020    0.0000 O   0  0
    3.8643   -9.7555    0.0000 C   0  0
   -0.0371  -10.4936    0.0000 C   0  0
   -0.0464  -11.9944    0.0000 O   0  0
   -1.3495  -12.7372    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 17  1  0
 25 26  2  0
 26 14  1  0
 12 27  2  0
 27  7  1  0
  5 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 29 32  2  0
 32  3  1  0
 32 33  1  0
 33 34  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13828

> <plate>
PLATE 002

> <well>
E8

> <supplier_cmpd_name>
R406 free base

> <ctcr_id>
4240

> <supplier_cmpd_id>
T2467

> <smiles>
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC

> <pd_targets>
{MARK3,PAK1,PDPK1,MAPK8,RAF1,ROS1,MAP2K4,TEC,TTK,PIP4K2B,CAMK1,ACVR1B,EPHA2,EPHA7,DYRK4,SYK,ROCK2,ABL1,EGFR,MUSK,PRKCD,MAPK12,PRKAA1,DDR2,JAK3,KIT,HIPK2,MAP2K2,MET,MYLK4,MAP4K1,CDK2,CSNK2A1,GSK3B,TLK1
,PIP5K1C,INSRR,TNIK,TAOK3,MKNK2,RET,PKNB,MAPK9,NEK11,AURKB,AAK1,FLT3,TYK2,JAK1,SLK,DAPK2,CDKL2,MAP4K3,EPHB1,EPHB6,MAPK14,PIK3CD,SRC,TIE1,DCLK3,STK35,RPS6KA5,DAPK1,PLK1,ROCK1,PTK6,MAP3K2,LIMK1,MAP3K11,
NEK2,STK16,MAPK13,RPS6KA1,DYRK2,PLK3,ALK,LRRK2,WEE2,PRKCG,MAPK1,MAPK3,MAP3K3,PRKACA,MAP2K1,PTK2B,EPHA5,ZAP70,AURKC,NTRK3,TNK2,PIP5K1A,DDR1,COQ8A,CAMK1G,COQ8B,MAP3K19,MARK1,LYN,MAP3K10,GRK1,NEK4,RPS6KB
1,TGFBR2,STK17B,BRAF,EIF2AK2,ULK1,ANKK1,SBK3,BTK,STK32A,ULK3,CAMK1D,RIOK1,NEK9,IGF1R,PIM3,PAK4,ERBB4,ACVR1,BMX,KDR,NEK1,TNNI3K,GSK3A,RIPK4,FGFR1,TSSK1B,MAP3K7,HIPK1,FYN,EPHA6,STK38,SRPK3,NEK6,IRAK4,PR
KG2,PRKAA2,NEK7,MAP3K9,PI4KB,MAP2K3,MAP2K6,WEE1,PTK2,GRK4,NEK5,CLK1,TEK,SBK1,CSNK2A2,IRAK1,STK33,RIOK2,TAOK1,MARK4,TLK2,NUAK2,FGFR3,EIF2AK4,CHEK1,CHUK,DAPK3,FLT1,FRK,PLK4,LATS2,SIK2,EPHA8,FGFR2,PIP4K2
C,MAPK15,CIT,EPHB2,TESK1,RIPK2,OXSR1,FER,YES1,DYRK1A,STK17A,JAK2,ABL2,CSF1R,LCK,ITK,PRKD3,MAP3K4,PDGFRA,LIMK2,HIPK3,NTRK2,NEK3,SRPK1,AURKA,EPHB4,CAMK2A,CAMK2G,LTK,CDK1,STK11,PAK5,PAK3,MAPK10,SIK1,HIPK
4,CAMK2D,HCK,CDK7,ERN1,BMP2K,PAK6,MKNK1,BLK,STK36,CLK4,EPHA1,TBK1,IKBKE,TAOK2,STK3,RIOK3,CLK3,EPHA3,PAK2,PDGFRB,STK10,PKN2,MYLK,MERTK,RPS6KA4,IKBKB,NUAK1,MARK2,GRK7,FLT4,INSR,MST1R,ULK2,RPS6KA3,GAK,PR
KACB,CLK2,CDKL1,NIM1K,MAP2K5,CDK17,AXL,FES,CDK5,PLK2,ERBB2,NTRK1,BMPR1B,IRAK3,TNK1,CSK,MAP4K2,EPHA4,PKN1,FGFR4,TYRO3,STK25,TXK,CDC7,PHKG2,PRKD2,FGR,SRMS,TGFBR1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,Transferase,"Protein Kinase","CAMK protein kinase group","STE protein kinase group","AGC protein kinase group","CMGC protein kinase group","TKL protein kinase gro
up","TK protein kinase group","Other protein kinase group","Atypical protein kinase group","CAMK protein kinase CAMK1 family","STE protein kinase STE20 family","AGC protein kinase PDK1 subfamily","CMG
C protein kinase MAPK family","TKL protein kinase RAF family","Tyrosine protein kinase Sev family","STE protein kinase STE7 family","Tyrosine protein kinase Tec family","Other protein kinase TTK famil
y","TKL protein kinase STKR family","Tyrosine protein kinase Eph family","CMGC protein kinase DYRK family","Tyrosine protein kinase Syk family","AGC protein kinase DMPK family","Tyrosine protein kinas
e Abl family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Musk family","AGC protein kinase PKC family","Tyrosine protein kinase DDR family","Tyrosine protein kinase JakA family","Ty
rosine protein kinase PDGFR family","Tyrosine protein kinase Met family","CAMK protein kinase MLCK family","CMGC protein kinase CDK family","Other protein kinase CK2 family","CMGC protein kinase GSK f
amily","Other protein kinase TLK family","Tyrosine protein kinase InsR family","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase Ret family","Other protein kinase NEK family","Other protei
n kinase AUR family","Other protein kinase NAK family","CAMK protein kinase DAPK family","CMGC protein kinase CDKL family","Tyrosine protein kinase Src family","Tyrosine protein kinase Tie family","CA
MK protein kinase DCAMK1 family","Other protein kinase NKF4 family","AGC protein kinase RSK family","Other protein kinase PLK family","STE protein kinase STE11 family","TKL protein kinase LISK family"
,"TKL protein kinase MLK family","TKL protein kinase LRRK family","Other protein kinase WEE family","AGC protein kinase PKA family","Tyrosine protein kinase Fak family","Tyrosine protein kinase Trk fa
mily","Tyrosine protein kinase Ack family","Atypical protein kinase ABC1 family","AGC protein kinase GRK family","Other protein kinase PEK family","Other protein kinase ULK family","TKL protein kinase
 RIPK family","Other protein kinase NKF1 family","AGC protein kinase YANK family","Atypical protein kinase RIO family","CAMK protein kinase PIM family","Tyrosine protein kinase VEGFR family","Tyrosine
 protein kinase FGFR family","CAMK protein kinase TSSK family","AGC protein kinase NDR family","CMGC protein kinase SRPK family","TKL protein kinase IRAK family","AGC protein kinase PKG family","CMGC 
protein kinase CLK family","CAMK protein kinase unique family","Other protein kinase IKK family","Tyrosine protein kinase Fer family","CAMK protein kinase PKD family","CAMK protein kinase CAMK2 family
","Tyrosine protein kinase Alk family","AGC protein kinase PKN family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Csk family","Other protein kinase CDC7 family","CAMK protein kinase
 PHk family","CAMK protein kinase MARK subfamily","STE protein kinase PAKA subfamily","CMGC protein kinase JNK subfamily","TKL protein kinase STKR Type 1 subfamily","AGC protein kinase ROCK subfamily"
,"AGC protein kinase PKC delta subfamily","CMGC protein kinase p38 subfamily","CAMK protein kinase AMPK subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase KHS subfamily","CMGC protein
 kinase CDC2 subfamily","STE protein kinase MSN subfamily","STE protein kinase TAO subfamily","CAMK protein kinase MNK subfamily","Other protein kinase Nek11","STE protein kinase SLK subfamily","AGC p
rotein kinase MSK subfamily","STE protein kinase MEKK2","TKL protein kinase LIMK subfamily","TKL protein kinase MLK subfamily","AGC protein kinase RSK subfamily","CMGC protein kinase Dyrk2 subfamily",
"Other protein kinase WEE1","AGC protein kinase PKC alpha subfamily","CMGC protein kinase ERK1","Atypical protein kinase ABC1-A subfamily","AGC protein kinase GRK subfamily","AGC protein kinase p70 su
bfamily","TKL protein kinase STKR Type 2 subfamily","Other protein kinase PKR","Atypical protein kinase RIO1 subfamily","STE protein kinase PAKB subfamily","TKL protein kinase STKR1","TKL protein kina
se HH498 subfamily","TKL protein kinase TAK1 subfamily","Tyrosine protein kinase SrcA","Atypical protein kinase RIO2 subfamily","CAMK protein kinase NuaK subfamily","Other protein kinase GCN2 subfamil
y","CAMK protein kinase CHK1 subfamily","CAMK protein kinase QIK subfamily","AGC protein kinase CRIK subfamily","TKL protein kinase TESK subfamily","STE protein kinase FRAY subfamily","CMGC protein ki
nase Dyrk1 subfamily","Other protein kinase Nek1","CAMK protein kinase LKB subfamily","CMGC protein kinase CDK7 subfamily","STE protein kinase MST subfamily","Atypical protein kinase RIO3 subfamily","
CAMK protein kinase NIM1 subfamily","CMGC protein kinase PCTAIRE","CMGC protein kinase CDK5 subfamily","Other protein kinase PLK2","STE protein kinase YSK subfamily","Tyrosine protein kinase Srm"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containi
ng PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","Lipid modifying kinases",Atypical,"CAMK-like (CAMKL) family","STE20 family","PDK1 family","Mitogen-activa
ted protein kinases (MAP kinases)","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","STE7 family","Other protein kinases","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","C
AMK1 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","DMPK family","Protein kinase C (PKC) family","Myosin Light Chain Kinase (MLCK) family","Cyclin-dependent ki
nase (CDK) family","Glycogen synthase kinase (GSK) family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","MAPK-Activated Protein Kinase (MAPKAPK) family","Death-associated 
kinase (DAPK) family","Cyclin-dependent kinase-like (CDKL) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","DCAMKL family","RSK family","STE11 family","Protein kinase A (PKA) family","
ABC1 family","G protein-coupled receptor kinases (GRKs)","YANK family","RIO family","PIM family","Testis specific kinase (TSSK) family","NDR family","SRPK family","Protein kinase G (PKG) family","1-ph
osphatidylinositol 4-kinase family","CLK family","CAMK-unique family","Protein kinase D (PKD) family","CAMK2 family","Protein kinase N (PKN) family","Phosphorylase kinase (PHK) family","MARK subfamily
","PAKA subfamily","JNK subfamily","RAF family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","TTK family","Receptor serine/threonine kinase (RSTK) family","Dyrk1 subfamil
y","Rho kinase","Delta subfamily","p38 subfamily","AMPK subfamily","HIPK subfamily","KHS subfamily","CDK1 subfamily","Casein kinase 2 (CK2) family","GSK subfamily","Tousled-like kinase (TLK) family","
MSN subfamily","TAO subfamily","MKN subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","Aurora kinase (Aur) family","NAK family","SLK subfamily","NKF4 family","MSK subfamily","Po
lo-like kinase (PLK) family","LIM domain kinase (LISK) family","Mixed Lineage Kinase (MLK) family","RSK subfamily","Dyrk2 subfamily","Leucine-rich repeat kinase (LRRK) family","WEE family","Alpha subf
amily","ABC1-B subfamily","STE20 subfamily","Opsin/rhodopsin kinases","p70 subfamily","PEK family","Unc-51-like kinase (ULK) family","Receptor interacting protein kinase (RIPK) family","NKF1 family","
RIO1 subfamily","PAKB subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","GRK4 subfamily","RIO2 subfamily","NuaK subfamily","CHK1 subfamily","IKK family","QIK subfamily","Erk7 subfami
ly","Other DMPK family kinases","FRAY subfamily","LKB subfamily","CDK7 subfamily","IRE family","Numb-associated kinase (NAK) family","MST subfamily","RIO3 subfamily","NIM1 subfamily","TAIRE subfamily"
,"CDK5 subfamily","YSK subfamily","CDC7 family","Type XVII RTKs: ROS receptors","Tec family","Type I receptor serine/threonine kinases","Type XIII RTKs: Ephrin receptor family","Syk family","Abl famil
y","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type IX RTKs: MuSK","Type XVI RTKs: DDR (collagen receptor) family","Janus kinase (JakA) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3
 receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type II RTKs: Insulin receptor family","Type XIV RTKs: RET","Src family","Type XII RTKs: TIE family of angiopoietin rec
eptors","LIMK subfamily","MLK subfamily","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Fak family","Type VII RTKs: Neurotrophin receptor/Trk family","Ack family","Type II receptor 
serine/threonine kinases","Other PEK family kinases","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","HH498 subfamily","Type V RTKs: FGF (fibroblast growth factor) receptor f
amily","TAK1 subfamily","GCN2 subfamily","TESK subfamily","Fer family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Csk family"}

> <pathway_reactome>
{Disease,"Developmental Biology","Gene expression (Transcription)","Immune System","Signal Transduction","Neuronal System","Extracellular matrix organization","Cellular responses to external stimuli",
"Cell Cycle","Vesicle-mediated transport","Programmed Cell Death",Metabolism,Autophagy,"Metabolism of RNA","Organelle biogenesis and maintenance","DNA Repair","Cell-Cell communication","Circadian Cloc
k","Metabolism of proteins",Hemostasis,"Diseases of signal transduction by growth factor receptors and second messengers","Nervous system development","RNA Polymerase II Transcription","Innate Immune 
System","MAPK family signaling cascades","Cytokine Signaling in Immune system","Transmission across Chemical Synapses","Signaling by NODAL","Infectious disease","Signaling by GPCR","ECM proteoglycans"
,"Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases","Non-integrin membrane-ECM interactions","Cellular responses to stress",Mitotic,"Membrane Trafficking",Apoptosi
s,"Signaling by Non-Receptor Tyrosine Kinases","Adaptive Immune System","Metabolism of lipids","MTOR signalling",Macroautophagy,"Signaling by Hedgehog","rRNA processing","Cell Cycle Checkpoints","Cili
um Assembly","DNA Double-Strand Break Repair","Signaling by Hippo","Signaling by Rho GTPases","Cell junction organization","Unfolded Protein Response (UPR)","Cell surface interactions at the vascular 
wall","Signaling by TGFB family members","Metabolism of carbohydrates","Oncogenic MAPK signaling","Axon guidance","Generic Transcription Pathway","Toll-like Receptor Cascades","MAPK1/MAPK3 signaling",
"Signaling by Interleukins","Neurotransmitter receptors and postsynaptic signal transmission","Regulation of signaling by NODAL","Leishmania infection","GPCR downstream signalling","DAG and IP3 signal
ing","Signaling by NTRKs","Signaling by KIT in disease","SARS-CoV Infections","Cellular Senescence","M Phase","Clathrin-mediated endocytosis","Signaling by Insulin receptor","Interferon Signaling","Ca
spase activation via extrinsic apoptotic signalling pathway","Mitotic G2-G2/M phases","Mitotic G1 phase and G1/S transition","Regulation of mitotic cell cycle","Signaling by PTK6","TCR signaling","Pho
spholipid metabolism","mTORC1-mediated signalling","Signaling by TGF-beta Receptor Complex in Cancer","Influenza Infection","Selective autophagy","Hedgehog 'on' state","rRNA processing in the nucleus 
and cytosol","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Signaling by VEGF","Signaling by FGFR in disease","HIV Infection","G2/M Checkpoints","Anchoring of the basal body to t
he plasma membrane","Response of EIF2AK4 (GCN2) to amino acid deficiency","Homology Directed Repair","PIP3 activates AKT signaling","RHO GTPase Effectors","Cell-extracellular matrix interactions","Sig
naling by SCF-KIT","Sphingolipid metabolism","Signaling by PDGFR in disease","IRE1alpha activates chaperones","Signaling by FGFR","Neutrophil degranulation","Signaling by MST1","trans-Golgi Network Ve
sicle Budding","Signaling by BMP","Fc epsilon receptor (FCERI) signaling","Glycogen metabolism","Signaling by RAS mutants","EPH-Ephrin signaling","Transcriptional Regulation by TP53","Toll Like Recept
or 5 (TLR5) Cascade","RAF/MAP kinase cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Activation of NMDA receptors and postsynaptic events","Leishmania parasite growth and survival","Semap
horin interactions","Parasite infection","G alpha (q) signalling events","CaM pathway","Signaling by NTRK1 (TRKA)","Interleukin-2 family signaling","Drug resistance of KIT mutants","SARS-CoV-1 Infecti
on","Oxidative Stress Induced Senescence","RET signaling","Mitotic Metaphase and Anaphase","Cargo recognition for clathrin-mediated endocytosis","Insulin receptor signalling cascade","Interferon alpha
/beta signaling","Antiviral mechanism by IFN-stimulated genes","Caspase activation via Dependence Receptors in the absence of ligand","G2/M Transition","G1 Phase","APC/C-mediated degradation of cell c
ycle proteins","PTK6 promotes HIF1A stabilization","Glutamate binding","activation of AMPA receptors and synaptic plasticity","Interleukin-1 family signaling","Generation of second messenger molecules
","Signaling by NTRK3 (TRKC)","PI Metabolism","G alpha (i) signalling events","Loss of Function of SMAD2/3 in Cancer","NS1 Mediated Effects on Host Pathways",Mitophagy,"Major pathway of rRNA processin
g in the nucleolus and cytosol","Mitotic Prophase","IGF1R signaling cascade","Signaling by ROBO receptors","VEGFA-VEGFR2 Pathway","Signaling by FGFR1 in disease","Toll Like Receptor 4 (TLR4) Cascade",
"Host Interactions of HIV factors","Toll Like Receptor 2 (TLR2) Cascade","G2/M DNA damage checkpoint","Signaling by FGFR3 in disease","HDR through Homologous Recombination (HRR) or Single Strand Annea
ling (SSA)","VEGF ligand-receptor interactions","PTEN Regulation","Signaling by FGFR2 in disease","RHO GTPases activate CIT","Regulation of cytoskeletal remodeling and cell spreading by IPP complex co
mponents","G0 and Early G1","Transcriptional Regulation by VENTX","Sphingolipid de novo biosynthesis","Drug resistance of PDGFR mutants","HIV Life Cycle","Signaling by FGFR4","Transcriptional regulati
on by RUNX1","Negative regulation of the PI3K/AKT network","RHO GTPases activate PKNs","RHO GTPases activate PAKs","L1CAM interactions","Golgi Associated Vesicle Biogenesis","FCERI mediated Ca+2 mobil
ization","G1/S Transition","Glycogen breakdown (glycogenolysis)","PTK6 Down-Regulation","Signaling downstream of RAS mutants","EPHB-mediated forward signaling","Regulation of TP53 Activity","MyD88 cas
cade initiated on plasma membrane","Negative regulation of MAPK pathway","Post NMDA receptor activation events","EPHA-mediated growth cone collapse","Anti-inflammatory response favouring Leishmania pa
rasite infection","Sema4D in semaphorin signaling","Leishmania phagocytosis","Gastrin-CREB signalling pathway via PKC and MAPK","Calmodulin induced events","Signalling to ERKs","Interleukin-15 signali
ng","Dasatinib-resistant KIT mutants","SARS-CoV-1 Genome Replication and Transcription","SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion","Mitotic Anaphase","IRS-mediated signalling"
,"Regulation of IFNA signaling","ISG15 antiviral mechanism","Interleukin receptor SHC signaling","Centrosome maturation","Cyclin D associated events in G1","Activation of APC/C and APC/C:Cdc20 mediate
d degradation of mitotic proteins","Trafficking of AMPA receptors","Interleukin-1 signaling","Interleukin-2 signaling","Activated NTRK3 signals through PI3K","Synthesis of PIPs at the plasma membrane"
,"Visual phototransduction","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Inhibition of PKR","Receptor Mediated Mitophagy","Nuclear Envelope Breakdown","IRS-related events triggered by IGF1R","Ac
tivation of RAC1","VEGFR2 mediated cell proliferation","FGFR1 mutant receptor activation","MyD88-independent TLR4 cascade","The role of Nef in HIV-1 replication and disease pathogenesis","Toll Like Re
ceptor TLR6:TLR2 Cascade","RAS processing","Synthesis of PIPs at the Golgi membrane","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","Signaling by FGFR3 point mutants in cancer","HDR 
through Homologous Recombination (HRR)","VEGF binds to VEGFR leading to receptor dimerization","Regulation of PTEN stability and activity","FGFR2 mutant receptor activation","Role of ABL in ROBO-SLIT 
signaling","Imatinib-resistant PDGFR mutants","Activation of TRKA receptors","Ephrin signaling","Late Phase of HIV Life Cycle","Negative regulation of FGFR4 signaling","RUNX1 regulates transcription o
f genes involved in BCR signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Recycling pathway of L1","Signalling to ERK5","CRMPs in Sema3A signaling","Activated PKN1 stimulates transcription 
of AR (androgen receptor) regulated genes KLK2 and KLK3","Downstream signaling of activated FGFR4","Activation of the pre-replicative complex","Regulation of TP53 Expression and Degradation","MAP kina
se activation","Negative feedback regulation of MAPK pathway","Regulation of TP53 Activity through Acetylation","Activation of RAC1 downstream of NMDARs","FCGR3A-mediated IL10 synthesis","Sema4D induc
ed cell migration and growth-cone collapse","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","Signalling to RAS","Regulation of TP53 Activity through Phosphorylation","Prolonged ERK ac
tivation events","Sema4D mediated inhibition of cell attachment and migration","Replication of the SARS-CoV-1 genome","Separation of Sister Chromatids","PI3K Cascade","Loss of proteins required for in
terphase microtubule organization from the centrosome","APC/C:Cdc20 mediated degradation of mitotic proteins","Trafficking of GluR2-containing AMPA receptors","The phototransduction cascade","Activati
on of NIMA Kinases NEK9",NEK6,NEK7,"Long-term potentiation","Signaling by activated point mutants of FGFR1","TRIF(TICAM1)-mediated TLR4 signaling","Nef and signal transduction","MyD88:MAL(TIRAP) casca
de initiated on plasma membrane","FGFR3 mutant receptor activation","Homologous DNA Pairing and Strand Exchange","Activated point mutants of FGFR2","Nef-mediates down modulation of cell surface recept
ors by recruiting them to clathrin adapters","NGF-independant TRKA activation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Transcription of the HIV genome","Spr
y regulation of FGF signaling","PKA-mediated phosphorylation of CREB","CD163 mediating an anti-inflammatory response","FRS-mediated FGFR4 signaling","Regulation of TP53 Degradation","MAPK targets/ Nuc
lear events mediated by MAP kinases","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","PI5P Regulates TP53 Acetylation","p38MAPK events","Frs2-mediated activation
","Loss of Nlp from mitotic centrosomes","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint",Inactivation,"recovery and regulation of the phototra
nsduction cascade","ARMS-mediated activation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","activated TAK1 mediates p38 MAPK activation","Signaling by activated point mutants of FGFR
3","Presynaptic phase of homologous DNA pairing and strand exchange","IKK complex recruitment mediated by RIP1","Nef Mediated CD4 Down-regulation","Ras activation upon Ca2+ influx through NMDA recepto
r","HIV Transcription Elongation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","PKA activation","Activation of the AP-1 family of transcription factors","CREB phosphorylation","APC-Cdc20 med
iated degradation of Nek2A","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{RET,SYK}

> <broad_moa>
{"SYK inhibitor"}

> <synonyms>
{"Tamatinib free base",841290-80-0,841290800,"841290 80 0",R-406,R406,"R 406","R406 (free base)",tamatinib,"R406 free base","R406(free base)",UNII-RC3A285J2G,UNIIRC3A285J2G,"UNII RC3A285J2G",CHEMBL475
251,RC3A285J2G,"841290-80-0 (free base)","841290800 (free base)","841290 80 0 (free base)",C22H23FN6O5,BDBM50249542,3fqs,3piy,Kinome_1211,Kinome1211,Kinome-1211,"Kinome 1211",PubChem22483,QCR-9,QCR9,"
QCR 9",c,T2467,SY-R406,S1533}

> <pdid>
PD003501

> <targets>
{Syk}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{11213558}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 S   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.5516    0.8882    0.0000 N   0  0
   -7.5514    2.0064    0.0000 N   0  0
   -6.7969    3.3028    0.0000 C   0  0
   -7.4023    4.6752    0.0000 C   0  0
   -5.3308    2.9858    0.0000 S   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 11  1  0
  9 17  2  0
 17  5  1  0
 17 18  1  0
 18 19  2  0
 19  3  1  0
 19 20  1  0
 20 21  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13829

> <plate>
PLATE 002

> <well>
E9

> <supplier_cmpd_name>
SKLB1002

> <ctcr_id>
7918

> <supplier_cmpd_id>
T2421

> <smiles>
COc1cc2ncnc(Sc3nnc(C)s3)c2cc1OC

> <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>
{KDR}

> <broad_moa>
{"VEGFR inhibitor"}

> <synonyms>
{SKLB1002,1225451-84-2,1225451842,"2-((6,7-Dimethoxyquinazolin-4-yl)thio)-5-methyl-1,3,4-thiadiazole","2((6,7Dimethoxyquinazolin4yl)thio)5methyl1,3,4thiadiazole",CHEMBL2180603,SKLB-1002,C13H12N4O2S2,A
OB4511,EX-A319,EXA319,HMS3653M04,BCP09480,"2-(6,7-dimethoxyquinazolin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole","2(6,7dimethoxyquinazolin4yl)sulfanyl5methyl1,3,4thiadiazole",2719AH,BDBM50,T2421,S7258}

> <pdid>
PD010377

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{71461003}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
   -5.3894   -6.7591    0.0000 C   0  0
   -3.9504   -7.1827    0.0000 O   0  0
   -2.8628   -6.1485    0.0000 C   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 C   0  0
   -3.2175   -4.6910    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8794   -1.4442    0.0000 N   0  3
    4.3452   -0.0183    0.0000 O   0  5
    4.8818   -2.5602    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19  9  1  0
 19 13  1  0
 12 20  1  0
 20 21  1  0
 20 22  2  0
M  CHG  2  20   1  21  -1
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13830

> <plate>
PLATE 002

> <well>
E10

> <supplier_cmpd_name>
ID-8

> <ctcr_id>
7883

> <supplier_cmpd_id>
T2431

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

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

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

> <pdid>
PD010349

> <targets>
{DYRK}

> <classes>
{Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{791637}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
    7.7999   -3.0121    0.0000 C   0  0
    9.0950   -3.7689    0.0000 N   0  0
    9.0867   -5.2697    0.0000 C   0  0
   10.3832   -6.0242    0.0000 N   0  0
   10.3780   -7.5242    0.0000 C   0  0
    9.0764   -8.2697    0.0000 C   0  0
    7.7800   -7.5152    0.0000 C   0  0
    7.7850   -6.0152    0.0000 C   0  0
    6.4863   -5.2630    0.0000 C   0  0
    5.1851   -6.0107    0.0000 N   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    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
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2935   -3.7495    0.0000 N   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    2.5795   -7.5048    0.0000 C   0  0
    1.2784   -8.2511    0.0000 F   0  0
    3.8762   -8.2589    0.0000 F   0  0
    2.5751   -9.0048    0.0000 F   0  0
   10.3984   -3.0249    0.0000 S   0  0
   11.7015   -2.2818    0.0000 C   0  0
   10.4067   -1.5249    0.0000 O   0  0
   11.6935   -3.7816    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 18  1  0
 23 24  2  0
 24 15  1  0
 13 25  2  0
 25 26  1  0
 26 27  2  0
 27 11  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
  2 32  1  0
 32 33  1  0
 32 34  2  0
 32 35  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13831

> <plate>
PLATE 002

> <well>
E11

> <supplier_cmpd_name>
PF-562271

> <ctcr_id>
1494

> <supplier_cmpd_id>
T2465

> <smiles>
CN(c1ncccc1CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)[S](C)(=O)=O

> <pd_targets>
{MAPK1,ROS1,PTK2,PTK2B,MAP4K4,GRK5,LCK,TAOK1,SIK2,TYK2,PRKCG,MET,GSK3B,FLT1,FGFR3,PLK4,MAP2K2,MST1R,FRK,RPS6KA3,HCK,CSNK1G1,MELK,JAK3,PDPK1,CLK4,FYN,STK3,STK17A,SGK2,MAP3K20,PDGFRB,PAK4,MAP4K2,PAK1,HI
PK2,MARK2,ROCK1,MAPK12,MAP3K10,AXL,LTK,RET,BRSK1,CSNK1G2,RPS6KB1,TNK2,IRAK4,SRPK1,FLT3,BLK,EPHA2,ITK,TSSK1B,ROCK2,FLT4,BCL6,AURKA,PRKCD,CAMKK2,SRC,KDR,MINK1,DAPK3,CDK7,CDK9,CYP3A4,CAMK2G,MAPK10,MATK,P
RKAA1,CLK2,CSNK2A1,CDK5,IRAK1,PRKD3,CAMK2D,LRRK2,PRKACA,NTRK2,SLK,MAP4K5,CDC42BPA,MARK4,PRKCQ,JAK2,TBK1,PRKD2,MARK3,CDK2,FGFR1,CHEK2,PKN2,IGF1R,HIPK4,PRKX,LYN,NTRK1,GSK3A,AURKB,MAPK9,INSR,BTK,CDK1,ALK
}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 3","CMGC protein kinase group","TK protein kinase group","STE protein kinase group","AGC protein kinase
 group","CAMK protein kinase group","Other protein kinase group","CK1 protein kinase group","TKL protein kinase group","Cytochrome P450 family 3A","CMGC protein kinase MAPK family","Tyrosine protein k
inase Sev family","Tyrosine protein kinase Fak family","STE protein kinase STE20 family","AGC protein kinase GRK family","Tyrosine protein kinase Src family","CAMK protein kinase CAMK1 family","Tyrosi
ne protein kinase JakA family","AGC protein kinase PKC family","Tyrosine protein kinase Met family","CMGC protein kinase GSK family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase FGF
R family","Other protein kinase PLK family","STE protein kinase STE7 family","AGC protein kinase RSK family","CK1 protein kinase CK1 family","AGC protein kinase PDK1 subfamily","CMGC protein kinase CL
K family","CAMK protein kinase DAPK family","AGC protein kinase SGK family","TKL protein kinase MLK family","Tyrosine protein kinase PDGFR family","CMGC protein kinase DYRK family","AGC protein kinase
 DMPK family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Ack family","TKL protein kinase IRAK family","CMGC
 protein kinase SRPK family","Tyrosine protein kinase Eph family","Tyrosine protein kinase Tec family","CAMK protein kinase TSSK family","Other protein kinase AUR family","Other protein kinase CAMKK f
amily","CMGC protein kinase CDK family","Cytochrome P450 3A4","CAMK protein kinase CAMK2 family","Tyrosine protein kinase Csk family","Other protein kinase CK2 family","CAMK protein kinase PKD family"
,"TKL protein kinase LRRK family","AGC protein kinase PKA family","Tyrosine protein kinase Trk family","Other protein kinase IKK family","CAMK protein kinase RAD53 family","AGC protein kinase PKN fami
ly","Tyrosine protein kinase InsR family","TKL protein kinase STKR family","CMGC protein kinase ERK1","STE protein kinase MSN subfamily","AGC protein kinase GRK subfamily","STE protein kinase TAO subf
amily","CAMK protein kinase QIK subfamily","AGC protein kinase PKC alpha subfamily","AGC protein kinase RSK subfamily","CAMK protein kinase MELK subfamily","Tyrosine protein kinase SrcA","STE protein 
kinase MST subfamily","TKL protein kinase MLK subfamily","STE protein kinase PAKB subfamily","STE protein kinase KHS subfamily","STE protein kinase PAKA subfamily","CMGC protein kinase HIPK subfamily"
,"CAMK protein kinase MARK subfamily","AGC protein kinase ROCK subfamily","CMGC protein kinase p38 subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinase p70 subfamily","AGC protein kinas
e PKC delta subfamily","Other protein kinase Meta subfamily","CMGC protein kinase CDK7 subfamily","CMGC protein kinase CDK9 subfamily","CMGC protein kinase JNK subfamily","CAMK protein kinase AMPK sub
family","CMGC protein kinase CDK5 subfamily","STE protein kinase SLK subfamily","AGC protein kinase GEK subfamily","CMGC protein kinase CDC2 subfamily","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Kinases (EC 2.7.x.x)","Catalytic receptors","Transcription factors","Cytochrome P450","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","ST
E: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","CK1: Casein kinase 1","BTB (POZ) domain
 containing TFs","CYP3 family","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","STE20 family","G protein-coupled receptor kinases (GRKs)","CAMK-like (CAMKL) family","Protein ki
nase C (PKC) family","Glycogen synthase kinase (GSK) family","Other protein kinases","STE7 family","RSK family","Casein kinase 1 (CK1) family","PDK1 family","CLK family","Death-associated kinase (DAPK
) family","SGK family","TKL: Tyrosine kinase-like","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","DMPK family","SRPK family","Testis specific kinase (TSSK) family","Cy
clin-dependent kinase (CDK) family","CAMK2 family","Protein kinase D (PKD) family","Protein kinase A (PKA) family","Protein kinase N (PKN) family","ERK subfamily","Receptor tyrosine kinases (RTKs)","N
on-receptor tyrosine kinases (nRTKs)","MSN subfamily","GRK4 subfamily","TAO subfamily","QIK subfamily","Alpha subfamily","GSK subfamily","Polo-like kinase (PLK) family","RSK subfamily","MELK subfamily
","MST subfamily","Mixed Lineage Kinase (MLK) family","PAKB subfamily","KHS subfamily","PAKA subfamily","HIPK subfamily","MARK subfamily","Rho kinase","p38 subfamily","BRSK subfamily","p70 subfamily",
"Interleukin-1 receptor-associated kinase (IRAK) family","Aurora kinase (Aur) family","Delta subfamily","CAMKK family","CDK7 subfamily","CDK9 subfamily","JNK subfamily","AMPK subfamily","Casein kinase
 2 (CK2) family","CDK5 subfamily","Leucine-rich repeat kinase (LRRK) family","SLK subfamily","GEK subfamily","IKK family","CDK1 subfamily","CHK1 subfamily","Type XVII RTKs: ROS receptors","Fak family"
,"Src family","Janus kinase (JakA) family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type V RTKs: FGF (fi
broblast growth factor) receptor family","MLK subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XIX RTKs: Leukocyte
 tyrosine kinase (LTK) receptor family","Type XIV RTKs: RET","Ack family","Type XIII RTKs: Ephrin receptor family","Tec family","Meta subfamily","Csk family","Type VII RTKs: Neurotrophin receptor/Trk 
family","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Immune System",Disease,"Cellular responses to external stimuli","Signal Transduction","Cell Cycle","Neuronal System","Developmental Biology","Gene expression (Transcription)","Transport of small mol
ecules",Metabolism,"Programmed Cell Death","Organelle biogenesis and maintenance","Innate Immune System","Infectious disease","Cytokine Signaling in Immune system","Cellular responses to stress","Sign
aling by GPCR",Mitotic,"Transmission across Chemical Synapses","Nervous system development","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and sec
ond messengers","Intracellular signaling by second messengers","RNA Polymerase II Transcription","Signaling by Hippo","Ion channel transport","Metabolism of lipids","MTOR signalling","Adaptive Immune 
System",Apoptosis,"Signaling by Non-Receptor Tyrosine Kinases","Cilium Assembly","Signaling by Rho GTPases","Toll-like Receptor Cascades","Leishmania infection","Signaling by Interleukins","Cellular S
enescence","GPCR downstream signalling","HIV Infection","M Phase","Interferon Signaling","Neurotransmitter receptors and postsynaptic signal transmission","Axon guidance","SARS-CoV Infections","Signal
ing by VEGF","Signaling by FGFR in disease","Mitotic G2-G2/M phases","Signaling by NTRKs","Signaling by MST1","PIP3 activates AKT signaling","Generic Transcription Pathway","Stimuli-sensing channels",
"Sphingolipid metabolism","mTORC1-mediated signalling","Signaling by Insulin receptor","TCR signaling","DAG and IP3 signaling","Caspase activation via extrinsic apoptotic signalling pathway","Biosynth
esis of specialized proresolving mediators (SPMs)","Signaling by ERBB2","Signaling by PTK6","Anchoring of the basal body to the plasma membrane","Mitotic G1 phase and G1/S transition","Oncogenic MAPK 
signaling","RHO GTPase Effectors","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Regulation of mitotic cell cycle","Toll Like Receptor 5 (TLR5) Cascade","Parasite infection","Int
erleukin-2 family signaling","Oxidative Stress Induced Senescence","G alpha (q) signalling events","Host Interactions of HIV factors","Mitotic Metaphase and Anaphase","Interferon alpha/beta signaling"
,"Glutamate binding","activation of AMPA receptors and synaptic plasticity","Semaphorin interactions","SARS-CoV-1 Infection","VEGF ligand-receptor interactions","Signaling by FGFR3 in disease","G2/M T
ransition","Signaling by NTRK1 (TRKA)","PTEN Regulation","Transcriptional Regulation by TP53","Negative regulation of the PI3K/AKT network","Signaling by ROBO receptors","EPH-Ephrin signaling","VEGFA-
VEGFR2 Pathway","RET signaling","Sphingolipid de novo biosynthesis","Toll Like Receptor 2 (TLR2) Cascade","Insulin receptor signalling cascade","Transcriptional regulation by RUNX1","Generation of sec
ond messenger molecules","CaM pathway","Activation of NMDA receptors and postsynaptic events","Caspase activation via Dependence Receptors in the absence of ligand","HIV Life Cycle","Biosynthesis of D
HA-derived SPMs","Downregulation of ERBB2 signaling","PTK6 promotes HIF1A stabilization","G alpha (i) signalling events","G1 Phase","Toll Like Receptor 4 (TLR4) Cascade","Signaling by RAS mutants","Si
gnaling by FGFR1 in disease","RHO GTPases activate PKNs","IGF1R signaling cascade","Leishmania parasite growth and survival","APC/C-mediated degradation of cell cycle proteins","MyD88 cascade initiate
d on plasma membrane","Leishmania phagocytosis","Interleukin-2 signaling","The role of Nef in HIV-1 replication and disease pathogenesis","Mitotic Anaphase","Regulation of IFNA signaling","Trafficking
 of AMPA receptors","Sema4D in semaphorin signaling","SARS-CoV-1 Genome Replication and Transcription","VEGF binds to VEGFR leading to receptor dimerization","Signaling by FGFR3 point mutants in cance
r","Centrosome maturation","Signalling to ERKs","Regulation of PTEN stability and activity","Interleukin-15 signaling","Regulation of TP53 Activity",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","A
ctivation of RAC1","EPHB-mediated forward signaling","Toll Like Receptor TLR6:TLR2 Cascade","IRS-mediated signalling","RUNX1 regulates transcription of genes involved in BCR signaling","EPHA-mediated 
growth cone collapse","TP53 Regulates Transcription of Cell Death Genes","Calmodulin induced events","Post NMDA receptor activation events","VEGFR2 mediated cell proliferation","Late Phase of HIV Life
 Cycle","Biosynthesis of maresins","Activation of TRKA receptors","Visual phototransduction","Cyclin D associated events in G1","MyD88-independent TLR4 cascade","Signaling downstream of RAS mutants","
FGFR1 mutant receptor activation","IRS-related events triggered by IGF1R","Anti-inflammatory response favouring Leishmania parasite infection","Activation of APC/C and APC/C:Cdc20 mediated degradation
 of mitotic proteins","MAP kinase activation","FCGR3A-mediated phagocytosis","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Separation of Sister Chro
matids","Trafficking of GluR2-containing AMPA receptors","Sema4D mediated inhibition of cell attachment and migration","Replication of the SARS-CoV-1 genome","FGFR3 mutant receptor activation","Loss o
f proteins required for interphase microtubule organization from the centrosome","Prolonged ERK activation events","Nef and signal transduction","Regulation of TP53 Expression and Degradation","Regula
tion of TP53 Activity through Phosphorylation","Sema4D induced cell migration and growth-cone collapse","Signalling to RAS","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","PI3K Cascade","TP53
 regulates transcription of several additional cell death genes whose specific roles in p53-dependent apoptosis remain uncertain","Activation of AMPK downstream of NMDARs","Transcription of the HIV ge
nome","Biosynthesis of maresin-like SPMs","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","NGF-independant TRKA activation","The phototransduction cascade","TRIF(TIC
AM1)-mediated TLR4 signaling","Signaling by activated point mutants of FGFR1","ADORA2B mediated anti-inflammatory cytokines production","FCGR3A-mediated IL10 synthesis","APC/C:Cdc20 mediated degradati
on of mitotic proteins","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","Signaling by activated point mutants of FGFR3","Loss of Nlp from mitotic centrosomes"
,"Frs2-mediated activation","Regulation of TP53 Degradation","p38MAPK events","HIV Transcription Elongation","Ras activation upon Ca2+ influx through NMDA receptor","activated TAK1 mediates p38 MAPK a
ctivation",Inactivation,"recovery and regulation of the phototransduction cascade","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","ARMS-mediated activation","APC:Cdc20 mediated degradation of 
cell cycle proteins prior to satisfation of the cell cycle checkpoint","ERK/MAPK targets","CREB phosphorylation","Tat-mediated elongation of the HIV-1 transcript","Activation of the AP-1 family of tra
nscription factors","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERKs are inactivated","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{PTK2,PTK2B}

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

> <synonyms>
{PF-562271,PF562271,717907-75-0,717907750,"PF-562271 free base","PF562271 free base",CHEMBL1084546,"PF 562271",UNII-K5BX8ZA7UF,UNIIK5BX8ZA7UF,"717907-75-0 (free base)","717907750 (free base)",K5BX8ZA7
UF,"PF562271 besylate;PF 562271 besylate","PF-562,271","PF562,271",C21H20F3N7O3S,"PF-00562271 free base","PF00562271 free base",Kinome_3857,Kinome3857,Kinome-3857,"Kinome 3857",3bz3,MLS0060112,T2465,S
Y-PF562271,S2890}

> <pdid>
PD010529

> <targets>
{"",FAK,RTKs}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{11713159}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 23 26  0  0  0  0            999 V2000
   -0.2237   -5.5078    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
   -2.1567   -3.7722    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    5.0460   -2.3579    0.0000 N   0  0
    6.2815   -1.5087    0.0000 C   0  0
    7.7400   -1.8590    0.0000 C   0  0
    8.7727   -0.7711    0.0000 C   0  0
    8.3468    0.6672    0.0000 C   0  0
    9.3795    1.7552    0.0000 O   0  0
    6.8883    1.0176    0.0000 C   0  0
    5.8557   -0.0704    0.0000 C   0  0
    4.3570   -0.0307    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15  9  1  0
 15 16  1  0
 16  7  2  0
  6 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23  4  1  0
 23 17  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13832

> <plate>
PLATE 002

> <well>
F2

> <supplier_cmpd_name>
Torkinib

> <ctcr_id>
1626

> <supplier_cmpd_id>
T2414

> <smiles>
CC(C)n1nc(c2[nH]c3ccc(O)cc3c2)c4c(N)ncnc14

> <pd_targets>
{DYRK1A,PI4KB,PIK3CA,PIK3CG,MTOR,ABL1,EGFR,EPHB4,MAP2K4,BRSK2,CSNK1A1L,CAMK1D,CLK2,EPHA3,FGR,FLT1,FLT3,IRAK4,KIT,MAP2K2,MLST8,RPTOR,MAP2K5,ANKK1,LCK,EPHA5,SIK2,PAK5,NLK,MYO3A,TNK2,BRD4,CSNK2A2,ERBB3,B
MPR1B,CDK8,AXL,BLK,MAP4K1,ABL2,PIM3,BRAF,EPHA6,MKNK1,ACVR2A,MAP3K3,PIK3C2B,MAP2K3,EIF2AK2,GAK,HIPK3,PLK4,BMP2K,HIPK2,STK35,MAP3K20,MAP3K7,PIP4K2C,MAP3K19,CSNK1G1,MAP4K4,MAP3K1,PRKCE,STK10,NTRK2,PLK2,C
DK19,MARK2,STK26,PDGFRA,PIM2,MERTK,PAK4,RPS6KA6,FGFR3,DAPK1,PIM1,STK17B,RET,LRRK2,CAMK2A,EPHA4,EPHA8,EPHB1,EPHB2,LTK,MAP2K1,CSNK1G2,FRK,HCK,LYN,PIK3CD,PLK3,EPHA2,TGFBR2,JAK3,CLK1,CSNK1D,DAPK3,FGFR2,MA
PKAP1,RICTOR,DDR1,ACVR2B,EPHB6,MAP4K2,STK16,ERBB2,TAOK1,PIK3CB,BTK,CDK4,MYO3B,CDK7,TNK1,DAPK2,AAK1,TNIK,MYLK,MAP3K9,AKT3,MKNK2,RIOK2,KDR,SIK3,CHEK2,JAK1,RIPK2,DMPK,STK33,FGFR4,FYN,PTK6,PHKG2,PRKACA,PR
KG2,RPS6KB1,RPS6KA4,FLT4,MINK1,RPS6KA1,PRKCH,CSF1R,CSK,CSNK1A1,GRK7,PAK2,STK32A,GRK1,JAK2,DYRK2,NTRK1,ACVR1B,ACVR1,PIK3C2G,IRAK3,TNNI3K,STK32B,RIPK4,CSNK2A1,HIPK1,STK3,MYLK3,PIP5K1C,SLK,BMPR2,BMX,ROS1
,BMPR1A,CSNK1G3,TTK,TEK,PAK6,RPS6KA3,TAOK2,RPS6KA5,PRKDC,COQ8B,PKNB,CDPK1,DSTYK,SRC,YES1,TYK2,FGFR1,EPHA1,CASK,ALK,BRSK1,CAMKK2,ULK3,IRAK1,TXK,TGFBR1,TESK1,LATS2,MELK,TAOK3,CLK4,HIPK4,SIK1,MAP3K2,COQ8
A,ULK2,PDGFRB,CSNK1E,MAPK14,DDR2,ACVRL1,NUAK2,DCLK3,PASK}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein",Kinase,Transferase,Reader,"Protein Kinase",Bromodomain,"CMGC protein kinase group","Atypical protein kinase group","TK protein kinase group","STE 
protein kinase group","CAMK protein kinase group","CK1 protein kinase group","TKL protein kinase group","Other protein kinase group","AGC protein kinase group","CMGC protein kinase DYRK family","Atypi
cal protein kinase PIKK family","Tyrosine protein kinase Abl family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Eph family","STE protein kinase STE7 family","CAMK protein kinase CA
MK1 family","CK1 protein kinase CK1 family","CMGC protein kinase CLK family","Tyrosine protein kinase Src family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","TKL pro
tein kinase IRAK family","TKL protein kinase RIPK family","STE protein kinase STE20 family","CMGC protein kinase MAPK family","Tyrosine protein kinase Ack family","Other protein kinase CK2 family","TK
L protein kinase STKR family","CMGC protein kinase CDK family","Tyrosine protein kinase Axl family","CAMK protein kinase PIM family","TKL protein kinase RAF family","CAMK protein kinase MAPKAPK family
","STE protein kinase STE11 family","Other protein kinase PEK family","Other protein kinase NAK family","Other protein kinase PLK family","Other protein kinase NKF4 family","TKL protein kinase MLK fam
ily","AGC protein kinase PKC family","Tyrosine protein kinase Trk family","AGC protein kinase RSK family","Tyrosine protein kinase FGFR family","CAMK protein kinase DAPK family","Tyrosine protein kina
se Ret family","TKL protein kinase LRRK family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase Alk family","Tyrosine protein kinase JakA family","Tyrosine protein kinase DDR family","Tyro
sine protein kinase Tec family","CAMK protein kinase MLCK family","AGC protein kinase AKT family","Atypical protein kinase RIO family","CAMK protein kinase RAD53 family","AGC protein kinase DMPK famil
y","CAMK protein kinase unique family","CAMK protein kinase PHk family","AGC protein kinase PKA family","AGC protein kinase PKG family","Tyrosine protein kinase Csk family","AGC protein kinase GRK fam
ily","AGC protein kinase YANK family","Tyrosine protein kinase Sev family","Other protein kinase TTK family","Tyrosine protein kinase Tie family","Atypical protein kinase ABC1 family","Other protein k
inase CAMKK family","Other protein kinase ULK family","TKL protein kinase LISK family","AGC protein kinase NDR family","CAMK protein kinase DCAMK1 family","CMGC protein kinase Dyrk1 subfamily","Atypic
al protein kinase FRAP subfamily","CAMK protein kinase BRSK subfamily","CK1 protein kinase CK1-a","CAMK protein kinase QIK subfamily","STE protein kinase PAKB subfamily","CMGC protein kinase nmo subfa
mily","STE protein kinase NinaC subfamily","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase CDK8 subfamily","STE protein kinase KHS subfamily","CAMK protein kinase MNK subfamily","TKL p
rotein kinase STKR Type 2 subfamily","STE protein kinase MEKK2","Other protein kinase PKR","CMGC protein kinase HIPK subfamily","TKL protein kinase MLK subfamily","TKL protein kinase TAK1 subfamily","
STE protein kinase MSN subfamily","AGC protein kinase PKC eta subfamily","STE protein kinase SLK subfamily","Other protein kinase PLK2","CAMK protein kinase MARK subfamily","STE protein kinase YSK sub
family","AGC protein kinase RSK subfamily","STE protein kinase TAO subfamily","CMGC protein kinase CDK7 subfamily","Atypical protein kinase RIO2 subfamily","AGC protein kinase GEK subfamily","Tyrosine
 protein kinase SrcA","AGC protein kinase p70 subfamily","AGC protein kinase MSK subfamily","AGC protein kinase GRK subfamily","STE protein kinase PAKA subfamily","CMGC protein kinase Dyrk2 subfamily"
,"TKL protein kinase STKR1","TKL protein kinase HH498 subfamily","STE protein kinase MST subfamily","CK1 protein kinase CK1-g","Atypical protein kinase ABC1-A subfamily","Other protein kinase Meta sub
family","TKL protein kinase TESK subfamily","CAMK protein kinase MELK subfamily","CMGC protein kinase p38 subfamily","CAMK protein kinase NuaK subfamily","CAMK protein kinase PASK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","Chromatin modifying enzymes","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Lipid modifying kinases",Atypical,"Receptor kinases","STE
: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kinases","CK1: Casein kinase 1","Enzymatic bromodomain-containing proteins","AGC: Containin
g PKA",PKG,"PKC families","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","1-phosphatidylinositol 4-kinase family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family
","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","TK: Tyrosine kinase","STE7 family","CAMK-like (CAMKL) family","Casein kinase 1 (CK1) family","CAMK1 family","CLK family","TKL: Tyrosi
ne kinase-like","STE20 family","Mitogen-activated protein kinases (MAP kinases)","Bromodomain kinase (BRDK) family","Other protein kinases","Cyclin-dependent kinase (CDK) family","PIM family","MAPK-Ac
tivated Protein Kinase (MAPKAPK) family","STE11 family","Phosphatidylinositol-4-phosphate 3-kinase family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Protein kinase C 
(PKC) family","RSK family","Death-associated kinase (DAPK) family","CAMK2 family","Myosin Light Chain Kinase (MLCK) family","Akt (Protein kinase B","PKB) family","RIO family","DMPK family","CAMK-uniqu
e family","Phosphorylase kinase (PHK) family","Protein kinase A (PKA) family","Protein kinase G (PKG) family","G protein-coupled receptor kinases (GRKs)","YANK family","Type I PIP kinases (1-phosphati
dylinositol-4-phosphate 5-kinase family)","ABC1 family","CASK family","NDR family","DCAMKL family","Dyrk1 subfamily","FRAP subfamily","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases
 (RTKs)","BRSK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","Receptor interacting protein kinase (RIPK) family","QIK subfamily","PAKB subfamily","nmo subfamily","NinaC subfamily
","Casein kinase 2 (CK2) family","Receptor serine/threonine kinase (RSTK) family","CDK8 subfamily","KHS subfamily","RAF family","MKN subfamily","PEK family","Numb-associated kinase (NAK) family","HIPK
 subfamily","Polo-like kinase (PLK) family","NKF4 family","Mixed Lineage Kinase (MLK) family","STE20 subfamily","MSN subfamily","Eta subfamily","SLK subfamily","MARK subfamily","YSK subfamily","RSK su
bfamily","Leucine-rich repeat kinase (LRRK) family","NAK family","TAO subfamily","CDK4 subfamily","CDK7 subfamily","RIO2 subfamily","CHK1 subfamily","GEK subfamily","p70 subfamily","MSK subfamily","Op
sin/rhodopsin kinases","PAKA subfamily","Dyrk2 subfamily","MST subfamily","TTK family","Other PIKK family kinases","ABC1-B subfamily","Other-unique family","CAMKK family","Unc-51-like kinase (ULK) fam
ily","LIM domain kinase (LISK) family","MELK subfamily","p38 subfamily","NuaK subfamily","PASK subfamily","Abl family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XIII RTKs: Ep
hrin receptor family","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Ack family","Type I receptor serine
/threonine kinases","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type II receptor serine/threonine kinases","Other PEK family kinases","MLK subfamily","TAK1 subfamily","Type VII RTK
s: Neurotrophin receptor/Trk family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type XIV RTKs: RET","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Janus kinase (
JakA) family","Type XVI RTKs: DDR (collagen receptor) family","Tec family","Csk family","HH498 subfamily","Type XVII RTKs: ROS receptors","Type XII RTKs: TIE family of angiopoietin receptors","Meta su
bfamily","TESK subfamily"}

> <pathway_reactome>
{"Cell Cycle",Metabolism,Disease,"Gene expression (Transcription)","Signal Transduction","Developmental Biology","Immune System","Vesicle-mediated transport","Cellular responses to external stimuli","
Programmed Cell Death",Hemostasis,"Neuronal System","Extracellular matrix organization","Metabolism of RNA","Muscle contraction","Cell-Cell communication","Circadian Clock",Mitotic,"Metabolism of lipi
ds","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Infectious disease","Signaling by GPCR","Nervous system development","Innate I
mmune System","Signaling by Receptor Tyrosine Kinases","Signaling by WNT","Intracellular signaling by second messengers","Signaling by TGFB family members","Signaling by NODAL","Cytokine Signaling in 
Immune system","Membrane Trafficking","Cellular responses to stress",Apoptosis,"Cell surface interactions at the vascular wall","Transmission across Chemical Synapses","Signaling by Non-Receptor Tyros
ine Kinases","Non-integrin membrane-ECM interactions","Signaling by Rho GTPases","rRNA processing","Cardiac conduction","Metabolism of carbohydrates","MAPK family signaling cascades","MTOR signalling"
,"Signaling by Hippo","Signaling by Hedgehog","Cell junction organization","Mitotic G1 phase and G1/S transition","Phospholipid metabolism","Signaling by FGFR in disease","Generic Transcription Pathwa
y","Leishmania infection","GPCR downstream signalling","Axon guidance","Toll-like Receptor Cascades","Signaling by VEGF","Signaling by Insulin receptor","Signaling by KIT in disease","Signaling by NTR
Ks","HIV Infection","Beta-catenin independent WNT signaling","SARS-CoV Infections","PIP3 activates AKT signaling","Signaling by BMP","Signaling by NOTCH1 in Cancer","Signaling by FGFR","Regulation of 
signaling by NODAL","Signaling by Interleukins","Influenza Infection","trans-Golgi Network Vesicle Budding","Mitotic G2-G2/M phases","Cellular Senescence","Fcgamma receptor (FCGR) dependent phagocytos
is","Neutrophil degranulation","Regulation of lipid metabolism by PPARalpha","Apoptotic execution phase","Signaling by PDGFR in disease","Neurotransmitter receptors and postsynaptic signal transmissio
n","Caspase activation via extrinsic apoptotic signalling pathway","FLT3 signaling in disease","Signaling by PTK6","Sphingolipid metabolism","Signaling by TGF-beta Receptor Complex in Cancer","M Phase
","Clathrin-mediated endocytosis","RHO GTPase Effectors","rRNA processing in the nucleus and cytosol","Interferon Signaling","Ion homeostasis","Glycogen metabolism","MAPK1/MAPK3 signaling","mTORC1-med
iated signalling","Oncogenic MAPK signaling","Signaling by WNT in cancer","Cytosolic sensors of pathogen-associated DNA","Hedgehog 'on' state","Fc epsilon receptor (FCERI) signaling","Cell-extracellul
ar matrix interactions","G0 and Early G1","PI Metabolism","Signaling by FGFR1 in disease","Transcriptional Regulation by TP53","Parasite infection","G alpha (q) signalling events","EPH-Ephrin signalin
g","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival","VEGF ligand-receptor interactions","Insulin receptor signalling cascade","Toll Like Receptor 2 (TLR2) Cascade","Drug
 resistance of KIT mutants","Signaling by NTRK1 (TRKA)","Host Interactions of HIV factors","Signaling by ROBO receptors","Ca2+ pathway","Potential therapeutics for SARS","Negative regulation of the PI
3K/AKT network","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","VEGFA-VEGFR2 Pathway","Transcriptional regulation by RUNX1","Signaling by FGFR4","Interleukin-1 family signaling","NS1 Mediated 
Effects on Host Pathways","Golgi Associated Vesicle Biogenesis","G2/M Transition","Toll Like Receptor 4 (TLR4) Cascade","Oxidative Stress Induced Senescence","Role of phospholipids in phagocytosis","P
PARA activates gene expression","Apoptotic cleavage of cellular proteins","Drug resistance of PDGFR mutants","Activation of NMDA receptors and postsynaptic events","Signaling by FGFR3 in disease","Cas
pase activation via Dependence Receptors in the absence of ligand","Signaling by FLT3 ITD and TKD mutants","RET signaling","PTK6 promotes HIF1A stabilization","Sphingolipid de novo biosynthesis","PTEN
 Regulation",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Loss of Function of SMAD2/3 in Cancer","Interleukin-2 family signaling","Signaling by FGFR2 in disease","Semaphorin interactions","Mito
tic Metaphase and Anaphase","G1 Phase","HIV Life Cycle","Cargo recognition for clathrin-mediated endocytosis","RHO GTPases activate PAKs","Major pathway of rRNA processing in the nucleolus and cytosol
","Antiviral mechanism by IFN-stimulated genes","Glycogen breakdown (glycogenolysis)","RAF/MAP kinase cascade","L1CAM interactions","G alpha (z) signalling events","Transcriptional Regulation by VENTX
","Signaling by RAS mutants","Signaling by AMER1 mutants","G alpha (i) signalling events","STING mediated induction of host immune responses","Interferon alpha/beta signaling","FCERI mediated Ca+2 mob
ilization","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","Synthesis of PIPs at the Golgi membrane","FGFR1 mutant receptor activation","Synthesis of PIPs at the p
lasma membrane","Regulation of TP53 Activity","Leishmania phagocytosis","Gastrin-CREB signalling pathway via PKC and MAPK","EPHB-mediated forward signaling","MyD88 cascade initiated on plasma membrane
","EPHA-mediated growth cone collapse","Anti-inflammatory response favouring Leishmania parasite infection","VEGF binds to VEGFR leading to receptor dimerization","IRS-mediated signalling","Toll Like 
Receptor TLR6:TLR2 Cascade","Dasatinib-resistant KIT mutants","Signalling to ERKs","Signalling to ERK5","The role of Nef in HIV-1 replication and disease pathogenesis","Activation of RAC1",PI5P,"PP2A 
and IER3 Regulate PI3K/AKT Signaling","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","RUNX1 regulates transcription of genes involved in BCR signaling","Role of ABL in ROBO-SLIT signaling",
"Negative regulation of FGFR4 signaling","Interleukin-1 signaling","Inhibition of PKR","Centrosome maturation","MyD88-independent TLR4 cascade","Activation of TRKA receptors","Imatinib-resistant PDGFR
 mutants","Post NMDA receptor activation events","Signaling by FGFR3 point mutants in cancer","STAT5 activation downstream of FLT3 ITD mutants","Regulation of PTEN stability and activity","Interleukin
 receptor SHC signaling","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Interleukin-15 signaling","FGFR2 mutant receptor activation","Sema4D in semaphorin signaling","Mitotic Anaphase","Cyclin D a
ssociated events in G1","Late Phase of HIV Life Cycle","VEGFR2 mediated cell proliferation","ISG15 antiviral mechanism","Downstream signaling of activated FGFR4","RAS processing","Recycling pathway of
 L1","Signaling downstream of RAS mutants","Truncations of AMER1 destabilize the destruction complex","Visual phototransduction","SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion","IR
F3-mediated induction of type I IFN","Regulation of IFNA signaling","Assembly and cell surface presentation of NMDA receptors","Signaling by cytosolic FGFR1 fusion mutants","Regulation of TP53 Express
ion and Degradation","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","MAP kinase activation","FCGR3A-mediated IL10 synthesis","PI3K Cascade","MyD88:MAL(TIRAP) cascade initiated on pla
sma membrane","Prolonged ERK activation events","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Regulation of TP53 Activity through Phosphorylation","
Spry regulation of FGF signaling","Loss of proteins required for interphase microtubule organization from the centrosome","TRIF(TICAM1)-mediated TLR4 signaling","Regulation of TP53 Activity through Ac
etylation","NGF-independant TRKA activation","CD163 mediating an anti-inflammatory response","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","FGFR3 mutant receptor a
ctivation","Nef and signal transduction","Activated point mutants of FGFR2","Sema4D induced cell migration and growth-cone collapse","Separation of Sister Chromatids","Transcription of the HIV genome"
,"FRS-mediated FGFR4 signaling","The phototransduction cascade","Signalling to RAS","Signaling by activated point mutants of FGFR1","Activation of AMPK downstream of NMDARs","Regulation of TP53 Degrad
ation","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Frs2-mediated activation","Nef Mediated CD4 Down-regulation","ARMS-mediated activation","activated TAK1 m
ediates p38 MAPK activation","Loss of Nlp from mitotic centrosomes","TRAF6-mediated induction of TAK1 complex within TLR4 complex","PI5P Regulates TP53 Acetylation","RSK activation","Signaling by acti
vated point mutants of FGFR3","Ras activation upon Ca2+ influx through NMDA receptor","HIV Transcription Elongation","MAPK targets/ Nuclear events mediated by MAP kinases",Inactivation,"recovery and r
egulation of the phototransduction cascade","p38MAPK events","Tat-mediated elongation of the HIV-1 transcript","CREB phosphorylation","Activation of the AP-1 family of transcription factors","Formatio
n of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{MTOR,PASK}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{PP242,1092351-67-1,1092351671,TORKinib,PP-242,"PP 242","Torkinib (PP242)","2-(4-amino-1-isopropyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)-1H-indol-5-ol","2(4amino1isopropyl1Hpyrazolo(3,4d)pyrimidin3yl)1Hin
dol5ol",UNII-H5669VNZ7V,UNIIH5669VNZ7V,H5669VNZ7V,CHEBI:90679,2-(4-Amino-1-(Propan-2-Yl)-1h-Pyrazolo(3,2(4Amino1(Propan2Yl)1hPyrazolo(3,4-D)pyrimidin-3-Yl)-1h-Indol-5-O,4D)pyrimidin3Yl)1hIndol5O,T2414
,S2218,Torkinib}

> <pdid>
PD010820

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

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

> <pubchem_cids>
{135565635}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 O   0  0
    1.2960    5.2539    0.0000 C   0  0
   -0.0056    5.9995    0.0000 C   0  0
   -0.0108    7.4995    0.0000 C   0  0
    1.2856    8.2540    0.0000 C   0  0
    1.5920    9.7216    0.0000 N   0  0
    3.0832    9.8835    0.0000 C   0  0
    3.8287   11.1851    0.0000 C   0  0
    3.6981    8.5153    0.0000 C   0  0
    2.5873    7.5085    0.0000 C   0  0
    2.5924    6.0085    0.0000 C   0  0
    3.8941    5.2631    0.0000 F   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.8244   -8.3594    0.0000 C   0  0
   -3.3609   -9.7860    0.0000 C   0  0
   -1.8609   -9.7860    0.0000 C   0  0
   -1.3973   -8.3594    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  2  0
 15 16  1  0
 16 11  1  0
 16 17  2  0
 17  8  1  0
 17 18  1  0
  6 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  5  1  0
 22 23  1  0
 23 24  2  0
 24  3  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 29  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13833

> <plate>
PLATE 002

> <well>
F3

> <supplier_cmpd_name>
Cediranib

> <ctcr_id>
625

> <supplier_cmpd_id>
T2500

> <smiles>
COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN5CCCC5

> <pd_targets>
{KDR,BTK,MET,EGFR,GAK,SRC,PRKD2,STK26,DDR1,HCK,MAP4K1,MERTK,MAP4K3,ERBB2,ERN1,CSNK1E,ABL1,PDGFRB,MAP3K19,MAP4K4,DDR2,EPHA3,YES1,PTK6,PLK4,TYRO3,FGFR1,RIPK2,MAP4K2,KIT,FER,PDGFRA,SLK,BLK,ERBB4,AURKB,CS
F1R,EPHA1,LCK,TIE1,SIK2,MAPK14,LTK,TAOK3,FRK,RET,MAP2K2,MAP2K5,FGFR2,STK35,ACVR1B,AXL,EIF2AK1,FLT1,LYN,FYN,FGR,TGFBR1,FGFR3,FLT3,FLT4,MAP4K5,EPHA6,ACVR1,CHEK2,MINK1,MST1R,ABL2,EPHA8,TEK,CAMK2B,ALK,EPH
B4,EPHB6,AURKC,TNIK,TAOK2,EPHA7,STK33,FGFR4,STK3,STK4,ERBB3,SYK,STK10,TAOK1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,Transferase,"Protein Kinase","TK protein kinase group","Other protein kinase group","CAMK protein kinase group","STE protein kinase group","CK1 protein kinase gro
up","TKL protein kinase group","CMGC protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Met family","Tyrosine protein kinase EGF
R family","Other protein kinase NAK family","Tyrosine protein kinase Src family","CAMK protein kinase PKD family","STE protein kinase STE20 family","Tyrosine protein kinase DDR family","Tyrosine prote
in kinase Axl family","CK1 protein kinase CK1 family","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR family","STE protein kinase STE11 family","Tyrosine protein kinase Eph family"
,"Other protein kinase PLK family","Tyrosine protein kinase FGFR family","TKL protein kinase RIPK family","Tyrosine protein kinase Fer family","Other protein kinase AUR family","Tyrosine protein kinas
e Tie family","CAMK protein kinase CAMK1 family","CMGC protein kinase MAPK family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Ret family","STE protein kinase STE7 family","Other pro
tein kinase NKF4 family","TKL protein kinase STKR family","Other protein kinase PEK family","CAMK protein kinase RAD53 family","CAMK protein kinase CAMK2 family","CAMK protein kinase unique family","T
yrosine protein kinase Syk family","STE protein kinase YSK subfamily","STE protein kinase KHS subfamily","STE protein kinase MSN subfamily","STE protein kinase SLK subfamily","CAMK protein kinase QIK 
subfamily","CMGC protein kinase p38 subfamily","STE protein kinase TAO subfamily","TKL protein kinase STKR Type 1 subfamily","Other protein kinase HRI","Tyrosine protein kinase SrcA","TKL protein kina
se STKR1","STE protein kinase MST subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kina
ses","CK1: Casein kinase 1","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TK: Tyrosine kinase","Other protein kinases","Protein kinase D (PKD) family","STE20 family","Casein kinase 1 (CK1) family",
"TKL: Tyrosine kinase-like","CAMK-like (CAMKL) family","Mitogen-activated protein kinases (MAP kinases)","STE7 family","CAMK2 family","CAMK-unique family","Receptor tyrosine kinases (RTKs)","Non-recep
tor tyrosine kinases (nRTKs)","Numb-associated kinase (NAK) family","YSK subfamily","KHS subfamily","IRE family","STE20 subfamily","MSN subfamily","Polo-like kinase (PLK) family","Receptor interacting
 protein kinase (RIPK) family","SLK subfamily","Aurora kinase (Aur) family","QIK subfamily","p38 subfamily","TAO subfamily","NKF4 family","Receptor serine/threonine kinase (RSTK) family","PEK family",
"CHK1 subfamily","MST subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Tec family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type I RTKs: ErbB
 (epidermal growth factor) receptor family","Src family","Type XVI RTKs: DDR (collagen receptor) family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Abl family","Type III RTKs: PDG
FR",CSFR,Kit,"FLT3 receptor family","Type XIII RTKs: Ephrin receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Fer family","Type XII RTKs: TIE family of angiopoietin recep
tors","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XIV RTKs: RET","Type I receptor serine/threonine kinases","Other PEK family kinases","Syk family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Developmental Biology","Vesicle-mediated transport",Metabolism,"Programmed Cell Death","Extracellular matrix organization",Hemostasis,"Metabolism of proteins","Cell Cyc
le","Cellular responses to external stimuli","Immune System","Gene expression (Transcription)","Neuronal System","Signaling by Receptor Tyrosine Kinases","Infectious disease","Nervous system developme
nt","Signaling by GPCR","Membrane Trafficking","Metabolism of lipids",Apoptosis,"Non-integrin membrane-ECM interactions","Cell surface interactions at the vascular wall","Unfolded Protein Response (UP
R)",Mitotic,"Intracellular signaling by second messengers","Cellular responses to stress","Diseases of signal transduction by growth factor receptors and second messengers","Innate Immune System","RNA
 Polymerase II Transcription","Transmission across Chemical Synapses","Signaling by NODAL","MAPK family signaling cascades","Signaling by Hippo","Signaling by VEGF","Leishmania infection","Axon guidan
ce","GPCR downstream signalling","trans-Golgi Network Vesicle Budding","Signaling by NTRKs","Sphingolipid metabolism","Apoptotic execution phase","HIV Infection","IRE1alpha activates chaperones","Mito
tic G2-G2/M phases","PIP3 activates AKT signaling","Cellular Senescence","Mitotic G1 phase and G1/S transition","Signaling by FGFR in disease","Toll-like Receptor Cascades","Signaling by KIT in diseas
e","Signaling by SCF-KIT","Signaling by PDGFR in disease","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","M Phase","Regulation of signaling by NODAL"
,"Response of EIF2AK1 (HRI) to heme deficiency","Signaling by TGF-beta Receptor Complex in Cancer","Signaling by Insulin receptor","Signaling by MST1","MAPK1/MAPK3 signaling","Signaling by FGFR","Neut
rophil degranulation","VEGFA-VEGFR2 Pathway","Parasite infection","Semaphorin interactions","G alpha (q) signalling events","Golgi Associated Vesicle Biogenesis","Signaling by NTRK1 (TRKA)","Sphingoli
pid de novo biosynthesis","Apoptotic cleavage of cellular proteins","Host Interactions of HIV factors","G2/M Transition","Negative regulation of the PI3K/AKT network","Oxidative Stress Induced Senesce
nce","EPH-Ephrin signaling","Leishmania parasite growth and survival","G1 Phase","Signaling by FGFR1 in disease","Toll Like Receptor 5 (TLR5) Cascade","Drug resistance of KIT mutants","Drug resistance
 of PDGFR mutants","Transcriptional regulation by RUNX1","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Transcriptional Regulation by VENTX","PTEN Regulation"
,"RET signaling","Signaling by FGFR2 in disease","VEGF ligand-receptor interactions","Loss of Function of SMAD2/3 in Cancer","Signaling by FGFR3 in disease","Insulin receptor signalling cascade","Tran
scriptional Regulation by TP53","Signaling by ROBO receptors","RAF/MAP kinase cascade","Signaling by FGFR4","VEGFR2 mediated cell proliferation","Leishmania phagocytosis","Sema4D in semaphorin signali
ng","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","The role of Nef in HIV-1 replication and disease pathogenesis","Centrosome maturation",PI5P,"PP2A and IER3 Regulate PI3K/AK
T Signaling","EPHA-mediated growth cone collapse","Anti-inflammatory response favouring Leishmania parasite infection","Cyclin D associated events in G1","FGFR1 mutant receptor activation","MyD88 casc
ade initiated on plasma membrane","Dasatinib-resistant KIT mutants","Imatinib-resistant PDGFR mutants","RUNX1 regulates transcription of genes involved in BCR signaling","Post NMDA receptor activation
 events","Mitotic Anaphase","Regulation of PTEN stability and activity","Signalling to ERK5","FGFR2 mutant receptor activation","VEGF binds to VEGFR leading to receptor dimerization","SMAD2/3 Phosphor
ylation Motif Mutants in Cancer","Signaling by FGFR3 point mutants in cancer","IRS-mediated signalling","Regulation of TP53 Activity","Role of ABL in ROBO-SLIT signaling","EPHB-mediated forward signal
ing","Downstream signaling of activated FGFR4","FCGR3A-mediated phagocytosis","Sema4D mediated inhibition of cell attachment and migration","EGFR Transactivation by Gastrin","Signalling to RAS","Nef a
nd signal transduction","Sema4D induced cell migration and growth-cone collapse","Loss of proteins required for interphase microtubule organization from the centrosome","FCGR3A-mediated IL10 synthesis
","Signaling by activated point mutants of FGFR1","MAP kinase activation","Long-term potentiation","Separation of Sister Chromatids","Nef-mediates down modulation of cell surface receptors by recruiti
ng them to clathrin adapters","Prolonged ERK activation events","Activated point mutants of FGFR2","FGFR3 mutant receptor activation","PI3K Cascade","Regulation of TP53 Expression and Degradation","CR
EB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","FRS-mediated FGFR4 signaling","p38MAPK events","Loss of Nlp from mitotic centrosomes","activated TAK1 mediates p38 MAPK
 activation","Nef Mediated CD4 Down-regulation","MAPK targets/ Nuclear events mediated by MAP kinases","Frs2-mediated activation","Signaling by activated point mutants of FGFR3","Regulation of TP53 De
gradation","Ras activation upon Ca2+ influx through NMDA receptor","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{CSF1R,FLT1,FLT3,FLT4,KDR,KIT,PDGFRA,PDGFRB}

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

> <synonyms>
{Cediranib,288383-20-0,288383200,"288383 20 0",Recentin,AZD2171,Cedirannib,"Cediranib (AZD2171)","AZD 2171",AZD-2171,"Cediranib (AZD217)",UNII-NQU9IPY4K9,UNIINQU9IPY4K9,"UNII NQU9IPY4K9","Cediranib fr
ee base",NQU9IPY4K9,ZD-2171,ZD2171,"ZD 2171","AZD-2171 maleate","AZD2171 maleate","AZD 2171 maleate",CHEMBL491473,"288383-20-0 (free base)","288383200 (free base)","288383 20 0 (free base)",NSC-732208
,NSC732208,"NSC 732208",C25H27,T2500,S1017,cediranib,Cediranib(AZD2171),CEDIRANIB}

> <pdid>
PD003639

> <targets>
{VEGFR-PDGFR,"VEGFR Inhibitors"}

> <classes>
{}

> <pubchem_cids>
{9933475}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 30 34  0  0  0  0            999 V2000
    7.7858   -9.1806    0.0000 N   0  0
    6.3110   -8.9071    0.0000 C   0  0
    5.3370  -10.0479    0.0000 O   0  0
    5.8106   -7.4921    0.0000 C   0  0
    6.7829   -6.3499    0.0000 C   0  0
    6.2798   -4.9368    0.0000 C   0  0
    4.8092   -4.6676    0.0000 C   0  0
    3.8322   -5.8080    0.0000 C   0  0
    4.3352   -7.2212    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.7171    0.9385    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 12 19  2  0
 19 20  1  0
 20 10  2  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 29 30  2  0
 30 21  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13834

> <plate>
PLATE 002

> <well>
F4

> <supplier_cmpd_name>
D 4476

> <ctcr_id>
2337

> <supplier_cmpd_id>
T2449

> <smiles>
NC(=O)c1ccc(cc1)c2[nH]c(c3ccccn3)c(n2)c4ccc5OCCOc5c4

> <pd_targets>
{CSNK1A1,CSNK1D,MAPK14,CKA1,CSNK1E,PRKD1,CSNK1G1,CSNK1G2,TGFBR1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CK1 protein kinase group","CMGC protein kinase group","CAMK protein kinase group","TKL protein kinase group","CK1 protein kinase CK1 family","CMGC protein kinase MAPK 
family","CMGC protein kinase CK subfamily","CAMK protein kinase PKD family","TKL protein kinase STKR family","CMGC protein kinase p38 subfamily","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CK1: Casein kinase 1","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","Receptor ki
nases","Casein kinase 1 (CK1) family","Mitogen-activated protein kinases (MAP kinases)","Protein kinase D (PKD) family","TKL: Tyrosine kinase-like","p38 subfamily","Receptor serine/threonine kinase (R
STK) family","Type I receptor serine/threonine kinases"}

> <pathway_reactome>
{Disease,"Cell Cycle","Immune System",Metabolism,"Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"Innate Immune System","Metabolism of lipids","Signaling by 
WNT in cancer","Mitotic G2-G2/M phases","Toll-like Receptor Cascades","Sphingolipid metabolism","Signaling by TGF-beta Receptor Complex in Cancer","Signaling by AMER1 mutants","G2/M Transition","Toll 
Like Receptor 5 (TLR5) Cascade","Sphingolipid de novo biosynthesis","Loss of Function of SMAD2/3 in Cancer","Truncations of AMER1 destabilize the destruction complex","Centrosome maturation","MyD88 ca
scade initiated on plasma membrane","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Loss of proteins required for interphase microtubule organization from the centrosome","MAP kinase activation","L
oss of Nlp from mitotic centrosomes","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{301836-43-1,301836431,D4476,"CK1 Inhibitor","casein kinase I inhibitor","D 4476",D-4476,"Casein Kinase I Inhibitor, D4476",CHEMBL410456,C23H18N4O3,K00227,MLS006010815,SCHEMBL373737,"InSolution&trade;
 Casein Kinase I Inhibitor, D4476",GTPL5940,SCHEMBL22857113,T2449,"EMD 218696",SY-D4476,2902,218696}

> <pdid>
PD012959

> <targets>
{"Casein Kinase 1",CK1}

> <classes>
{}

> <pubchem_cids>
{6419753}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 O   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0897    3.7657    0.0000 N   0  0
  -10.3910    3.0180    0.0000 C   0  0
  -10.3936    1.5180    0.0000 O   0  0
  -11.6897    3.7702    0.0000 N   0  0
  -12.9910    3.0224    0.0000 C   0  0
  -12.9910    1.5223    0.0000 C   0  0
  -14.2901    0.7723    0.0000 C   0  0
  -15.5891    1.5223    0.0000 C   0  0
  -16.8882    0.7723    0.0000 F   0  0
  -15.5891    3.0223    0.0000 C   0  0
  -14.2901    3.7723    0.0000 C   0  0
  -14.2901    5.2723    0.0000 F   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 F   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 19  1  0
 25 26  1  0
 14 27  1  0
 27 28  1  0
 27 29  2  0
 29 11  1  0
  9 30  2  0
 30  5  1  0
 30 31  1  0
 31 32  2  0
 32  3  1  0
 32 33  1  0
 33 34  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13835

> <plate>
PLATE 002

> <well>
F5

> <supplier_cmpd_name>
KI8751

> <ctcr_id>
4784

> <supplier_cmpd_id>
T2446

> <smiles>
COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC

> <pd_targets>
{KDR,FGFR2,KIT,PDGFRA,RORC}

> <pathway_gtopdb>
{Enzyme,"Transcription factor",Kinase,"Nuclear receptor","Protein Kinase","Nuclear hormone receptor subfamily 1","TK protein kinase group","Nuclear hormone receptor subfamily 1 group F","Tyrosine prot
ein kinase VEGFR family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase PDGFR family","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Nuclear hormone receptors","Receptor kinases","1F. Retinoic acid-related orphans","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type IV RTKs: VEGF (vascul
ar endothelial growth factor) receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polyme
rase II Transcription","Signaling by VEGF","Signaling by FGFR in disease","Signaling by KIT in disease","Signaling by PDGFR in disease","Generic Transcription Pathway","VEGFA-VEGFR2 Pathway","Signalin
g by FGFR2 in disease","Drug resistance of KIT mutants","Drug resistance of PDGFR mutants","Transcriptional regulation by RUNX3","VEGFR2 mediated cell proliferation","FGFR2 mutant receptor activation"
,"Dasatinib-resistant KIT mutants","Imatinib-resistant PDGFR mutants","RUNX3 Regulates Immune Response and Cell Migration","Activated point mutants of FGFR2"}

> <broad_targets>
{KDR}

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

> <synonyms>
{Ki8751,228559-41-9,228559419,"Ki 8751",Ki-8751,CHEMBL178455,C24H18F3N3O4,cc-604,cc604,MLS006011284,SCHEMBL1249562,CHEBI:92822,TERT-BUTYL2-BROMOBUTYRATE,TERTBUTYL2BROMOBUTYRATE,AOB6619,DTXSID60462145,
EX-A227,EXA227,HMS3269O17,HMS3413F19,HMS3654B19,HMS3677F19,BCP02842,ZINC1490414,ABP001020,BDB,T2446,S1363,2542,KI8751}

> <pdid>
PD003649

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

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{11317348}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 24 28  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 N   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.6929   -4.0817    0.0000 C   0  0
    0.3385   -5.5341    0.0000 C   0  0
    1.4233   -6.5700    0.0000 N   0  0
    2.8629   -6.1484    0.0000 C   0  0
    4.1386   -6.9360    0.0000 N   0  0
    5.2822   -5.9653    0.0000 C   0  0
    4.7125   -4.5777    0.0000 C   0  0
    3.2176   -4.6910    0.0000 C   0  0
    2.1327   -3.6551    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -3.8813   -1.4408    0.0000 C   0  0
   -4.5721   -0.1292    0.0000 C   0  0
   -6.0471   -0.4022    0.0000 C   0  0
   -6.2433   -1.8893    0.0000 C   0  0
   -4.8896   -2.5354    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 13  1  0
 17 18  2  0
 18 10  1  0
  9 19  1  0
 19  2  1  0
 19  6  2  0
  7 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 20  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13836

> <plate>
PLATE 002

> <well>
F6

> <supplier_cmpd_name>
PP121

> <ctcr_id>
6342

> <supplier_cmpd_id>
T2415

> <smiles>
Nc1ncnc2n(nc(c3cnc4[nH]ccc4c3)c12)C5CCCC5

> <pd_targets>
{CSF1R,PIK3CD,PDGFRA,PIK3CB,ABL1,EPHB4,MARK3,JAK2,PAK4,PRKACA,PRKD3,BCR,DAPK3,MTOR,HCK,KDR,LTK,MAP2K2,MAPK14,ROCK2,FYN,LCK,MAP4K2,MST1R,PI4KB,PIK3CG,MAPK8,PIK3CA,EGFR,LIMK1,CDK5,ACVR1,CLK4,ATR,PDGFRB,
PRKDC,SRC,FLT1,GSK3A,MAP4K4,MAP4K5,ROCK1,IKBKE,ALK,IGF1R,MAP2K1,TYRO3,LRRK2,RET,BTK,TNK2,PTK2,PRKCQ,PRKAA1,FGFR1,CLK2,CSNK1A1,TAOK1,MAPK9,CDK8}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","TK protein kinase group","CAMK protein kinase group","STE protein kinase group","AGC protein kinase group","Atypical protein kinase group","CMGC protein ki
nase group","TKL protein kinase group","Other protein kinase group","CK1 protein kinase group","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Eph 
family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase JakA family","STE protein kinase STE20 family","AGC protein kinase PKA family","CAMK protein kinase PKD family","Atypical protein ki
nase BCR family","CAMK protein kinase DAPK family","Atypical protein kinase PIKK family","Tyrosine protein kinase Src family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Alk family
","STE protein kinase STE7 family","CMGC protein kinase MAPK family","AGC protein kinase DMPK family","Tyrosine protein kinase Met family","Tyrosine protein kinase EGFR family","TKL protein kinase LIS
K family","CMGC protein kinase CDK family","TKL protein kinase STKR family","CMGC protein kinase CLK family","CMGC protein kinase GSK family","Tyrosine protein kinase InsR family","Tyrosine protein ki
nase Axl family","TKL protein kinase LRRK family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Fak family","A
GC protein kinase PKC family","Tyrosine protein kinase FGFR family","CK1 protein kinase CK1 family","CAMK protein kinase MARK subfamily","STE protein kinase PAKB subfamily","Atypical protein kinase FR
AP subfamily","CMGC protein kinase p38 subfamily","AGC protein kinase ROCK subfamily","Tyrosine protein kinase SrcA","STE protein kinase KHS subfamily","CMGC protein kinase JNK subfamily","TKL protein
 kinase LIMK subfamily","CMGC protein kinase CDK5 subfamily","TKL protein kinase STKR1","STE protein kinase MSN subfamily","TKL protein kinase STKR Type 1 subfamily","AGC protein kinase PKC delta subf
amily","CAMK protein kinase AMPK subfamily","STE protein kinase TAO subfamily","CMGC protein kinase CDK8 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","Lipid modifying kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","St
erile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families",Atypical,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","TK: Tyrosine kinase",Phosphatidylinositol-4,"5-
bisphosphate 3-kinase family","CAMK-like (CAMKL) family","STE20 family","Protein kinase A (PKA) family","Protein kinase D (PKD) family","Death-associated kinase (DAPK) family","Phosphatidyl inositol 3
' kinase-related kinases (PIKK) family","STE7 family","Mitogen-activated protein kinases (MAP kinases)","DMPK family","1-phosphatidylinositol 4-kinase family","TKL: Tyrosine kinase-like","Cyclin-depen
dent kinase (CDK) family","CLK family","Glycogen synthase kinase (GSK) family","Other protein kinases","Protein kinase C (PKC) family","Casein kinase 1 (CK1) family","Receptor tyrosine kinases (RTKs)"
,"Non-receptor tyrosine kinases (nRTKs)","MARK subfamily","PAKB subfamily","FRAP subfamily","p38 subfamily","Rho kinase","KHS subfamily","JNK subfamily","LIM domain kinase (LISK) family","CDK5 subfami
ly","Receptor serine/threonine kinase (RSTK) family","ATR subfamily","Other PIKK family kinases","GSK subfamily","MSN subfamily","IKK family","Leucine-rich repeat kinase (LRRK) family","Delta subfamil
y","AMPK subfamily","TAO subfamily","CDK8 subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Abl family","Type XIII RTKs: Ephrin receptor family","Janus kinase (JakA) family","Src fami
ly","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor fam
ily","Type I RTKs: ErbB (epidermal growth factor) receptor family","LIMK subfamily","Type I receptor serine/threonine kinases","Type II RTKs: Insulin receptor family","Type XI RTKs: TAM (TYRO3-","AXL-
 and MER-TK) receptor family","Type XIV RTKs: RET","Tec family","Ack family","Fak family","Type V RTKs: FGF (fibroblast growth factor) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System",Disease,"Signal Transduction","Developmental Biology","Cell Cycle",Metabolism,"Programmed Cell Death","DNA Repair","Cellular responses to external st
imuli","RNA Polymerase II Transcription","Cytokine Signaling in Immune system","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinase
s","Infectious disease","Nervous system development",Mitotic,"Metabolism of lipids",Apoptosis,"Innate Immune System","Signaling by GPCR","DNA Double-Strand Break Repair","Intracellular signaling by se
cond messengers","Cellular responses to stress","Signaling by Non-Receptor Tyrosine Kinases","Generic Transcription Pathway","Signaling by Interleukins","Signaling by PDGFR in disease","Signaling by I
nsulin receptor","Leishmania infection","Axon guidance","Oncogenic MAPK signaling","Mitotic G1 phase and G1/S transition","Mitotic G2-G2/M phases","Sphingolipid metabolism","Caspase activation via ext
rinsic apoptotic signalling pathway","HIV Infection","Signaling by VEGF","Signaling by NTRKs","Toll-like Receptor Cascades","Signaling by MST1","Phospholipid metabolism","Signaling by FGFR in disease"
,"GPCR downstream signalling","Homology Directed Repair","PIP3 activates AKT signaling","Cytosolic sensors of pathogen-associated DNA","SARS-CoV Infections","Cellular Senescence","Signaling by Type 1 
Insulin-like Growth Factor 1 Receptor (IGF1R)","Signaling by PTK6","Signaling by WNT in cancer","M Phase","Signaling by NOTCH1 in Cancer","Transcriptional Regulation by VENTX",Interleukin-3,"Interleuk
in-5 and GM-CSF signaling","Drug resistance of PDGFR mutants","Insulin receptor signalling cascade","Parasite infection","EPH-Ephrin signaling","Signaling by RAS mutants","G1 Phase","Signaling by ROBO
 receptors","G2/M Transition","Sphingolipid de novo biosynthesis","Caspase activation via Dependence Receptors in the absence of ligand","Transcriptional Regulation by TP53","Host Interactions of HIV 
factors","VEGFA-VEGFR2 Pathway","Signaling by NTRK1 (TRKA)","Toll Like Receptor 5 (TLR5) Cascade","Semaphorin interactions","PI Metabolism","Signaling by FGFR1 in disease","G alpha (q) signalling even
ts","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Negative regulation of the PI3K/AKT network","STING mediated induction of host immune responses","VEGF ligand-recepto
r interactions","SARS-CoV-1 Infection","Oxidative Stress Induced Senescence","Toll Like Receptor 4 (TLR4) Cascade","IGF1R signaling cascade","PTK6 promotes HIF1A stabilization","RET signaling","G alph
a (i) signalling events","Signaling by AMER1 mutants","Mitotic Metaphase and Anaphase","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","Interleukin receptor SHC signaling","Imatinib-resistant P
DGFR mutants","IRS-mediated signalling","Leishmania phagocytosis","EPHB-mediated forward signaling","Signaling downstream of RAS mutants","Cyclin D associated events in G1","Activation of RAC1","Centr
osome maturation","Regulation of TP53 Activity","The role of Nef in HIV-1 replication and disease pathogenesis","VEGFR2 mediated cell proliferation","Signalling to ERKs","MyD88 cascade initiated on pl
asma membrane","Sema4D in semaphorin signaling","Synthesis of PIPs at the Golgi membrane","Synthesis of PIPs at the plasma membrane","FGFR1 mutant receptor activation","Gastrin-CREB signalling pathway
 via PKC and MAPK","HDR through Homologous Recombination (HRR)",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","IRF3-mediated induction of type I IFN","VEGF binds to VEGFR leading to receptor dimeri
zation","SARS-CoV-1 Genome Replication and Transcription","MyD88-independent TLR4 cascade","IRS-related events triggered by IGF1R","Visual phototransduction","Truncations of AMER1 destabilize the dest
ruction complex","Mitotic Anaphase","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","PI3K Cascade","FCGR3A-mediated phagocytosis","Loss of proteins required for interphase microtubule organi
zation from the centrosome","Regulation of TP53 Expression and Degradation","Nef and signal transduction","Prolonged ERK activation events","MAP kinase activation","Sema4D induced cell migration and g
rowth-cone collapse","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Signaling by cytosolic FGFR1 fusion mutants","EGFR Transactivation by Gastrin","R
egulation of TP53 Activity through Phosphorylation","Homologous DNA Pairing and Strand Exchange","Signalling to RAS","Replication of the SARS-CoV-1 genome","TRIF(TICAM1)-mediated TLR4 signaling","The 
phototransduction cascade","Signaling by activated point mutants of FGFR1","Separation of Sister Chromatids","Loss of Nlp from mitotic centrosomes","Regulation of TP53 Degradation","Frs2-mediated acti
vation","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","Presynaptic phase of homologous DNA pairing and strand exchange","p38MAPK events","Activation of IRF3
/IRF7 mediated by TBK1/IKK epsilon",Inactivation,"recovery and regulation of the phototransduction cascade","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{ABL1,EGFR,HCK,KDR,MTOR,PDGFRA,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PRKDC,SRC}

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

> <synonyms>
{PP121,1092788-83-4,1092788834,PP-121,"PP 121",CHEMBL1081312,UNII-5B9VB06146,UNII5B9VB06146,CHEBI:50915,5B9VB06146,KS1,Kinome_2001,Kinome2001,Kinome-2001,"Kinome 2001",B2172,cc-496,cc496,MLS006010957,
pp121/pp-121,pp121/pp121,GTPL8013,SCHEMBL12265009,AOB4424,DTXSID00648002,HMS3656D05,BCP02256,C17H17N7,EX-A2139,EXA2139,ABP000938,BDBM503136,T2415,S2622,Pp121}

> <pdid>
PD005215

> <targets>
{DNA-PK,mTOR,PDGF,"PI3K AND TKI",Apoptosis,PDGFR,Src,VEGFR}

> <classes>
{Apoptosis,PI3K/Akt/mTOR,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{24905142}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 18 20  0  0  0  0            999 V2000
    2.4192   -8.3243    0.0000 C   0  0
    1.2028   -7.4466    0.0000 C   0  0
    1.1979   -5.9466    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    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
   -1.1079   -6.7042    0.0000 C   0  0
   -2.6079   -6.7003    0.0000 C   0  0
   -0.2222   -7.9149    0.0000 C   0  0
  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  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  2  0
 16 17  1  0
 16 18  1  0
 18  2  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13837

> <plate>
PLATE 002

> <well>
F7

> <supplier_cmpd_name>
Semaxanib

> <ctcr_id>
1850

> <supplier_cmpd_id>
T2496

> <smiles>
Cc1[nH]c(C=C2C(=O)Nc3ccccc23)c(C)c1

> <pd_targets>
{KDR,FLT1,PDGFRB,ALK,FLT4,PDGFRA,FGFR1,MAPT,KMT2A,MEN1,GMNN,FLT3,SRC,BLM,USP2,KIT,EGFR,AVPR1A,LMNA,MAPK1,FGFR2,FGFR3,FGFR4,ABL1,CSF1R,PMP22,FFP,RECQL,NPC1,NPSR1,OXTR,MTOR,RET,ZAP70,PLK4,FRK,RPS6KA3,MA
P4K4,JAK2,STK3,SGK2,AURKA,CSNK1D,JAK3,FER,STK17A,MARK3,ITK,INSR,CAMK2D,RPS6KB1,LCK,CAMK2B,NTRK2,MAP4K5,CSNK1G2,AURKB,TYK2,CSNK1A1,PRKD3,CHEK2,MARK2,CAMK1,FYN,CLK2,AXL,NTRK3,BRSK1,PRKD2,SLK,LYN,NTRK1,M
INK1,BLK,ROCK1,IRAK4,CLK4,SYK,CAMK2G,CSNK1G3,PHKG2,IRAK1,MAP4K2,PTK2B,PKN2,PDPK1}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator","Unclassified protein","Membrane receptor","Other nuclear protein",Transporter,Kinase,Reader,Protease,"Family A G protein-coupled receptor",Tra
nsferase,"Protein Kinase",Bromodomain,"Cysteine protease","Peptide receptor (family A GPCR)","TK protein kinase group","TKL protein kinase group","Cysteine protease CA clan","Short peptide receptor (f
amily A GPCR)","CMGC protein kinase group","Atypical protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","TKL protein kinase STKR family","Tyrosine prot
ein kinase FGFR family","Tyrosine protein kinase Src family","Cysteine protease C19 family","Tyrosine protein kinase EGFR family","Vasopressin and oxytocin receptor","CMGC protein kinase MAPK family",
"Tyrosine protein kinase Abl family","Cysteine protease C1A family","Neuropeptide receptor","Atypical protein kinase PIKK family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Syk fami
ly","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily","Other protein kinase group","AGC protein kinase group","STE protein kinase group","C
K1 protein kinase group","CAMK protein kinase group","Other protein kinase PLK family","AGC protein kinase RSK family","STE protein kinase STE20 family","Tyrosine protein kinase JakA family","AGC prot
ein kinase SGK family","Other protein kinase AUR family","CK1 protein kinase CK1 family","Tyrosine protein kinase Fer family","CAMK protein kinase DAPK family","CAMK protein kinase CAMK1 family","Tyro
sine protein kinase Tec family","Tyrosine protein kinase InsR family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase Trk family","CAMK protein kinase PKD family","CAMK protein kinase RAD5
3 family","CMGC protein kinase CLK family","Tyrosine protein kinase Axl family","AGC protein kinase DMPK family","TKL protein kinase IRAK family","CAMK protein kinase PHk family","Tyrosine protein kin
ase Fak family","AGC protein kinase PKN family","AGC protein kinase PDK1 subfamily","AGC protein kinase RSK subfamily","STE protein kinase MSN subfamily","STE protein kinase MST subfamily","CAMK prote
in kinase MARK subfamily","AGC protein kinase p70 subfamily","STE protein kinase KHS subfamily","Tyrosine protein kinase SrcA","CAMK protein kinase BRSK subfamily","STE protein kinase SLK subfamily","
AGC protein kinase ROCK subfamily","CK1 protein kinase CK1-g"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Catalytic receptors","Chromatin modifying enzymes","Peptidases and proteinases","G protein-coupled receptors","Kinases (EC 2.7.x.x)","SLC superfamily of solute carrier
s","Receptor kinases","2.1.1.43 Histone methyltransferases (HMTs)","CA: Cysteine (C) Peptidases","Vasopressin and oxytocin receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLC65 NPC-type ch
olesterol transporters","Neuropeptide S receptor",Atypical,"TK: Tyrosine kinase","C19: Ubiquitin-specific protease","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-r
elated kinases (PIKK) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","ERK subfamily","FRAP subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) recep
tor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Src f
amily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Abl family","Type XIV RTKs: RET","Syk family","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile
 11","Sterile 20 kinases","CK1: Casein kinase 1","CAMK: Calcium/calmodulin-dependent protein kinases","Other protein kinases","RSK family","STE20 family","SGK family","Casein kinase 1 (CK1) family","D
eath-associated kinase (DAPK) family","CAMK-like (CAMKL) family","CAMK2 family","Protein kinase D (PKD) family","CAMK1 family","CLK family","DMPK family","TKL: Tyrosine kinase-like","Phosphorylase kin
ase (PHK) family","Protein kinase N (PKN) family","PDK1 family","Polo-like kinase (PLK) family","RSK subfamily","MSN subfamily","MST subfamily","Aurora kinase (Aur) family","MARK subfamily","p70 subfa
mily","KHS subfamily","CHK1 subfamily","BRSK subfamily","SLK subfamily","Rho kinase","Interleukin-1 receptor-associated kinase (IRAK) family","Janus kinase (JakA) family","Fer family","Tec family","Ty
pe II RTKs: Insulin receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Fak family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Neuronal System","Cell Cycle","Gene expression (Transcription)","DNA Repair","Immune System","Developmental Biology","Transport of small molecules","Signaling by Recept
or Tyrosine Kinases","Intracellular signaling by second messengers","Diseases of signal transduction by growth factor receptors and second messengers","Transmission across Chemical Synapses",Mitotic,"
RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Signaling by GPCR","Innate Immune System","Infectious disease","Nervous system development","Plasma lipoprotein assembly",remodeling,
"and clearance","Adaptive Immune System","Signaling by VEGF","PIP3 activates AKT signaling","Signaling by PDGFR in disease","Signaling by FGFR in disease","Neurotransmitter receptors and postsynaptic 
signal transmission","Mitotic G1 phase and G1/S transition","Signaling by Insulin receptor","Signaling by NTRKs","Generic Transcription Pathway","Homology Directed Repair","Signaling by KIT in disease
","GPCR downstream signalling","GPCR ligand binding","M Phase","Toll-like Receptor Cascades","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Plasma lipoprotein
 clearance","Axon guidance","TCR signaling","VEGFA-VEGFR2 Pathway","VEGF ligand-receptor interactions","Negative regulation of the PI3K/AKT network","Drug resistance of PDGFR mutants","Signaling by FG
FR1 in disease","Activation of NMDA receptors and postsynaptic events","G1/S Transition","Insulin receptor signalling cascade","Signaling by NTRK1 (TRKA)","Transcriptional regulation by RUNX1","HDR th
rough Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by TP53","Drug resistance of KIT mutants","G alpha (q) signalling events","Class A/1 (Rhodopsin-like 
receptors)","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Parasite infection","Transcriptional Regulation by VENTX","LDL clearance","Leishmania parasite growth and survival",
"RET signaling","Generation of second messenger molecules","VEGFR2 mediated cell proliferation","VEGF binds to VEGFR leading to receptor dimerization",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling",
"Imatinib-resistant PDGFR mutants","FGFR1 mutant receptor activation","Post NMDA receptor activation events","Activation of the pre-replicative complex","IRS-mediated signalling","Signalling to ERKs",
"RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","HDR through Homologous Recombination (HRR)","Regulation of TP53 Activity","Dasatinib-resistant KIT mutants","Ga
strin-CREB signalling pathway via PKC and MAPK","Peptide ligand-binding receptors","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Leishmania phagocytosis","Anti-inflammatory response
 favouring Leishmania parasite infection","Signaling by activated point mutants of FGFR1","Activation of AMPK downstream of NMDARs","PI3K Cascade","Signalling to RAS","Homologous DNA Pairing and Stran
d Exchange","Regulation of TP53 Expression and Degradation","EGFR Transactivation by Gastrin","Vasopressin-like receptors","Nuclear Envelope (NE) Reassembly","MAP kinase activation","FCGR3A-mediated p
hagocytosis","ADORA2B mediated anti-inflammatory cytokines production","p38MAPK events","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","Initiation o
f Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated","Cellular responses to external stimuli",Metabolism,"Cellular resp
onses to stress","Signaling by Hippo","Ion channel transport","Cytokine Signaling in Immune system","MTOR signalling","Metabolism of lipids","Metabolism of carbohydrates","Signaling by Rho GTPases","M
itotic G2-G2/M phases","Cellular Senescence","Stimuli-sensing channels","Signaling by Interleukins","Signaling by SCF-KIT","Oncogenic MAPK signaling","mTORC1-mediated signalling","HIV Infection","Sphi
ngolipid metabolism","Interferon Signaling","Signaling by WNT in cancer","Glycogen metabolism","RHO GTPase Effectors","G2/M Transition","PTEN Regulation","Oxidative Stress Induced Senescence","G1 Phas
e","Interleukin-2 family signaling","Signaling by RAS mutants","Host Interactions of HIV factors","Sphingolipid de novo biosynthesis","Interferon alpha/beta signaling","Signaling by AMER1 mutants","Si
gnaling by NTRK3 (TRKC)","Semaphorin interactions","Toll Like Receptor 2 (TLR2) Cascade","Signaling by FGFR3 in disease","Glycogen breakdown (glycogenolysis)","RHO GTPases activate PKNs","Centrosome m
aturation","Regulation of PTEN stability and activity","Cyclin D associated events in G1","Interleukin-15 signaling","Signaling downstream of RAS mutants","The role of Nef in HIV-1 replication and dis
ease pathogenesis","Activation of TRKA receptors","Regulation of IFNA signaling","Truncations of AMER1 destabilize the destruction complex","Activated NTRK3 signals through PI3K","RUNX1 regulates tran
scription of genes involved in BCR signaling","Sema4D in semaphorin signaling","Toll Like Receptor TLR6:TLR2 Cascade","Signaling by FGFR3 point mutants in cancer","Interleukin-2 signaling","Loss of pr
oteins required for interphase microtubule organization from the centrosome","Regulation of TP53 Activity through Phosphorylation","CREB1 phosphorylation through NMDA receptor-mediated activation of R
AS signaling","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","NGF-independant TRKA activation","Separation of Sister Chromatids","Activation of RAC1 d
ownstream of NMDARs","Nef and signal transduction","FCGR3A-mediated IL10 synthesis","Prolonged ERK activation events","Sema4D induced cell migration and growth-cone collapse","MyD88:MAL(TIRAP) cascade
 initiated on plasma membrane","FGFR3 mutant receptor activation","Loss of Nlp from mitotic centrosomes","Ras activation upon Ca2+ influx through NMDA receptor","Nef Mediated CD4 Down-regulation","ARM
S-mediated activation","Signaling by activated point mutants of FGFR3","activated TAK1 mediates p38 MAPK activation","CREB phosphorylation"}

> <broad_targets>
{FGFR1,FLT1,KDR,KIT,PDGFRA,PDGFRB,RET}

> <broad_moa>
{"VEGFR inhibitor"}

> <synonyms>
{"3-((3,5-dimethyl-1H-pyrrol-2-yl)methylidene)-1H-indol-2-one","3((3,5dimethyl1Hpyrrol2yl)methylidene)1Hindol2one",194413-58-6,194413586,DSSTox_CID_21132,DSSToxCID21132,DSSTox-CID-21132,"DSSTox CID 21
132",DSSTox_RID_79631,DSSToxRID79631,DSSTox-RID-79631,"DSSTox RID 79631",DSSTox_GSID_41132,DSSToxGSID41132,DSSTox-GSID-41132,"DSSTox GSID 41132",CAS-204005-46-9,CAS204005469,"2H-Indol-2-one, 3-((3,5-d
imethyl-1H-pyrrol-2-yl)methylene)-1,3-dihydro-","2HIndol2one, 3((3,5dimethyl1Hpyrrol2yl)methylene)1,3dihydro",NCGC00094381-03,NCGC0009438103,Kinome_2848,Kinome2848,Kinome-2848,"Kinome 2848",S,T2064,T2
496,"EMD 676487",3037,Semaxinib,Semaxanib,676487,"SU 5416"}

> <pdid>
PD002610

> <targets>
{VEGFR}

> <classes>
{}

> <pubchem_cids>
{123015}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13838

> <plate>
PLATE 002

> <well>
F8

> <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_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 36 39  0  0  0  0            999 V2000
    3.8926   -3.7566    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 C   0  0
    3.8976    0.7554    0.0000 O   0  0
    2.5951    3.0039    0.0000 N   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8933    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    6.4914    5.2571    0.0000 C   0  0
    7.7896    6.0103    0.0000 O   0  0
    7.7874    7.5111    0.0000 C   0  0
    6.4858    8.2566    0.0000 C   0  0
    6.4805    9.7566    0.0000 C   0  0
    7.7770   10.5112    0.0000 N   0  0
    9.0786    9.7657    0.0000 C   0  0
   10.3750   10.5202    0.0000 N   0  0
    9.0838    8.2657    0.0000 C   0  0
   10.3855    7.5203    0.0000 Cl  0  0
    6.4915    3.7571    0.0000 C   0  0
    7.7905    3.0072    0.0000 F   0  0
    5.1925    3.0071    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -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 F   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 14  1  0
 20 21  1  0
 12 22  1  0
 22 23  1  0
 22 24  2  0
 24  9  1  0
  5 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  2  3
 29  4  1  0
 27 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_L2200_Tyrosine kinase inhibitor library

> <id>
13839

> <plate>
PLATE 002

> <well>
F9

> <supplier_cmpd_name>
BMS-777607

> <ctcr_id>
6140

> <supplier_cmpd_id>
T2699

> <smiles>
CCOC1=C(C(=O)Nc2ccc(Oc3ccnc(N)c3Cl)c(F)c2)C(=O)N(C=C1)c4ccc(F)cc4

> <pd_targets>
{PDGFRA,AXL,FLT3,MET,KDR,KIT,MERTK,TYRO3,LCK,MST1R,NTRK2,RET,NTRK1,AURKB}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Other protein kinases","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Aurora kinase (Aur) family
","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type IV RTKs: VEG
F (vascular endothelial growth factor) receptor family","Src family","Type VII RTKs: Neurotrophin receptor/Trk family","Type XIV RTKs: RET"}

> <pathway_reactome>
{Disease,"Signal Transduction","Developmental Biology",Hemostasis,"Cell Cycle","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinase
s","Nervous system development","Cell surface interactions at the vascular wall","Infectious disease",Mitotic,"Signaling by PDGFR in disease","Signaling by VEGF","Signaling by Insulin receptor","Axon 
guidance","Signaling by KIT in disease","HIV Infection","Signaling by MST1","Signaling by NTRKs","M Phase","Drug resistance of PDGFR mutants","VEGFA-VEGFR2 Pathway","Insulin receptor signalling cascad
e","Semaphorin interactions","Drug resistance of KIT mutants","Host Interactions of HIV factors","Signaling by NTRK1 (TRKA)","RET signaling","Mitotic Metaphase and Anaphase","Imatinib-resistant PDGFR 
mutants","IRS-mediated signalling","Sema4D in semaphorin signaling","VEGFR2 mediated cell proliferation","Dasatinib-resistant KIT mutants","The role of Nef in HIV-1 replication and disease pathogenesi
s","Activation of TRKA receptors","Signalling to ERKs","Mitotic Anaphase","PI3K Cascade","Sema4D mediated inhibition of cell attachment and migration","Nef-mediates down modulation of cell surface rec
eptors by recruiting them to clathrin adapters","NGF-independant TRKA activation","Prolonged ERK activation events","Separation of Sister Chromatids","Nef Mediated CD4 Down-regulation","ARMS-mediated 
activation"}

> <broad_targets>
{AXL,MERTK,MET,MST1R,TYRO3}

> <broad_moa>
{"AXL kinase inhibitor","c-Met inhibitor","FLT3 inhibitor","hepatocyte growth factor receptor inhibitor","macrophage migration inhibiting factor inhibitor","tyrosine kinase inhibitor"}

> <synonyms>
{BMS-777607,BMS777607,1025720-94-8,1025720948,"BMS 777607",1196681-44-3,1196681443,ASLAN-002,ASLAN002,UNII-A3MMS6HDO1,UNIIA3MMS6HDO1,A3MMS6HDO1,"BMS 817378",BMS777606,cc-417,cc417,MLS006010958,C25H19C
lF2N4O4,CHEMBL460702,GTPL7953,SCHEMBL2588311,BDBM28031,CHEBI:91409,DTXSID50145278,EX-A,EXA,T2699,S1561}

> <pdid>
PD010971

> <targets>
{MEK,Axl,c-Met}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{24794418}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
   -3.5810   -8.6421    0.0000 C   0  0
   -3.9405   -7.1859    0.0000 O   0  0
   -2.8592   -6.1451    0.0000 C   0  0
   -3.2168   -4.6883    0.0000 C   0  0
   -4.6570   -4.2663    0.0000 N   0  0
   -5.7433   -5.3019    0.0000 C   0  0
   -5.3927   -6.7604    0.0000 N   0  0
   -6.4805   -7.7932    0.0000 C   0  0
   -7.9189   -7.3675    0.0000 C   0  0
   -9.0070   -8.4000    0.0000 Cl  0  0
   -8.2674   -5.9137    0.0000 C   0  0
   -7.1816   -4.8762    0.0000 N   0  0
   -9.6703   -5.3807    0.0000 C   0  0
  -10.9256   -6.2019    0.0000 C   0  0
  -12.0945   -5.2619    0.0000 N   0  0
  -11.5617   -3.8605    0.0000 C   0  0
  -12.2472   -2.5263    0.0000 C   0  0
  -11.4344   -1.2656    0.0000 C   0  0
   -9.9362   -1.3390    0.0000 C   0  0
   -9.2508   -2.6732    0.0000 C   0  0
  -10.0635   -3.9340    0.0000 C   0  0
   -2.1338   -3.6503    0.0000 C   0  0
   -0.6934   -4.0692    0.0000 C   0  0
    0.3879   -3.0284    0.0000 N   0  0
    0.0282   -1.5713    0.0000 C   0  0
   -1.4128   -1.1550    0.0000 O   0  0
    1.1096   -0.5306    0.0000 C   0  0
    0.7501    0.9257    0.0000 C   0  0
   -0.3360   -5.5260    0.0000 C   0  0
   -1.4189   -6.5639    0.0000 C   0  0
    1.1043   -5.9480    0.0000 N   0  0
    2.1890   -4.9120    0.0000 C   0  0
    1.4598   -7.4061    0.0000 C   0  0
    2.9001   -7.8282    0.0000 C   0  0
    3.2557   -9.2863    0.0000 N   0  0
    4.6951   -9.7081    0.0000 C   0  0
    2.1710  -10.3223    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 13  1  0
 21 16  1  0
  4 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  2  0
 23 29  1  0
 29 30  2  0
 30  3  1  0
 29 31  1  0
 31 32  1  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 35 37  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13840

> <plate>
PLATE 002

> <well>
F10

> <supplier_cmpd_name>
Mutant EGFR inhibitor

> <ctcr_id>
11524

> <supplier_cmpd_id>
T2705

> <smiles>
COc1c(Nc2ncc(Cl)c(n2)c2c[nH]c3ccccc23)cc(NC(=O)C=C)c(c1)N(C)CCN(C)C

> <pd_targets>
{KCNH2,IGF1R,EGFR,ERBB2,ERBB3,ERBB4}

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

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

> <pathway_reactome>
{"Muscle contraction","Signal Transduction","Cardiac conduction","Signaling by Receptor Tyrosine Kinases","Signaling by GPCR","Phase 3 - rapid repolarisation","Signaling by Type 1 Insulin-like Growth 
Factor 1 Receptor (IGF1R)","GPCR downstream signalling","IGF1R signaling cascade","G alpha (q) signalling events","IRS-related events triggered by IGF1R","Gastrin-CREB signalling pathway via PKC and M
APK","EGFR Transactivation by Gastrin"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Mutant EGFR inhibitor",1421373-62-7,1421373627,MDK3627,CHEMBL3353408,"utant EGFR inhibitor",SCHEMBL14663463,ABM-3627,ABM3627,BCP23941,EX-A2254,EXA2254,BDBM50029664,AKOS026750607,ZINC147068258,NCGC00
378578-01,NCGC0037857801,HY-13984,HY13984,"MDK3627; MDK 3627; MDK-3627","MDK3627; MDK 3627; MDK3627",T2705}

> <pdid>
PD056166

> <targets>
{"EGFR (mutant)"}

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

> <pubchem_cids>
{78357783}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    0.9513   -6.4982    0.0000 C   0  0
    1.8372   -5.2877    0.0000 C   0  0
    3.3372   -5.2929    0.0000 N   0  0
    3.8056   -3.8679    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.3786   -3.8595    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 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
   -3.8863   -5.2585    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -5.1954   -3.0153    0.0000 C   0  0
   -5.2033   -1.5153    0.0000 O   0  0
   -6.4915   -3.7721    0.0000 N   0  0
   -7.7954   -3.0289    0.0000 O   0  0
   -9.0907   -3.7853    0.0000 C   0  0
   -2.5981    1.5000    0.0000 Cl  0  0
    5.2295   -3.4020    0.0000 C   0  0
    6.3470   -4.4025    0.0000 C   0  0
    5.5377   -1.9340    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  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
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 11 26  1  0
  4 27  1  0
 27 28  1  0
 27 29  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13841

> <plate>
PLATE 002

> <well>
F11

> <supplier_cmpd_name>
GSK-2256098

> <ctcr_id>
13570

> <supplier_cmpd_id>
T2281

> <smiles>
Cc1nn(c(c1)Nc1ncc(c(c1)Nc1ccccc1C(=O)NOC)Cl)C(C)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"kinase inhibitor"}

> <synonyms>
{GSK2256098,1224887-10-8,GSK-2256098,GTPL7939,"GSK 2256098",SCHEMBL691518,UNII-R7O0O4110G,EX-A671,R7O0O4110G,AMY16729,BCP18311,NSC800999,s8523,AKOS030627136,ZINC114407258,CCG-268826,CS-6083,NSC-800999
,AC-29885,AK676296,AS-74894,HY-100498,Q27077884,T2281}

> <pdid>
PD048377

> <targets>
{FAK}

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

> <pubchem_cids>
{46214930}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 40 45  0  0  0  0            999 V2000
   10.0511  -14.7351    0.0000 C   0  0
    9.4065  -13.3807    0.0000 C   0  0
    7.9112  -13.2621    0.0000 C   0  0
    8.5560  -14.6162    0.0000 C   0  0
   10.2555  -12.1461    0.0000 C   0  0
   11.7550  -12.1072    0.0000 O   0  0
   12.1813  -10.6691    0.0000 N   0  0
   10.9460   -9.8410    0.0000 C   0  0
   10.9040   -8.3408    0.0000 N   0  0
    9.5842   -7.6262    0.0000 C   0  0
    8.3064   -8.4119    0.0000 O   0  0
    9.5422   -6.1260    0.0000 N   0  0
    8.2224   -5.4114    0.0000 C   0  0
    8.1783   -3.9120    0.0000 C   0  0
    6.8578   -3.2005    0.0000 C   0  0
    5.5861   -3.9865    0.0000 C   0  0
    5.6255   -5.4877    0.0000 C   0  0
    6.9460   -6.1992    0.0000 C   0  0
    4.2151   -3.3761    0.0000 C   0  0
    3.9032   -1.9089    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -9.0919   -0.7681    0.0000 O   0  0
   -7.7903   -1.5136    0.0000 C   0  0
   -6.4939   -0.7591    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 S   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.9160   -4.1261    0.0000 N   0  0
    9.7551  -10.7320    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 29  1  0
 25 35  1  0
 35 36  2  0
 36 22  1  0
 36 37  1  0
 37 38  1  0
 38 21  1  0
 38 39  2  0
 39 19  1  0
  8 40  1  0
 40  5  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13842

> <plate>
PLATE 002

> <well>
G2

> <supplier_cmpd_name>
Quizartinib

> <ctcr_id>
5565

> <supplier_cmpd_id>
T2066

> <smiles>
CC(C)(C)c1onc(NC(=O)Nc2ccc(cc2)c3cn4c5ccc(OCCN6CCOCC6)cc5sc4n3)c1

> <pd_targets>
{EPHA3,EPHA6,MKNK2,MAP3K7,PDGFRB,RET,MAPK15,FRK,HIPK4,STK10,NTRK2,FLT1,FLT3,KIT,PDGFRA,KDR,DDR1,MAP4K4,NTRK1,RIPK1,RIPK2,CSF1R,NTRK3,MAP3K19,EPHA7,SLK,ABL1,FLT4,MUSK,MYLK,LYN,DDR2,EPHB6,MAP4K5,TNIK,LC
K,MYLK3,TIE1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","TK protein kinase group","CAMK protein kinase group","TKL protein kinase group","CMGC protein kinase group","STE protein kinase group","Tyrosine
 protein kinase Eph family","CAMK protein kinase MAPKAPK family","TKL protein kinase MLK family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Ret family","CMGC protein kinase MAPK f
amily","Tyrosine protein kinase Src family","CMGC protein kinase DYRK family","STE protein kinase STE20 family","Tyrosine protein kinase Trk family","Tyrosine protein kinase VEGFR family","Tyrosine pr
otein kinase DDR family","TKL protein kinase RIPK family","STE protein kinase STE11 family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Musk family","CAMK protein kinase MLCK family"
,"Tyrosine protein kinase Tie family","CAMK protein kinase MNK subfamily","TKL protein kinase TAK1 subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase SLK subfamily","STE protein kinas
e MSN subfamily","STE protein kinase KHS subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs o
f yeast Sterile 7","Sterile 11","Sterile 20 kinases","TK: Tyrosine kinase","MAPK-Activated Protein Kinase (MAPKAPK) family","TKL: Tyrosine kinase-like","Mitogen-activated protein kinases (MAP kinases)
","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","STE20 family","Myosin Light Chain Kinase (MLCK) family","Receptor tyrosine kinases (RTKs)","MKN subfamily","Mixed Line
age Kinase (MLK) family","Erk7 subfamily","Non-receptor tyrosine kinases (nRTKs)","HIPK subfamily","SLK subfamily","MSN subfamily","Receptor interacting protein kinase (RIPK) family","STE20 subfamily"
,"KHS subfamily","Type XIII RTKs: Ephrin receptor family","TAK1 subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIV RTKs: RET","Src family","Type VII RTKs: Neurotrophin recepto
r/Trk family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type XVI RTKs: DDR (collagen receptor) family","Abl family","Type IX RTKs: MuSK","Type XII RTKs: TIE family of 
angiopoietin receptors"}

> <pathway_reactome>
{"Developmental Biology","Immune System","Signal Transduction",Disease,"Extracellular matrix organization","Cellular responses to external stimuli","Gene expression (Transcription)","Nervous system de
velopment","Innate Immune System","Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messeng
ers","Non-integrin membrane-ECM interactions","Cellular responses to stress","RNA Polymerase II Transcription","Infectious disease","ECM proteoglycans","Signaling by Rho GTPases","Axon guidance","Toll
-like Receptor Cascades","PIP3 activates AKT signaling","Neutrophil degranulation","Signaling by NTRKs","Signaling by VEGF","Signaling by Insulin receptor","Signaling by KIT in disease","Signaling by 
PDGFR in disease","Cellular Senescence","Generic Transcription Pathway","Leishmania infection","RHO GTPase Effectors","HIV Infection","EPH-Ephrin signaling","Toll Like Receptor 4 (TLR4) Cascade","Nega
tive regulation of the PI3K/AKT network","RET signaling","PTEN Regulation","Signaling by NTRK1 (TRKA)","VEGF ligand-receptor interactions","Insulin receptor signalling cascade","Drug resistance of KIT
 mutants","Drug resistance of PDGFR mutants","VEGFA-VEGFR2 Pathway","Oxidative Stress Induced Senescence","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional Regulation by VENTX","Signaling by NTRK
3 (TRKC)","Parasite infection","RHO GTPases activate PAKs","Leishmania parasite growth and survival","Host Interactions of HIV factors","EPHA-mediated growth cone collapse","MyD88-independent TLR4 cas
cade",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Regulation of PTEN stability and activity","Activation of TRKA receptors","VEGF binds to VEGFR leading to receptor dimerization","IRS-mediated s
ignalling","Dasatinib-resistant KIT mutants","Imatinib-resistant PDGFR mutants","VEGFR2 mediated cell proliferation","Signalling to ERKs","MyD88 cascade initiated on plasma membrane","Activated NTRK3 
signals through PI3K","Leishmania phagocytosis","Anti-inflammatory response favouring Leishmania parasite infection","EPHB-mediated forward signaling","The role of Nef in HIV-1 replication and disease
 pathogenesis","TRIF(TICAM1)-mediated TLR4 signaling","NGF-independant TRKA activation","PI3K Cascade","Prolonged ERK activation events","MAP kinase activation","FCGR3A-mediated phagocytosis","FCGR3A-
mediated IL10 synthesis","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","TRAF6-mediated induction of TAK1 complex within TLR4 complex","ARMS-mediated 
activation","IKK complex recruitment mediated by RIP1","activated TAK1 mediates p38 MAPK activation","Nef Mediated CD4 Down-regulation"}

> <broad_targets>
{CSF1R,FLT3,KIT,PDGFRA,PDGFRB,RET}

> <broad_moa>
{"FLT3 inhibitor"}

> <synonyms>
{HY-13001,HY13001,Quizartinib,950769-58-1,950769581,AC220,"Quizartinib (AC220)",AC-220,"AC 220","Quizartinib HCl",UNII-7LA4O6Q0D3,UNII7LA4O6Q0D3,"Quizartinib freebase","AC 010220",AC010220,7LA4O6Q0D3,
CHEMBL576982,CHEBI:90217,ASP-2689,ASP2689,"950769-58-1 (free base)","950769581 (free base)",113282,T2066,S1526,quizartinib}

> <pdid>
PD003221

> <targets>
{FLT-3,Flt,FLT3,Apoptosis,Autophagy,"Ligand for Target Protein for PROTAC"}

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

> <pubchem_cids>
{24889392}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 18 20  0  0  0  0            999 V2000
    2.4192   -8.3243    0.0000 C   0  0
    1.2028   -7.4466    0.0000 C   0  0
    1.1979   -5.9466    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    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
   -1.1079   -6.7042    0.0000 C   0  0
   -2.6079   -6.7003    0.0000 C   0  0
   -0.2222   -7.9149    0.0000 C   0  0
  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  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  2  0
 16 17  1  0
 16 18  1  0
 18  2  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13843

> <plate>
PLATE 002

> <well>
G3

> <supplier_cmpd_name>
Semaxinib

> <ctcr_id>
1850

> <supplier_cmpd_id>
T2064

> <smiles>
Cc1[nH]c(C=C2C(=O)Nc3ccccc23)c(C)c1

> <pd_targets>
{KDR,FLT1,PDGFRB,ALK,FLT4,PDGFRA,FGFR1,MAPT,KMT2A,MEN1,GMNN,FLT3,SRC,BLM,USP2,KIT,EGFR,AVPR1A,LMNA,MAPK1,FGFR2,FGFR3,FGFR4,ABL1,CSF1R,PMP22,FFP,RECQL,NPC1,NPSR1,OXTR,MTOR,RET,ZAP70,PLK4,FRK,RPS6KA3,MA
P4K4,JAK2,STK3,SGK2,AURKA,CSNK1D,JAK3,FER,STK17A,MARK3,ITK,INSR,CAMK2D,RPS6KB1,LCK,CAMK2B,NTRK2,MAP4K5,CSNK1G2,AURKB,TYK2,CSNK1A1,PRKD3,CHEK2,MARK2,CAMK1,FYN,CLK2,AXL,NTRK3,BRSK1,PRKD2,SLK,LYN,NTRK1,M
INK1,BLK,ROCK1,IRAK4,CLK4,SYK,CAMK2G,CSNK1G3,PHKG2,IRAK1,MAP4K2,PTK2B,PKN2,PDPK1}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Epigenetic regulator","Unclassified protein","Membrane receptor","Other nuclear protein",Transporter,Kinase,Reader,Protease,"Family A G protein-coupled receptor",Tra
nsferase,"Protein Kinase",Bromodomain,"Cysteine protease","Peptide receptor (family A GPCR)","TK protein kinase group","TKL protein kinase group","Cysteine protease CA clan","Short peptide receptor (f
amily A GPCR)","CMGC protein kinase group","Atypical protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","TKL protein kinase STKR family","Tyrosine prot
ein kinase FGFR family","Tyrosine protein kinase Src family","Cysteine protease C19 family","Tyrosine protein kinase EGFR family","Vasopressin and oxytocin receptor","CMGC protein kinase MAPK family",
"Tyrosine protein kinase Abl family","Cysteine protease C1A family","Neuropeptide receptor","Atypical protein kinase PIKK family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Syk fami
ly","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily","Other protein kinase group","AGC protein kinase group","STE protein kinase group","C
K1 protein kinase group","CAMK protein kinase group","Other protein kinase PLK family","AGC protein kinase RSK family","STE protein kinase STE20 family","Tyrosine protein kinase JakA family","AGC prot
ein kinase SGK family","Other protein kinase AUR family","CK1 protein kinase CK1 family","Tyrosine protein kinase Fer family","CAMK protein kinase DAPK family","CAMK protein kinase CAMK1 family","Tyro
sine protein kinase Tec family","Tyrosine protein kinase InsR family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase Trk family","CAMK protein kinase PKD family","CAMK protein kinase RAD5
3 family","CMGC protein kinase CLK family","Tyrosine protein kinase Axl family","AGC protein kinase DMPK family","TKL protein kinase IRAK family","CAMK protein kinase PHk family","Tyrosine protein kin
ase Fak family","AGC protein kinase PKN family","AGC protein kinase PDK1 subfamily","AGC protein kinase RSK subfamily","STE protein kinase MSN subfamily","STE protein kinase MST subfamily","CAMK prote
in kinase MARK subfamily","AGC protein kinase p70 subfamily","STE protein kinase KHS subfamily","Tyrosine protein kinase SrcA","CAMK protein kinase BRSK subfamily","STE protein kinase SLK subfamily","
AGC protein kinase ROCK subfamily","CK1 protein kinase CK1-g"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Catalytic receptors","Chromatin modifying enzymes","Peptidases and proteinases","G protein-coupled receptors","Kinases (EC 2.7.x.x)","SLC superfamily of solute carrier
s","Receptor kinases","2.1.1.43 Histone methyltransferases (HMTs)","CA: Cysteine (C) Peptidases","Vasopressin and oxytocin receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","SLC65 NPC-type ch
olesterol transporters","Neuropeptide S receptor",Atypical,"TK: Tyrosine kinase","C19: Ubiquitin-specific protease","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-r
elated kinases (PIKK) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","ERK subfamily","FRAP subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) recep
tor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Src f
amily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Abl family","Type XIV RTKs: RET","Syk family","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile
 11","Sterile 20 kinases","CK1: Casein kinase 1","CAMK: Calcium/calmodulin-dependent protein kinases","Other protein kinases","RSK family","STE20 family","SGK family","Casein kinase 1 (CK1) family","D
eath-associated kinase (DAPK) family","CAMK-like (CAMKL) family","CAMK2 family","Protein kinase D (PKD) family","CAMK1 family","CLK family","DMPK family","TKL: Tyrosine kinase-like","Phosphorylase kin
ase (PHK) family","Protein kinase N (PKN) family","PDK1 family","Polo-like kinase (PLK) family","RSK subfamily","MSN subfamily","MST subfamily","Aurora kinase (Aur) family","MARK subfamily","p70 subfa
mily","KHS subfamily","CHK1 subfamily","BRSK subfamily","SLK subfamily","Rho kinase","Interleukin-1 receptor-associated kinase (IRAK) family","Janus kinase (JakA) family","Fer family","Tec family","Ty
pe II RTKs: Insulin receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Fak family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Neuronal System","Cell Cycle","Gene expression (Transcription)","DNA Repair","Immune System","Developmental Biology","Transport of small molecules","Signaling by Recept
or Tyrosine Kinases","Intracellular signaling by second messengers","Diseases of signal transduction by growth factor receptors and second messengers","Transmission across Chemical Synapses",Mitotic,"
RNA Polymerase II Transcription","DNA Double-Strand Break Repair","Signaling by GPCR","Innate Immune System","Infectious disease","Nervous system development","Plasma lipoprotein assembly",remodeling,
"and clearance","Adaptive Immune System","Signaling by VEGF","PIP3 activates AKT signaling","Signaling by PDGFR in disease","Signaling by FGFR in disease","Neurotransmitter receptors and postsynaptic 
signal transmission","Mitotic G1 phase and G1/S transition","Signaling by Insulin receptor","Signaling by NTRKs","Generic Transcription Pathway","Homology Directed Repair","Signaling by KIT in disease
","GPCR downstream signalling","GPCR ligand binding","M Phase","Toll-like Receptor Cascades","Leishmania infection","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Plasma lipoprotein
 clearance","Axon guidance","TCR signaling","VEGFA-VEGFR2 Pathway","VEGF ligand-receptor interactions","Negative regulation of the PI3K/AKT network","Drug resistance of PDGFR mutants","Signaling by FG
FR1 in disease","Activation of NMDA receptors and postsynaptic events","G1/S Transition","Insulin receptor signalling cascade","Signaling by NTRK1 (TRKA)","Transcriptional regulation by RUNX1","HDR th
rough Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by TP53","Drug resistance of KIT mutants","G alpha (q) signalling events","Class A/1 (Rhodopsin-like 
receptors)","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","Parasite infection","Transcriptional Regulation by VENTX","LDL clearance","Leishmania parasite growth and survival",
"RET signaling","Generation of second messenger molecules","VEGFR2 mediated cell proliferation","VEGF binds to VEGFR leading to receptor dimerization",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling",
"Imatinib-resistant PDGFR mutants","FGFR1 mutant receptor activation","Post NMDA receptor activation events","Activation of the pre-replicative complex","IRS-mediated signalling","Signalling to ERKs",
"RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","HDR through Homologous Recombination (HRR)","Regulation of TP53 Activity","Dasatinib-resistant KIT mutants","Ga
strin-CREB signalling pathway via PKC and MAPK","Peptide ligand-binding receptors","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","Leishmania phagocytosis","Anti-inflammatory response
 favouring Leishmania parasite infection","Signaling by activated point mutants of FGFR1","Activation of AMPK downstream of NMDARs","PI3K Cascade","Signalling to RAS","Homologous DNA Pairing and Stran
d Exchange","Regulation of TP53 Expression and Degradation","EGFR Transactivation by Gastrin","Vasopressin-like receptors","Nuclear Envelope (NE) Reassembly","MAP kinase activation","FCGR3A-mediated p
hagocytosis","ADORA2B mediated anti-inflammatory cytokines production","p38MAPK events","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","Initiation o
f Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated","Cellular responses to external stimuli",Metabolism,"Cellular resp
onses to stress","Signaling by Hippo","Ion channel transport","Cytokine Signaling in Immune system","MTOR signalling","Metabolism of lipids","Metabolism of carbohydrates","Signaling by Rho GTPases","M
itotic G2-G2/M phases","Cellular Senescence","Stimuli-sensing channels","Signaling by Interleukins","Signaling by SCF-KIT","Oncogenic MAPK signaling","mTORC1-mediated signalling","HIV Infection","Sphi
ngolipid metabolism","Interferon Signaling","Signaling by WNT in cancer","Glycogen metabolism","RHO GTPase Effectors","G2/M Transition","PTEN Regulation","Oxidative Stress Induced Senescence","G1 Phas
e","Interleukin-2 family signaling","Signaling by RAS mutants","Host Interactions of HIV factors","Sphingolipid de novo biosynthesis","Interferon alpha/beta signaling","Signaling by AMER1 mutants","Si
gnaling by NTRK3 (TRKC)","Semaphorin interactions","Toll Like Receptor 2 (TLR2) Cascade","Signaling by FGFR3 in disease","Glycogen breakdown (glycogenolysis)","RHO GTPases activate PKNs","Centrosome m
aturation","Regulation of PTEN stability and activity","Cyclin D associated events in G1","Interleukin-15 signaling","Signaling downstream of RAS mutants","The role of Nef in HIV-1 replication and dis
ease pathogenesis","Activation of TRKA receptors","Regulation of IFNA signaling","Truncations of AMER1 destabilize the destruction complex","Activated NTRK3 signals through PI3K","RUNX1 regulates tran
scription of genes involved in BCR signaling","Sema4D in semaphorin signaling","Toll Like Receptor TLR6:TLR2 Cascade","Signaling by FGFR3 point mutants in cancer","Interleukin-2 signaling","Loss of pr
oteins required for interphase microtubule organization from the centrosome","Regulation of TP53 Activity through Phosphorylation","CREB1 phosphorylation through NMDA receptor-mediated activation of R
AS signaling","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","NGF-independant TRKA activation","Separation of Sister Chromatids","Activation of RAC1 d
ownstream of NMDARs","Nef and signal transduction","FCGR3A-mediated IL10 synthesis","Prolonged ERK activation events","Sema4D induced cell migration and growth-cone collapse","MyD88:MAL(TIRAP) cascade
 initiated on plasma membrane","FGFR3 mutant receptor activation","Loss of Nlp from mitotic centrosomes","Ras activation upon Ca2+ influx through NMDA receptor","Nef Mediated CD4 Down-regulation","ARM
S-mediated activation","Signaling by activated point mutants of FGFR3","activated TAK1 mediates p38 MAPK activation","CREB phosphorylation"}

> <broad_targets>
{FGFR1,FLT1,KDR,KIT,PDGFRA,PDGFRB,RET}

> <broad_moa>
{"VEGFR inhibitor"}

> <synonyms>
{"3-((3,5-dimethyl-1H-pyrrol-2-yl)methylidene)-1H-indol-2-one","3((3,5dimethyl1Hpyrrol2yl)methylidene)1Hindol2one",194413-58-6,194413586,DSSTox_CID_21132,DSSToxCID21132,DSSTox-CID-21132,"DSSTox CID 21
132",DSSTox_RID_79631,DSSToxRID79631,DSSTox-RID-79631,"DSSTox RID 79631",DSSTox_GSID_41132,DSSToxGSID41132,DSSTox-GSID-41132,"DSSTox GSID 41132",CAS-204005-46-9,CAS204005469,"2H-Indol-2-one, 3-((3,5-d
imethyl-1H-pyrrol-2-yl)methylene)-1,3-dihydro-","2HIndol2one, 3((3,5dimethyl1Hpyrrol2yl)methylene)1,3dihydro",NCGC00094381-03,NCGC0009438103,Kinome_2848,Kinome2848,Kinome-2848,"Kinome 2848",S,T2064,T2
496,"EMD 676487",3037,Semaxinib,Semaxanib,676487,"SU 5416"}

> <pdid>
PD002610

> <targets>
{VEGFR}

> <classes>
{}

> <pubchem_cids>
{123015}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 22 23  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7554    0.0000 C   0  0
   -3.8938   -2.2554    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4007    1.4818    0.0000 C   0  0
  -11.6971    0.7273    0.0000 C   0  0
  -11.6919   -0.7727    0.0000 C   0  0
  -10.3903   -1.5182    0.0000 C   0  0
   -9.0939   -0.7637    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13844

> <plate>
PLATE 002

> <well>
G4

> <supplier_cmpd_name>
AG-490

> <ctcr_id>
7554

> <supplier_cmpd_id>
T2600

> <smiles>
Oc1ccc(cc1O)\C=C(C#N)\C(=O)NCc2ccccc2

> <pd_targets>
{HIF1A,FFP,TP53,EGFR,KDM4E,SMN1,LMNA,MAPT,CYP2C19,ALOX15,CYP1A2,ALOX12,CHRM1,CYP3A4,GMNN,ERBB2,GRIN1,GRIN2B,GRIN2C,HSD17B10,FTL,KMT2A,MEN1,RECQL,BLM,JAK1,NFKB1,JAK3,PMP22,MAPK1,THPO,ALDH1A1,PKM,HPGD,L
EF,GRIN2A,MTOR,MAP4K2,PLK3,MKNK2,EEF2K,PRKD2,HIPK4,MINK1,MARK2,MAPKAPK2,PIM1,GSK3B,SLK,MAP4K5,PLK4,PRKAA1,TAOK1,IRAK1,AURKB,MAP3K20,AXL,GSK3A,PLK1}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Epigenetic regulator","Other nuclear protein","Other cytosolic protein","Membrane receptor","Unclassified protein","Ion channel",Transferase,Kinase,Eraser,Reader,"Cytoc
hrome P450",Oxidoreductase,"Family A G protein-coupled receptor","Ligand-gated ion channel",Protease,"Protein Kinase","Lysine demethylase","Methyl-lysine/arginine binding protein","Cytochrome P450 fam
ily 2","Cytochrome P450 family 1","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Ionotropic glutamate receptor",Bromodomain,"Metallo protease","TK protein kinase group","Jumonji
 domain-containing","Tudor domain","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Monoamine receptor","Cytochrome P450 family 3A","NMDA receptor","CMGC protein kinase group","Metallo proteas
e MAE clan","Atypical protein kinase group","Tyrosine protein kinase EGFR family","Cytochrome P450 2C19","Cytochrome P450 1A1","Acetylcholine receptor","Cytochrome P450 3A4","Tyrosine protein kinase J
akA family","CMGC protein kinase MAPK family","Metallo protease M34 family","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily","STE protein kinas
e group","Other protein kinase group","CAMK protein kinase group","TKL protein kinase group","STE protein kinase STE20 family","Other protein kinase PLK family","CAMK protein kinase MAPKAPK family","A
typical protein kinase alpha family","CAMK protein kinase PKD family","CMGC protein kinase DYRK family","CAMK protein kinase CAMK1 family","CAMK protein kinase PIM family","CMGC protein kinase GSK fam
ily","TKL protein kinase IRAK family","Other protein kinase AUR family","TKL protein kinase MLK family","Tyrosine protein kinase Axl family","STE protein kinase KHS subfamily","CAMK protein kinase MNK
 subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase MSN subfamily","CAMK protein kinase MARK subfamily","CAMK protein kinase MAPKAPK subfamily","STE protein kinase SLK subfamily","CAM
K protein kinase AMPK subfamily","STE protein kinase TAO subfamily","TKL protein kinase MLK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Chromatin modifying enzymes","Cytochrome P450","Eicosanoid turnover","G protein-coupled receptors","Kinases (EC 2.7.x.x)","2.7.1.40 Pyruvate kinases","Recepto
r kinases","1.14.11.- Histone demethylases","CYP2 family: drug metabolising subset",Lipoxygenases,"CYP1 family","Acetylcholine receptors (muscarinic)","CYP3 family","CMGC: Containing CDK",MAPK,GSK3,"C
LK families","Prostaglandin synthases",Atypical,"TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Receptor tyrosi
ne kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","ERK subfamily","FRAP subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Janus kinase (JakA) family","STE: Homologs of
 yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE20 family","Other protein kinases","MAPK-Activated Protein Kinase (MAPKAPK) family","Alpha 
kinase family","Protein kinase D (PKD) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CAMK-like (CAMKL) family","PIM family","Glycogen synthase kinase (GSK) fa
mily","TKL: Tyrosine kinase-like","KHS subfamily","Polo-like kinase (PLK) family","MKN subfamily","eEF2K subfamily","HIPK subfamily","MSN subfamily","MARK subfamily","MAPKAPK subfamily","GSK subfamily
","SLK subfamily","AMPK subfamily","TAO subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","Aurora kinase (Aur) family","Mixed Lineage Kinase (MLK) family","MLK subfamily","Type XI RT
Ks: TAM (TYRO3-","AXL- and MER-TK) receptor family"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Cell Cycle","Signal Transduction","Metabolism of RNA","Neuronal System",Metabolism,"Developmental Biology","Vesicle-mediated transport","DNA Repair","Immune 
System",Hemostasis,Disease,"Gene expression (Transcription)","Cellular responses to stress","Cell Cycle Checkpoints","Signaling by GPCR","Metabolism of non-coding RNA",Mitotic,"Transmission across Che
mical Synapses","Biological oxidations","Metabolism of lipids","Nervous system development","Metabolism of amino acids and derivatives","Membrane Trafficking","DNA Double-Strand Break Repair","Cytokin
e Signaling in Immune system","Innate Immune System","Platelet activation","signaling and aggregation","Metabolism of carbohydrates","Infectious disease","RNA Polymerase II Transcription","Cellular re
sponse to hypoxia","G1/S DNA Damage Checkpoints","GPCR downstream signalling","snRNP Assembly","M Phase","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization 
of compounds","Biosynthesis of specialized proresolving mediators (SPMs)","GPCR ligand binding","Mitotic G1 phase and G1/S transition","Axon guidance","Branched-chain amino acid catabolism","trans-Gol
gi Network Vesicle Budding","Homology Directed Repair","Interferon Signaling","Signaling by Interleukins","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Toll-like Receptor Cascades"
,"Platelet Aggregation (Plug Formation)","Glucose metabolism","Uptake and actions of bacterial toxins","Generic Transcription Pathway","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Fact
or Alpha","p53-Dependent G1/S DNA damage checkpoint","G alpha (q) signalling events","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","Cytochrome P450 - arranged
 by substrate type","Biosynthesis of DPA-derived SPMs","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","G1/S Transition","Semaphorin interactions","Golgi Associated Vesicle B
iogenesis","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Antiviral mechanism by IFN-stimulated genes","Interleukin-1 family signaling","Interleukin-2 family signaling"
,"Toll Like Receptor 5 (TLR5) Cascade","Ethanol oxidation",Glycolysis,"Uptake and function of anthrax toxins","Transcriptional Regulation by TP53","p53-Dependent G1 DNA Damage Response","Gastrin-CREB 
signalling pathway via PKC and MAPK","Mitotic Anaphase","Post NMDA receptor activation events",Xenobiotics,"Biosynthesis of DPAn-3 SPMs","Amine ligand-binding receptors","Biosynthesis of maresins","Ac
tivation of the pre-replicative complex","Sema4D in semaphorin signaling","HDR through Homologous Recombination (HRR)","ISG15 antiviral mechanism","Interleukin-1 signaling","Interleukin-15 signaling",
"MyD88 cascade initiated on plasma membrane","Biosynthesis of D-series resolvins","Regulation of TP53 Activity","Stabilization of p53","EGFR Transactivation by Gastrin","Nuclear Envelope (NE) Reassemb
ly","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","Biosynthesis of DPAn-3-derived protectins and resolvins","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthe
sis of DPAn-3-derived maresins","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","Sema4D induced cell migration and growth-cone collapse","Homologous DNA Pairing and Strand Exc
hange","MAP3K8 (TPL2)-dependent MAPK1/3 activation","MAP kinase activation","Regulation of TP53 Expression and Degradation","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Env
elope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","ER
Ks are inactivated","MTOR signalling","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","mTORC1-mediated signalling","Sphingol
ipid metabolism","Cellular Senescence","FLT3 signaling in disease","SARS-CoV Infections","Mitotic G2-G2/M phases","Signaling by VEGF","Sphingolipid de novo biosynthesis","Oxidative Stress Induced Sene
scence","Signaling by FLT3 ITD and TKD mutants","SARS-CoV-1 Infection","G2/M Transition","VEGFA-VEGFR2 Pathway","STAT5 activation downstream of FLT3 ITD mutants","SARS-CoV-1 Genome Replication and Tra
nscription","Centrosome maturation","Regulation of TP53 Activity through Phosphorylation","Replication of the SARS-CoV-1 genome","Loss of proteins required for interphase microtubule organization from
 the centrosome","Separation of Sister Chromatids","Loss of Nlp from mitotic centrosomes","activated TAK1 mediates p38 MAPK activation","CREB phosphorylation"}

> <broad_targets>
{EGFR,JAK2,JAK3}

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

> <synonyms>
{"G490 (TYRPHOSTIN B42",133550-30-8,133550308,AG-490,AG490,"Tyrphostin B42","AG 490","Tyrphostin AG 490","(E)-N-benzyl-2-cyano-3-(3,4-dihydroxyphenyl)acrylamide","(E)Nbenzyl2cyano3(3,4dihydroxyphenyl)
acrylamide","Tyrphostin AG490","tyrphostin AG-490","tyrphostin AG490","AG-490 (Tyrphostin B42)","AG490 (Tyrphostin B42)",alpha-Cyano-(3,alphaCyano(3,4-dihydroxy)-N-benzy,4dihydroxy)Nbenzy,T2600,"EMD 6
58401",EI-272,414,S1143,658401}

> <pdid>
PD002602

> <targets>
{EGFR,JAK}

> <classes>
{}

> <pubchem_cids>
{5328779}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    5.1887   -6.0105    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 N   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -5.1821   -3.0099    0.0000 N   0  0
   -3.8787   -3.7540    0.0000 C   0  0
   -3.7305   -5.2338    0.0000 N   0  0
   -2.2612   -5.5355    0.0000 N   0  0
   -1.5202   -4.2313    0.0000 C   0  0
   -2.5316   -3.1235    0.0000 C   0  0
   -0.0288   -4.0641    0.0000 C   0  0
    1.3007   -4.5563    0.0000 C   0  0
    1.0010   -3.0865    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  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  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 17  1  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 22  1  0
 15 25  2  0
 25 11  1  0
  9 26  1  0
 26 27  2  0
 27  6  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13845

> <plate>
PLATE 002

> <well>
G5

> <supplier_cmpd_name>
UNC0064-12

> <ctcr_id>
12167

> <supplier_cmpd_id>
T2056

> <smiles>
NCCCNc1ccc(Nc2nccc(Nc3n[nH]c(c3)C3CC3)n2)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{NC00641,ZINC223222658,1430089-64-7,1430089647,"2,4-Pyrimidinediamine with linker","2,4Pyrimidinediamine with linker",UNC0064-12,UNC006412,VEGFR-2-IN-5,VEGFR2IN5,SCHEMBL15986891,"2,4-Pyrimidinediamine
with linker","2,4Pyrimidinediaminewith linker","2,4-Pyrimidinediamine-with-linker","2,4Pyrimidinediaminewithlinker",BCP14894,MFCD28385887,AKOS027339701,CS-3881,CS3881,UNC0006412,NCGC00485903-01,NCGC00
48590301,T2056}

> <pdid>
PD055917

> <targets>
{VEGFR}

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

> <pubchem_cids>
{90369695}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 41 45  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -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
   -7.7876   -1.5212    0.0000 N   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 N   0  0
   -9.0685   -5.2804    0.0000 C   0  0
  -10.3623   -6.0394    0.0000 C   0  0
  -10.3519   -7.5394    0.0000 C   0  0
   -9.0477   -8.2804    0.0000 C   0  0
   -9.0342   -9.7812    0.0000 O   0  0
   -7.7283  -10.5207    0.0000 C   0  0
   -7.7126  -12.0206    0.0000 N   0  0
   -6.4058  -12.7571    0.0000 C   0  0
   -5.1147  -11.9937    0.0000 N   0  0
   -5.1302  -10.4938    0.0000 C   0  0
   -3.8399   -9.7272    0.0000 N   0  0
   -3.8576   -8.2265    0.0000 C   0  0
   -5.1656   -7.4923    0.0000 O   0  0
   -2.5673   -7.4600    0.0000 C   0  0
   -1.9094   -6.1998    0.0000 C   0  0
   -1.1461   -7.4910    0.0000 C   0  0
   -6.4370   -9.7573    0.0000 C   0  0
   -7.7539   -7.5214    0.0000 C   0  0
   -7.7643   -6.0214    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -5.2060    2.9917    0.0000 C   0  0
   -3.9101    3.7471    0.0000 F   0  0
   -6.5079    3.7368    0.0000 F   0  0
   -5.2119    4.4917    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 28  1  0
 24 31  2  0
 31 20  1  0
 18 32  1  0
 32 33  2  0
 33 15  1  0
 10 34  1  0
 34 35  2  0
 35  7  1  0
  8 36  1  0
 36 37  1  0
 36 38  1  0
 36 39  1  0
  5 40  1  0
 40 41  1  0
 41  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13846

> <plate>
PLATE 002

> <well>
G6

> <supplier_cmpd_name>
WS3

> <ctcr_id>
11525

> <supplier_cmpd_id>
T2055

> <smiles>
CN1CCN(Cc2c(cc(NC(=O)Nc3ccc(Oc4ncnc(NC(=O)C5CC5)c4)cc3)cc2)C(F)(F)F)CC1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1421227-52-2,1421227522,WS3,"beta cell proliferation agonist WS3",C28H30F3N7O3,SCHEMBL21939208,AOB4292,SYN5043,BCP10968,EX-A2181,EXA2181,2804AH,MFCD26142950,s7441,AKOS026750330,ZINC207333873,CCG-2700
90,CCG270090,CS-3448,CS3448,NCGC00347958-01,NCGC0034795801,NCGC00347958-08,NCGC0034795808,AC-33127,AC33127,AK175593,AS-16409,AS16409,D,T2055}

> <pdid>
PD012848

> <targets>
{"ErbB3-Binding Protein-1 (EBP1)","I¦ÊB kinase"}

> <classes>
{Angiogenesis,NF-¦ªb,"JAK/STAT signaling","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{72551586}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 37 41  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
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.9525    2.6576    0.0000 C   0  0
   -4.4525    2.6605    0.0000 C   0  0
   -6.4991    0.7403    0.0000 C   0  0
   -6.4960   -0.7597    0.0000 O   0  0
   -7.8006    1.4876    0.0000 N   0  0
   -9.0991    0.7350    0.0000 C   0  0
   -9.0935   -0.7651    0.0000 C   0  0
  -10.3897   -1.5200    0.0000 C   0  0
  -10.3840   -3.0200    0.0000 F   0  0
  -11.6916   -0.7749    0.0000 C   0  0
  -12.9900   -1.5275    0.0000 O   0  0
  -14.2915   -0.7802    0.0000 C   0  0
  -15.5904   -1.5305    0.0000 C   0  0
  -16.8897   -0.7809    0.0000 C   0  0
  -18.1908   -1.5291    0.0000 N   0  0
  -19.4897   -0.7772    0.0000 C   0  0
  -19.4875    0.7228    0.0000 O   0  0
  -20.7907   -1.5254    0.0000 C   0  0
  -22.2116   -1.4802    0.0000 C   0  0
  -21.4611   -2.7790    0.0000 C   0  0
  -16.8902    0.7191    0.0000 N   0  0
  -15.5914    1.4695    0.0000 C   0  0
  -14.2921    0.7199    0.0000 C   0  0
  -11.6972    0.7251    0.0000 C   0  0
  -10.4010    1.4800    0.0000 C   0  0
  -10.4067    2.9800    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11  9  1  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  1  0
 17 19  2  3
 19 20  1  0
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 27  1  0
 23 30  2  3
 30 31  1  0
 31 32  2  3
 32 21  1  0
 19 33  1  0
 33 34  2  3
 34 15  1  0
 34 35  1  0
  5 36  1  0
 36 37  2  3
 37  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13847

> <plate>
PLATE 002

> <well>
G7

> <supplier_cmpd_name>
Altiratinib

> <ctcr_id>
12165

> <supplier_cmpd_id>
T2054

> <smiles>
FC1=CC=C(NC(=O)C2(CC2)C(=O)NC2=CC(F)=C(OC3=CC(NC(=O)C4CC4)=NC=C3)C=C2F)C=C1

> <pd_targets>
{NTRK3,NTRK1,MET,TEK,NTRK2,KDR}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type VII RTKs: Neurotrophin receptor/Trk family","Type X RTKs: HGF (hepatocyte growth fact
or) receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology","Signaling by Receptor Tyrosine Kinases","Nervous system development","MAPK family signaling cascades","Signaling by NTRKs","Axon guidance","MAPK1/MAPK3 
signaling","Signaling by VEGF","Signaling by NTRK3 (TRKC)","Signaling by NTRK1 (TRKA)","Semaphorin interactions","RAF/MAP kinase cascade","VEGFA-VEGFR2 Pathway","Activated NTRK3 signals through PI3K",
"Signalling to ERKs","Sema4D in semaphorin signaling","Activation of TRKA receptors","VEGFR2 mediated cell proliferation","Prolonged ERK activation events","Sema4D mediated inhibition of cell attachme
nt and migration","NGF-independant TRKA activation","ARMS-mediated activation"}

> <broad_targets>
{KDR,MET,TEK}

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

> <synonyms>
{Altiratinib,1345847-93-9,1345847939,DCC-2701,DCC2701,DP-5164,DP5164,"Altiratinib (USAN)",UNII-T678746713,UNIIT678746713,T678746713,Altiratinib;DCC2701,Altiratinib(DCC-2701),Altiratinib(DCC2701),SCHEM
BL139906,GTPL9174,CHEMBL3545365,DCC-270,DCC270,EX-A902,EXA902,AOB87118,BCP15682,HY-B0791,HYB0791,BDBM50193395,MFCD289006,T2054}

> <pdid>
PD050156

> <targets>
{c-Met,Tie-2,VEGFR,c-Met/HGFR,FLT3,Trk Receptor}

> <classes>
{Angiogenesis,Tyrosine Kinase/Adaptors,Neuronal Signaling,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{54576299}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    2.2558    9.8412    0.0000 C   0  0
    3.1459    8.6338    0.0000 C   0  0
    4.6366    8.8010    0.0000 C   0  0
    5.5267    7.5936    0.0000 C   0  0
    4.9262    6.2190    0.0000 C   0  0
    5.8143    5.0092    0.0000 N   0  0
    5.2115    3.6348    0.0000 C   0  0
    3.7206    3.4702    0.0000 O   0  0
    6.0996    2.4249    0.0000 N   0  0
    5.4979    1.0528    0.0000 C   0  0
    6.2524   -0.2436    0.0000 N   0  0
    5.2526   -1.3618    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8994   -3.7478    0.0000 O   0  0
   -5.1981   -2.9955    0.0000 C   0  0
   -6.4993   -3.7432    0.0000 C   0  0
   -7.7980   -2.9910    0.0000 C   0  0
   -9.0993   -3.7387    0.0000 N   0  0
  -10.3984   -2.9888    0.0000 C   0  0
  -11.6975   -3.7387    0.0000 C   0  0
  -11.6975   -5.2387    0.0000 O   0  0
  -10.3985   -5.9888    0.0000 C   0  0
   -9.0994   -5.2388    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
    4.0317    0.7359    0.0000 S   0  0
    3.4355    6.0519    0.0000 C   0  0
    2.5454    7.2593    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  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
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 28  1  0
 23 34  2  0
 34 19  1  0
 13 35  1  0
 35 10  1  0
  5 36  1  0
 36 37  2  0
 37  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13848

> <plate>
PLATE 002

> <well>
G8

> <supplier_cmpd_name>
FLT3-IN-1

> <ctcr_id>
12392

> <supplier_cmpd_id>
T2051

> <smiles>
Cc1ccc(NC(=O)Nc2nnc(Sc3ncnc4c3ccc(OCCCN3CCOCC3)c4)s2)cc1

> <pd_targets>
{CSF1R,FLT3,KIT,AURKA,FLT4}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Other protein kinases","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 
receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction",Disease,"RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors 
and second messengers","Generic Transcription Pathway","Signaling by Insulin receptor","Signaling by KIT in disease","Signaling by VEGF","Transcriptional Regulation by VENTX","Insulin receptor signall
ing cascade","Drug resistance of KIT mutants","Transcriptional Regulation by TP53","VEGF ligand-receptor interactions","IRS-mediated signalling","Dasatinib-resistant KIT mutants","Regulation of TP53 A
ctivity","VEGF binds to VEGFR leading to receptor dimerization","PI3K Cascade","Regulation of TP53 Activity through Phosphorylation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{LT3IN,FLT3-IN-1,FLT3IN1,1370256-78-2,1370256782,SKLB4771,SKLB477,CHEMBL2046883,FLT3-IN1,SCHEMBL22560575,AOB5016,BCP15716,BDBM50386749,MFCD28900746,s1099,ZINC84757130,"SKLB4771 (FLT3-IN-1)","SKLB4771 
(FLT3IN1)",AKOS026750328,CS-4280,CS4280,NCGC00480922-01,NCGC0048092201,HY-12960,HY12960,T2051}

> <pdid>
PD055914

> <targets>
{FLT3}

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

> <pubchem_cids>
{57412684}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 41 45  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -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
   -7.7876   -1.5212    0.0000 N   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 C   0  0
  -10.3623   -6.0394    0.0000 C   0  0
  -10.3519   -7.5394    0.0000 C   0  0
   -9.0477   -8.2804    0.0000 C   0  0
   -9.0342   -9.7812    0.0000 O   0  0
   -7.7283  -10.5207    0.0000 C   0  0
   -7.7126  -12.0206    0.0000 N   0  0
   -6.4058  -12.7571    0.0000 C   0  0
   -5.1147  -11.9937    0.0000 N   0  0
   -5.1302  -10.4938    0.0000 C   0  0
   -3.8399   -9.7272    0.0000 N   0  0
   -3.8576   -8.2265    0.0000 C   0  0
   -5.1656   -7.4923    0.0000 O   0  0
   -2.5673   -7.4600    0.0000 C   0  0
   -1.9094   -6.1998    0.0000 C   0  0
   -1.1461   -7.4910    0.0000 C   0  0
   -6.4370   -9.7573    0.0000 C   0  0
   -7.7539   -7.5214    0.0000 C   0  0
   -7.7643   -6.0214    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -5.2060    2.9917    0.0000 C   0  0
   -3.9101    3.7471    0.0000 F   0  0
   -6.5079    3.7368    0.0000 F   0  0
   -5.2119    4.4917    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 28  1  0
 24 31  2  0
 31 20  1  0
 18 32  1  0
 32 33  2  0
 33 15  1  0
 10 34  1  0
 34 35  2  0
 35  7  1  0
  8 36  1  0
 36 37  1  0
 36 38  1  0
 36 39  1  0
  5 40  1  0
 40 41  1  0
 41  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13849

> <plate>
PLATE 002

> <well>
G9

> <supplier_cmpd_name>
WS6

> <ctcr_id>
11526

> <supplier_cmpd_id>
T2106

> <smiles>
CN1CCN(Cc2c(cc(NC(=O)Cc3ccc(Oc4ncnc(NC(=O)C5CC5)c4)cc3)cc2)C(F)(F)F)CC1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1421227-53-3,1421227533,WS6,C29H31F3N6O3,CHEMBL3633033,SCHEMBL21939207,"WS-6;WS 6","WS6;WS 6",AOB4296,SYN5114,BCP10967,EX-A2182,EXA2182,2805AH,MFCD26793882,AKOS026750355,ZINC205669012,CCG-270085,CCG2
70085,CS-3447,CS3447,NCGC00384169-08,NCGC0038416908,AC-33128,AC33128,AK340963,AS-16478,AS16478,DA-45012,DA45012,HY-12461,HY12461,B4880,FT-0745267,FT0745267,T2106}

> <pdid>
PD012849

> <targets>
{ErbB3-Binding Protein-1 (EBP2),I¦ÊB kinase,Others}

> <classes>
{Angiogenesis,NF-¦ªb,JAK/STAT signaling,Tyrosine Kinase/Adaptors,Others}

> <pubchem_cids>
{71566751}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Br  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 11  1  0
  9 18  2  0
 18  5  1  0
 18 19  1  0
 19 20  2  0
 20  3  1  0
 20 21  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13850

> <plate>
PLATE 002

> <well>
G10

> <supplier_cmpd_name>
AG-1478

> <ctcr_id>
3007

> <supplier_cmpd_id>
T2047

> <smiles>
COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC

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

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

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

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

> <broad_targets>
{EGFR,MAPK14}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{153436-54-5,153436545,"N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine","N(3bromophenyl)6,7dimethoxyquinazolin4amine",PD153035,PD-153035,"pd 153035",UNII-TC62B68RSL,UNIITC62B68RSL,"4-(3-BROMOANILIN
O)-6,7-DIMETHOXYQUINAZOLINE","4(3BROMOANILINO)6,7DIMETHOXYQUINAZOLINE",AG-1517,AG1517,"SU 5271","4-(3-bromophenylamino)-6,7-dimethoxyquinazoline","4(3bromophenylamino)6,7dimethoxyquinazoline","AG 1517
",NSC-6693,NSC6693,T2041,T2047,T1761,T2034,SY-AG1517,AG-1478,"PD153035 hydrochloride",AG-1557,"AG1517 (PD153035)","PD 153035"}

> <pdid>
PD002607

> <targets>
{EGFR,PTK}

> <classes>
{}

> <pubchem_cids>
{4705}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 43 47  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6060   -6.0003    0.0000 C   0  0
   -2.6060   -7.5003    0.0000 C   0  0
   -1.3070   -8.2503    0.0000 C   0  0
   -0.0080   -7.5003    0.0000 C   0  0
   -0.0079   -6.0003    0.0000 C   0  0
   -1.3071   -9.7511    0.0000 C   0  0
   -2.6056  -10.5019    0.0000 C   0  0
   -0.0078  -10.5008    0.0000 C   0  0
   -1.3064  -11.2511    0.0000 C   0  0
    2.5987    1.5004    0.0000 C   0  0
    3.8991    0.7525    0.0000 C   0  0
    5.1969    1.5046    0.0000 N   0  0
    6.4971    0.7567    0.0000 C   0  0
    5.1945    3.0046    0.0000 C   0  0
    6.4923    3.7567    0.0000 O   0  0
    3.8943    3.7525    0.0000 C   0  0
    3.8888    5.2533    0.0000 N   0  0
    2.5868    5.9998    0.0000 C   0  0
    2.5791    7.4998    0.0000 C   0  0
    1.2763    8.2433    0.0000 C   0  0
   -0.0189    7.4867    0.0000 C   0  0
   -0.0113    5.9867    0.0000 C   0  0
    1.2915    5.2433    0.0000 C   0  0
   -1.3240    8.2279    0.0000 C   0  0
   -1.3342    9.7278    0.0000 O   0  0
   -2.6189    7.4691    0.0000 N   0  0
   -3.9243    8.2079    0.0000 C   0  0
   -5.2169    7.4469    0.0000 C   0  0
   -5.2041    5.9469    0.0000 O   0  0
   -3.8988    5.2080    0.0000 C   0  0
   -2.6062    5.9691    0.0000 C   0  0
    2.5964    3.0004    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 14 17  1  0
 17 18  1  0
 17 19  1  0
 17 20  1  0
  3 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 29  1  0
 32 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 37  1  0
 27 43  2  0
 43 21  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13851

> <plate>
PLATE 002

> <well>
G11

> <supplier_cmpd_name>
CGI1746

> <ctcr_id>
11441

> <supplier_cmpd_id>
T2472

> <smiles>
Cc1c(cccc1NC(=O)c1ccc(cc1)C(C)(C)C)c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOCC2)n1

> <pd_targets>
{BTK}

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

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

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

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CGI-1746,CGI1746,910232-84-7,910232847,GCI1746,"CGI 1746",C34H37N5O4,SCHEMBL769731,GTPL8066,CHEMBL1230541,BDBM36516,DTXSID70647724,EX-A614,EXA614,SYN1164,HMS3652B20,AOB87149,BCP05160,MFCD18782602,s70
51,ZINC58631343,AKOS024462679,BCP9000510,CCG-270125,CCG270125,"CGI1746, 2",T2472}

> <pdid>
PD003242

> <targets>
{BTK}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{24857323}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 32 37  0  0  0  0            999 V2000
    7.7931   -3.0140    0.0000 S   0  0
    6.4915   -3.7597    0.0000 C   0  0
    6.4870   -5.2605    0.0000 N   0  0
    7.7840   -6.0157    0.0000 C   0  0
    7.7795   -7.5165    0.0000 C   0  0
    9.0747   -8.2731    0.0000 C   0  0
    9.0672   -9.7731    0.0000 C   0  0
    7.7644  -10.5165    0.0000 C   0  0
    7.4455  -11.9814    0.0000 O   0  0
    5.9530  -12.1307    0.0000 C   0  0
    5.3498  -10.7573    0.0000 O   0  0
    6.4691   -9.7600    0.0000 C   0  0
    6.4767   -8.2600    0.0000 C   0  0
    5.1945   -3.0045    0.0000 N   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -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 O   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -2.6837   -4.3363    0.0000 C   0  0
   -4.1755   -4.1795    0.0000 C   0  0
   -4.7856   -2.8092    0.0000 C   0  0
   -3.9040   -1.5957    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12  8  1  0
 12 13  2  0
 13  5  1  0
  2 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 17 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 24  1  0
 32 27  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13852

> <plate>
PLATE 002

> <well>
H2

> <supplier_cmpd_name>
Amuvatinib

> <ctcr_id>
532

> <supplier_cmpd_id>
T2516

> <smiles>
S=C(NCc1ccc2OCOc2c1)N3CCN(CC3)c4ncnc5c4oc6ccccc56

> <pd_targets>
{KIT,FLT3,PDGFRA,MET,RET,PDGFRB}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type X RTKs: HGF (hepatocyte growth
 factor) receptor family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Developmental Biology","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Nervous system devel
opment","Intracellular signaling by second messengers","Signaling by KIT in disease","Signaling by Insulin receptor","Signaling by PDGFR in disease","Axon guidance","PIP3 activates AKT signaling","Dru
g resistance of KIT mutants","Insulin receptor signalling cascade","Drug resistance of PDGFR mutants","Semaphorin interactions","Negative regulation of the PI3K/AKT network","Dasatinib-resistant KIT m
utants","IRS-mediated signalling","Imatinib-resistant PDGFR mutants","Sema4D in semaphorin signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","PI3K Cascade","Sema4D mediated inhibition of cel
l attachment and migration"}

> <broad_targets>
{KIT,MET}

> <broad_moa>
{"FLT3 inhibitor","KIT inhibitor","PDGFR tyrosine kinase receptor inhibitor","RAD51 inhibitor","RET tyrosine kinase inhibitor"}

> <synonyms>
{"MUVATINIB (MP470",Amuvatinib,850879-09-3,850879093,MP-470,MP470,"Amuvatinib (MP-470)","Amuvatinib (MP470)","MP 470",HPK56,"HPK 56",UNII-SO9S6QZB4R,UNIISO9S6QZB4R,"Amuvatinib (MP-470, HPK 56)","Amuva
tinib (MP470, HPK 56)",SO9S6QZB4R,HPK-56,"Amuvatinib (USAN:INN)",Amuvatinib(MP470),PubChem22479,"Amuvatinib (USAN/INN)",SCHEMBL9,T2516,S1244}

> <pdid>
PD011043

> <targets>
{"c-Kit | VEGFR-PDGFR",c-Met,Flt,c-Kit,FLT3,c-RET,PDGFR,Apoptosis,c-Met/HGFR,RAD51,RET}

> <classes>
{Protein Tyrosine Kinase,Apoptosis,Cell Cycle/DNA Damage,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{11282283}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 31 33  0  0  0  0            999 V2000
   -5.2381   11.9898    0.0000 C   0  0
   -5.2308   10.4899    0.0000 O   0  0
   -3.9278    9.7450    0.0000 C   0  0
   -3.9204    8.2442    0.0000 C   0  0
   -2.6175    7.4994    0.0000 O   0  0
   -2.6101    5.9986    0.0000 C   0  0
   -1.3089    5.2523    0.0000 C   0  0
   -1.3046    3.7523    0.0000 C   0  0
   -2.6015    2.9986    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 N   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -7.7884   -1.5181    0.0000 F   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -5.1821   -3.0099    0.0000 N   0  0
   -3.8787   -3.7540    0.0000 C   0  0
   -3.8682   -5.2539    0.0000 C   0  0
   -2.5640   -5.9949    0.0000 C   0  0
   -1.2702   -5.2360    0.0000 C   0  0
   -1.2805   -3.7360    0.0000 C   0  0
    0.0124   -2.9739    0.0000 N   0  0
   -0.0001   -1.4732    0.0000 C   0  0
   -1.3056   -0.7345    0.0000 O   0  0
    1.2929   -0.7111    0.0000 C   0  0
    1.2804    0.7888    0.0000 C   0  0
   -2.5847   -2.9950    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 N   0  0
   -3.9027    3.7449    0.0000 C   0  0
   -3.9070    5.2449    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  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 27  2  0
 22 28  2  0
 28 18  1  0
 16 29  2  0
 29 11  1  0
  9 30  1  0
 30 31  2  0
 31  6  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13853

> <plate>
PLATE 002

> <well>
H3

> <supplier_cmpd_name>
Spebrutinib

> <ctcr_id>
4408

> <supplier_cmpd_id>
T2603

> <smiles>
COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)C=C)c3)n2)cc1

> <pd_targets>
{TEC,BTK,YES1,LYN,BMX,JAK3,EGFR,TXK,ITK}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Tec family","Src family","Janus kinase (JakA) fami
ly","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Immune System",Disease,Metabolism,"Signal Transduction","Cytokine Signaling in Immune system","Infectious disease","Metabolism of lipids","Signaling by GPCR","Innate Immune System","Adaptive Immune 
System","Signaling by Interleukins","Leishmania infection","Phospholipid metabolism","GPCR downstream signalling","Fc epsilon receptor (FCERI) signaling","TCR signaling",Interleukin-3,"Interleukin-5 a
nd GM-CSF signaling","Parasite infection","Leishmania parasite growth and survival","PI Metabolism","Interleukin-2 family signaling","G alpha (q) signalling events","FCERI mediated Ca+2 mobilization",
"Generation of second messenger molecules","Leishmania phagocytosis","Anti-inflammatory response favouring Leishmania parasite infection","Synthesis of PIPs at the plasma membrane","Interleukin-15 sig
naling","Gastrin-CREB signalling pathway via PKC and MAPK","FCGR3A-mediated phagocytosis","FCGR3A-mediated IL10 synthesis","EGFR Transactivation by Gastrin"}

> <broad_targets>
{BTK,YES1}

> <broad_moa>
{"Bruton's tyrosine kinase (BTK) inhibitor"}

> <synonyms>
{AVL-292,AVL292,spebrutinib,1202757-89-8,1202757898,cc-292,cc292,UNII-DRU6NG543J,UNIIDRU6NG543J,"Spebrutinib (AVL-292)","Spebrutinib (AVL292)",DRU6NG543J,"AVL 292","CC-292 (AVL-292)","CC292 (AVL292)",
"Btk inhibitor CC-292","Btk inhibitor CC292","Spebrutinib (USAN:INN)","Spebrutinib (USAN/INN)",SCHEMBL626216,GTPL7837,CHEMBL3301625,AMY9065,EX-A,EXA,T2603,S7173,Spebrutinib}

> <pdid>
PD003243

> <targets>
{BTK}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{59174488}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    9.3115   -5.7088    0.0000 C   0  0
    8.5637   -7.0091    0.0000 C   0  0
    9.3164   -8.3066    0.0000 N   0  0
    7.0629   -7.0113    0.0000 C   0  0
    6.3152   -8.3117    0.0000 O   0  0
    6.3098   -5.7131    0.0000 O   0  0
    4.8090   -5.7153    0.0000 C   0  0
    4.0613   -7.0156    0.0000 C   0  0
    4.0559   -4.4171    0.0000 C   0  0
    2.5551   -4.4192    0.0000 O   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8990   -0.7455    0.0000 C   0  0
   -3.8939    0.7546    0.0000 C   0  0
   -5.1904    1.5090    0.0000 C   0  0
   -6.4920    0.7635    0.0000 C   0  0
   -7.9161    1.2320    0.0000 N   0  0
   -8.8020    0.0215    0.0000 C   0  0
  -10.3020    0.0267    0.0000 C   0  0
   -7.9245   -1.1951    0.0000 C   0  0
   -6.4971   -0.7365    0.0000 C   0  0
   -5.2007   -1.4909    0.0000 C   0  0
   -5.2059   -2.9909    0.0000 F   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.6923   -4.0811    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  2  0
 26 27  1  0
 27 22  1  0
 27 28  2  0
 28 19  1  0
 28 29  1  0
 17 30  1  0
 30 13  1  0
 30 31  2  0
 31 11  1  0
 31 32  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13854

> <plate>
PLATE 002

> <well>
H4

> <supplier_cmpd_name>
Brivanib Alaninate

> <ctcr_id>
5616

> <supplier_cmpd_id>
T2576

> <smiles>
CC(N)C(=O)OC(C)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C

> <pd_targets>
{FLT1,FLT4,KDR,FGFR1,FGFR2,FGFR3,FGFR4}

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

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
{FGFR3}

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

> <synonyms>
{SCHEMBL2263525,HMS3651K03,AKOS026750544,NCGC00389340-01,NCGC0038934001,DB-073559,DB073559,FT-0663602,FT0663602,T2576,S1138,"Brivanib Alaninate","Brivanib alaninate (BMS-582664)","Brivanib Alaninate (
BMS-582664)"}

> <pdid>
PD011119

> <targets>
{VEGFR,FGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{22508903}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 41 46  0  0  0  0            999 V2000
    7.7988   -1.4819    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -2.5112   -6.1125    0.0000 O   0  0
   -2.0454   -7.5384    0.0000 C   0  0
   -2.9216   -8.7537    0.0000 C   0  0
   -2.3070  -10.1229    0.0000 N   0  0
   -3.1847  -11.3404    0.0000 C   0  0
   -2.5701  -12.7096    0.0000 C   0  0
   -3.4478  -13.9270    0.0000 S   0  0
   -2.8335  -15.2954    0.0000 O   0  0
   -4.9401  -13.7752    0.0000 O   0  0
   -4.3256  -15.1433    0.0000 C   0  0
   -0.5454   -7.5360    0.0000 C   0  0
   -0.0841   -6.1087    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
    7.7876    1.5211    0.0000 O   0  0
    7.7802    3.0220    0.0000 C   0  0
    9.0740    3.7810    0.0000 C   0  0
    9.0637    5.2810    0.0000 C   0  0
    7.7595    6.0220    0.0000 N   0  0
    7.4379    7.4863    0.0000 N   0  0
    5.9450    7.6327    0.0000 C   0  0
    5.3444    6.2582    0.0000 N   0  0
    6.4656    5.2630    0.0000 C   0  0
    6.4760    3.7630    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  6  1  0
 15 10  1  0
 13 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  2  0
 23 26  1  0
 18 27  2  0
 27 28  1  0
 28 16  2  0
  4 29  2  0
 29 30  1  0
 30 31  2  0
 31  2  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 36  1  0
 40 41  1  0
 41 33  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13855

> <plate>
PLATE 002

> <well>
H5

> <supplier_cmpd_name>
ARRY380

> <ctcr_id>
5591

> <supplier_cmpd_id>
T2518

> <smiles>
Cc1cc(Nc2ncnc3ccc(cc23)c4oc(CNCCS(=O)(=O)C)cc4)ccc1Oc5ccn6ncnc6c5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{ER2INHIBITOR,Arry-380,Arry380,937265-83-3,937265833,HER2-Inhibitor-1,HER2Inhibitor1,"ARRY-380 (analog )","ARRY380 (analog )","ARRY-380 Analog","ARRY380 Analog",UNII-H32S1659ED,UNIIH32S1659ED,"Arry 38
0",H32S1659ED,"937265-83-3 (ARRY-380 analog)","937265833 (ARRY380 analog)","HER2 Inhibitor 1",cc-595,cc595,CHEMBL4303303,SCHEMBL10169911,C29H27N7O4S,DTXSID00239555,T2518,S2752,ARRY380}

> <pdid>
PD012935

> <targets>
{HER2,EGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{42598643}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    9.9949    2.8884    0.0000 C   0  0
    9.3803    1.5201    0.0000 C   0  0
    7.8873    1.3671    0.0000 S   0  0
    7.0092    2.5832    0.0000 O   0  0
    8.5012    2.7357    0.0000 O   0  0
    7.2749    0.0036    0.0000 N   0  0
    5.8727   -0.5294    0.0000 C   0  0
    6.4440   -1.8462    0.0000 C   0  0
    7.3224   -3.0632    0.0000 C   0  0
    8.8156   -2.9119    0.0000 C   0  0
   10.3080   -2.7606    0.0000 N   0  0
    7.8079   -1.3985    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  3  0
  8 12  1  0
 12  6  1  0
  8 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 13  1  0
 15 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 18  1  0
 26 22  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13856

> <plate>
PLATE 002

> <well>
H6

> <supplier_cmpd_name>
Baricitinib

> <ctcr_id>
6687

> <supplier_cmpd_id>
T2485

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

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

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

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

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

> <broad_targets>
{JAK1,JAK2}

> <broad_moa>
{"JAK inhibitor"}

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

> <pdid>
PD010550

> <targets>
{JAK}

> <classes>
{}

> <pubchem_cids>
{44205240}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 36 39  0  0  0  0            999 V2000
  -14.0594   -9.6208    0.0000 C   0  0
  -12.9718   -8.5878    0.0000 N   0  0
  -13.3230   -7.1295    0.0000 C   0  0
  -11.5323   -9.0126    0.0000 C   0  0
  -10.4441   -7.9791    0.0000 C   0  0
   -9.0046   -8.4038    0.0000 N   0  0
   -8.6534   -9.8621    0.0000 C   0  0
   -7.9164   -7.3703    0.0000 C   0  0
   -8.2701   -5.9126    0.0000 C   0  0
   -7.1846   -4.8774    0.0000 C   0  0
   -5.7452   -5.2998    0.0000 C   0  0
   -5.3916   -6.7576    0.0000 C   0  0
   -6.4771   -7.7928    0.0000 C   0  0
   -6.1201   -9.2506    0.0000 N   0  0
   -4.6795   -9.6712    0.0000 C   0  0
   -3.5958   -8.6341    0.0000 O   0  0
   -4.3225  -11.1290    0.0000 C   0  0
   -2.8827  -11.5494    0.0000 C   0  0
   -4.6570   -4.2663    0.0000 N   0  0
   -3.2175   -4.6910    0.0000 C   0  0
   -2.8628   -6.1485    0.0000 N   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 N   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -7.5416   -3.4196    0.0000 O   0  0
   -8.9814   -2.9992    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 11 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 24 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 26  1  0
 34 29  1  0
 10 35  1  0
 35 36  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13857

> <plate>
PLATE 002

> <well>
H7

> <supplier_cmpd_name>
AZ5104

> <ctcr_id>
11528

> <supplier_cmpd_id>
T2491

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

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

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

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

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

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

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

> <pdid>
PD012313

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

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

> <pubchem_cids>
{71496460}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 35 37  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 S   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.5993    0.0004    0.0000 O   0  0
    1.3000   -0.7500    0.0000 O   0  0
   11.5904    0.3824    0.0000 O   0  0
   12.8907    1.1301    0.0000 C   0  0
   12.8928    2.6309    0.0000 N   0  0
   11.5946    3.3840    0.0000 C   0  0
   11.5946    4.8840    0.0000 C   0  0
   10.2956    5.6340    0.0000 C   0  0
    8.9965    4.8840    0.0000 C   0  0
    8.9965    3.3840    0.0000 C   0  0
   10.2956    2.6340    0.0000 C   0  0
    7.6963    5.6345    0.0000 C   0  0
    8.9090    6.4540    0.0000 C   0  0
    8.4439    7.8801    0.0000 C   0  0
    6.9439    7.8784    0.0000 C   0  0
    6.4819    6.4513    0.0000 C   0  0
    6.3982    4.8813    0.0000 C   0  0
    5.1007    4.1286    0.0000 N   0  0
   14.1889    0.3770    0.0000 C   0  0
   15.4881    1.1270    0.0000 C   0  0
   16.7871    0.3769    0.0000 C   0  0
   16.7870   -1.1231    0.0000 C   0  0
   15.4880   -1.8730    0.0000 N   0  0
   14.1890   -1.1230    0.0000 C   0  0
   12.8908   -1.8761    0.0000 N   0  0
   12.8929   -3.3769    0.0000 C   0  0
   11.5947   -4.1300    0.0000 C   0  0
   11.5947   -5.6301    0.0000 C   0  0
   10.2957   -6.3801    0.0000 C   0  0
    8.9966   -5.6301    0.0000 N   0  0
    8.9965   -4.1301    0.0000 C   0  0
   10.2956   -3.3801    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 15  1  0
 15 20  1  0
 20 21  3  0
  7 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13858

> <plate>
PLATE 002

> <well>
H8

> <supplier_cmpd_name>
Apatinib

> <ctcr_id>
4550

> <supplier_cmpd_id>
T2582

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

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

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

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

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

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

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

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

> <pdid>
PD057121

> <targets>
{VEGFR,c-RET}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{45139106}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13859

> <plate>
PLATE 002

> <well>
H9

> <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_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 31 35  0  0  0  0            999 V2000
    7.5955    2.7333    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.1020    3.4627    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    4.2568    0.5878    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    4.8111   -4.6641    0.0000 C   0  0
    3.9296   -5.8777    0.0000 S   0  0
    6.3036   -4.8212    0.0000 N   0  0
    6.9148   -6.1919    0.0000 C   0  0
    8.4063   -6.3511    0.0000 C   0  0
    9.0143   -7.7224    0.0000 C   0  0
    8.1308   -8.9345    0.0000 C   0  0
    6.6392   -8.7754    0.0000 C   0  0
    6.0312   -7.4042    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.7171    0.9385    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 10 20  1  0
 20  7  2  0
  8 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 21  1  0
 30 25  1  0
  6 31  2  0
 31  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13860

> <plate>
PLATE 002

> <well>
H10

> <supplier_cmpd_name>
ALK5 Inhibitor IV

> <ctcr_id>
11904

> <supplier_cmpd_id>
T3031

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

> <pd_targets>
{FFP,RORC}

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

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

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

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD012947

> <targets>
{ALK4,ALK5,ALK7}

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

> <pubchem_cids>
{16218924}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 34 39  0  0  0  0            999 V2000
    2.8168    0.1000    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -0.3115    2.9665    0.0000 C   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.4133    1.7530    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8056   -3.8680    0.0000 C   0  0
   -3.3371   -5.2929    0.0000 C   0  0
   -1.8371   -5.2877    0.0000 N   0  0
   -1.3786   -3.8595    0.0000 N   0  0
   -4.2150   -6.5101    0.0000 C   0  0
   -5.4726   -7.1644    0.0000 C   0  0
   -4.1825   -7.9296    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    5.3712   -0.4376    0.0000 C   0  0
    5.6766    1.0310    0.0000 O   0  0
    6.4913   -1.4365    0.0000 N   0  0
    7.9168   -0.9668    0.0000 C   0  0
    9.0377   -1.9636    0.0000 C   0  0
   10.4614   -1.4913    0.0000 C   0  0
   10.7643   -0.0222    0.0000 C   0  0
   12.1880    0.4501    0.0000 F   0  0
    9.6434    0.9746    0.0000 N   0  0
    8.2197    0.5023    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  9  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 16  2  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 21  1  0
 14 24  2  0
 24  7  1  0
  2 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 31 33  1  0
 33 34  2  0
 34 28  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13861

> <plate>
PLATE 002

> <well>
H11

> <supplier_cmpd_name>
BMS-754807

> <ctcr_id>
4392

> <supplier_cmpd_id>
T2349

> <smiles>
CC1(CCCN1c2nn3cccc3c(Nc4cc([nH]n4)C5CC5)n2)C(=O)Nc6ccc(F)nc6

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{MS75480,SCHEMBL14860927,AKOS026750442,NCGC00389276-02,NCGC0038927602,DB-058305,DB058305,FT-0685177,FT0685177,S1124,BMS-754807}

> <pdid>
PD063338

> <targets>
{"Trk receptor",IGF-1R,c-Met}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{71548617}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
   -3.7793  -11.3955    0.0000 O   0  0
   -4.2401   -9.9681    0.0000 C   0  0
   -5.7077   -9.6537    0.0000 N   0  0
   -6.7155  -10.7648    0.0000 C   0  0
   -8.1816  -10.4476    0.0000 C   0  0
   -8.6399   -9.0193    0.0000 N   0  0
   -7.6322   -7.9083    0.0000 C   0  0
   -6.1661   -8.2254    0.0000 C   0  0
   -3.2334   -8.8550    0.0000 C   0  0
   -1.7662   -9.1671    0.0000 C   0  0
   -0.7624   -8.0525    0.0000 C   0  0
   -1.2256   -6.6258    0.0000 C   0  0
   -2.6928   -6.3138    0.0000 C   0  0
   -3.6967   -7.4283    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  2  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 17  1  0
 25 20  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13862

> <plate>
PLATE 003

> <well>
A2

> <supplier_cmpd_name>
KW2449

> <ctcr_id>
7182

> <supplier_cmpd_id>
T2341

> <smiles>
O=C(N1CCNCC1)c2ccc(cc2)/C=C/c3n[nH]c4ccccc34

> <pd_targets>
{MERTK,INSR,KIT,TLK1,CILK1,TNIK,IRAK4,MAP3K19,STK35,CSNK1D,MAP2K5,HIPK1,FYN,PKN1,NUAK2,MAP3K7,BMP2K,FGFR4,MYLK4,SBK1,MINK1,ACVR1,ACVR2B,PIP5K1A,BMPR2,CSNK1E,MAP3K10,MST1R,PDPK1,SRPK1,TTK,PRPF4B,FLT3,A
LK,EPHA2,EPHB6,LATS1,ABL1,DYRK1B,FER,EGFR,PRKAA2,CAMK2A,MET,RPS6KA2,EPHA6,SRPK2,FGFR3,IRAK3,AAK1,DAPK1,STK4,ABL2,HIPK3,CAMK1,RIPK2,PIP4K2B,STK24,MAP2K4,NEK4,MAP3K2,SGK3,LATS2,CDK17,STK11,ERN1,FES,LYN,
MAPK8,CAMK1D,MAP2K2,RPS6KA4,PAK4,ULK3,DAPK3,ACVR2A,BMX,FRK,JAK1,MAP2K3,TXK,CDC42BPG,TYK2,AURKA,CDKL2,BRSK2,CIT,IKBKE,INSRR,AURKC,DDR2,IGF1R,CSNK1G2,DDR1,MAP3K3,MAPK6,CAMK1G,SIK3,MARK1,PAK5,HIPK2,STK33
,MAPK9,SBK3,CDPK1,STK38L,MKNK2,RIPK4,GRK7,SIK1,TEK,STK39,TBK1,SRPK3,SLK,RET,FGFR1,MYLK2,MAP3K9,MYLK3,ZAP70,DSTYK,NEK7,NIM1K,SIK2,GRK4,NEK5,LTK,CSK,MAP4K2,ROCK2,EPHA1,ITK,PKN2,RPS6KA6,CHEK1,LRRK2,RPS6K
A3,GAK,NTRK2,PRKG2,FGR,YES1,CDK16,STK25,MYLK,AURKB,PRKG1,MAP3K13,PRKX,EPHB4,SRC,NTRK1,MYO3B,BLK,CSNK1A1,KDR,MAP3K11,NEK3,PAK2,PDGFRB,MAPK7,MAPK10,RPS6KA1,SYK,RIOK3,TNK1,CLK2,PRKAA1,STK16,MAP4K1,MAP2K6
,EIF2AK2,NEK2,ULK2,MELK,TNK2,BMPR1B,CDK7,CSNK2A2,FLT4,PAK1,MAPK11,MAP2K1,MAP4K3,RIPK1,STK17B,STK38,BTK,MATK,JAK3,TAOK3,PLK4,TSSK1B,BRSK1,CDK15,PTK2B,WEE2,RIOK2,CSNK1G1,CAMKK1,DCLK3,MAPK15,HIPK4,ANKK1,
TLK2,CDK4,MARK2,RIOK1,NEK9,CLK4,DMPK,EPHA7,EPHB1,STK17A,CHUK,PHKG1,OXSR1,MUSK,BMPR1A,RPS6KA5,JAK2,MAP3K4,STK10,CAMKK2,MAP4K5,IKBKB,PAK3,WEE1,STK32A,AXL,PRKD1,EIF2AK4,CHEK2,PRKD2,FGFR2,MARK4,PKNB,SRMS,
MAP3K20,DYRK1A,TAOK1,IRAK1,CSNK2A1,FLT1,MARK3,NEK1,CDK14,CLK1,NTRK3,PTK2,STK26,DCLK1,CSF1R,MAP3K12,DAPK2,HUNK,MYO3A,PAK6,MAP4K4,RPS6KB1,DYRK2,MAPKAPK5,CSNK1G3,ULK1,NEK6,PHKG2,EPHA3,ROCK1,TIE1,PRKD3,CL
K3,LCK,PDGFRA,HCK}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,Transferase,"Protein Kinase","TK protein kinase group","Other protein kinase group","CMGC protein kinase group","STE protein kinase group","TKL protein kinase gro
up","CK1 protein kinase group","AGC protein kinase group","CAMK protein kinase group","Atypical protein kinase group","Tyrosine protein kinase Axl family","Tyrosine protein kinase InsR family","Tyrosi
ne protein kinase PDGFR family","Other protein kinase TLK family","CMGC protein kinase RCK family","STE protein kinase STE20 family","TKL protein kinase IRAK family","STE protein kinase STE11 family",
"Other protein kinase NKF4 family","CK1 protein kinase CK1 family","STE protein kinase STE7 family","CMGC protein kinase DYRK family","Tyrosine protein kinase Src family","AGC protein kinase PKN famil
y","CAMK protein kinase CAMK1 family","TKL protein kinase MLK family","Other protein kinase NAK family","Tyrosine protein kinase FGFR family","CAMK protein kinase MLCK family","Other protein kinase NK
F1 family","TKL protein kinase STKR family","Tyrosine protein kinase Met family","AGC protein kinase PDK1 subfamily","CMGC protein kinase SRPK family","Other protein kinase TTK family","Tyrosine prote
in kinase Eph family","AGC protein kinase NDR family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Fer family","Tyrosine protein kinase EGFR family","CAMK protein kinase CAMK2 family"
,"AGC protein kinase RSK family","CAMK protein kinase DAPK family","TKL protein kinase RIPK family","Other protein kinase NEK family","AGC protein kinase SGK family","CMGC protein kinase CDK family","
CMGC protein kinase MAPK family","Other protein kinase ULK family","Tyrosine protein kinase Tec family","Tyrosine protein kinase JakA family","AGC protein kinase DMPK family","Other protein kinase AUR
 family","CMGC protein kinase CDKL family","Tyrosine protein kinase DDR family","CAMK protein kinase unique family","CAMK protein kinase MAPKAPK family","AGC protein kinase GRK family","Tyrosine prote
in kinase Tie family","Other protein kinase IKK family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Syk family","Tyrosine protein kinase Alk family","Tyrosine protein kinase Csk fami
ly","TKL protein kinase LRRK family","Tyrosine protein kinase Trk family","AGC protein kinase PKG family","AGC protein kinase PKA family","Tyrosine protein kinase VEGFR family","Atypical protein kinas
e RIO family","Tyrosine protein kinase Ack family","CMGC protein kinase CLK family","Other protein kinase PEK family","Other protein kinase CK2 family","Other protein kinase PLK family","CAMK protein 
kinase TSSK family","Tyrosine protein kinase Fak family","Other protein kinase WEE family","Other protein kinase CAMKK family","CAMK protein kinase DCAMK1 family","CAMK protein kinase PHk family","Tyr
osine protein kinase Musk family","AGC protein kinase YANK family","CAMK protein kinase PKD family","CAMK protein kinase RAD53 family","CMGC protein kinase MAK","STE protein kinase MSN subfamily","CMG
C protein kinase HIPK subfamily","Tyrosine protein kinase SrcA","CAMK protein kinase NuaK subfamily","TKL protein kinase TAK1 subfamily","TKL protein kinase STKR1","TKL protein kinase STKR Type 2 subf
amily","TKL protein kinase MLK subfamily","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase Dyrk1 subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase RSK subfamily","STE 
protein kinase MST subfamily","STE protein kinase YSK subfamily","STE protein kinase MEKK2","CMGC protein kinase PCTAIRE","CAMK protein kinase LKB subfamily","CMGC protein kinase JNK subfamily","AGC p
rotein kinase MSK subfamily","STE protein kinase PAKB subfamily","AGC protein kinase GEK subfamily","CAMK protein kinase BRSK subfamily","AGC protein kinase CRIK subfamily","CMGC protein kinase ERK3",
"CAMK protein kinase QIK subfamily","CAMK protein kinase MARK subfamily","CAMK protein kinase MNK subfamily","AGC protein kinase GRK subfamily","STE protein kinase FRAY subfamily","STE protein kinase 
SLK subfamily","CAMK protein kinase NIM1 subfamily","STE protein kinase KHS subfamily","AGC protein kinase ROCK subfamily","CAMK protein kinase CHK1 subfamily","CMGC protein kinase TAIRE subfamily","T
KL protein kinase LZK subfamily","STE protein kinase NinaC subfamily","Other protein kinase Nek1","STE protein kinase PAKA subfamily","CMGC protein kinase ERK5","Atypical protein kinase RIO3 subfamily
","Other protein kinase PKR","CAMK protein kinase MELK subfamily","CMGC protein kinase CDK7 subfamily","CMGC protein kinase p38 subfamily","STE protein kinase TAO subfamily","CMGC protein kinase PFTAI
RE","Other protein kinase WEE1","Atypical protein kinase RIO2 subfamily","Other protein kinase Meta subfamily","Atypical protein kinase RIO1 subfamily","Other protein kinase GCN2 subfamily","Tyrosine 
protein kinase Srm","AGC protein kinase p70 subfamily","CMGC protein kinase Dyrk2 subfamily","CAMK protein kinase MAPKAPK subfamily","CK1 protein kinase CK1-g"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases",
"CK1: Casein kinase 1","AGC: Containing PKA",PKG,"PKC families","CAMK: Calcium/calmodulin-dependent protein kinases","Lipid modifying kinases",Atypical,"TK: Tyrosine kinase","Other protein kinases","R
CK family","STE20 family","TKL: Tyrosine kinase-like","Casein kinase 1 (CK1) family","STE7 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Protein kinase N (PKN
) family","CAMK-like (CAMKL) family","Myosin Light Chain Kinase (MLCK) family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","PDK1 family","SRPK family","NDR family","CAMK2
 family","RSK family","Death-associated kinase (DAPK) family","CAMK1 family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","STE11 family","SGK family","Cyclin-dependent ki
nase (CDK) family","Mitogen-activated protein kinases (MAP kinases)","DMPK family","Cyclin-dependent kinase-like (CDKL) family","CAMK-unique family","MAPK-Activated Protein Kinase (MAPKAPK) family","G
 protein-coupled receptor kinases (GRKs)","Protein kinase G (PKG) family","Protein kinase A (PKA) family","RIO family","CLK family","Testis specific kinase (TSSK) family","DCAMKL family","Phosphorylas
e kinase (PHK) family","YANK family","Protein kinase D (PKD) family","Receptor tyrosine kinases (RTKs)","Tousled-like kinase (TLK) family","MSN subfamily","Interleukin-1 receptor-associated kinase (IR
AK) family","STE20 subfamily","NKF4 family","HIPK subfamily","Non-receptor tyrosine kinases (nRTKs)","NuaK subfamily","Mixed Lineage Kinase (MLK) family","Numb-associated kinase (NAK) family","NKF1 fa
mily","Receptor serine/threonine kinase (RSTK) family","TTK family","PRP4 subfamily","Dyrk1 subfamily","AMPK subfamily","RSK subfamily","NAK family","MST subfamily","Receptor interacting protein kinas
e (RIPK) family","YSK subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","TAIRE subfamily","LKB subfamily","IRE family","JNK subfamily","MSK subfamily","PAKB subfamily","Unc-51-l
ike kinase (ULK) family","GEK subfamily","Aurora kinase (Aur) family","BRSK subfamily","Other DMPK family kinases","IKK family","ERK subfamily","QIK subfamily","MARK subfamily","MKN subfamily","Opsin/
rhodopsin kinases","FRAY subfamily","SLK subfamily","Other-unique family","NIM1 subfamily","GRK4 subfamily","KHS subfamily","Rho kinase","CHK1 subfamily","Leucine-rich repeat kinase (LRRK) family","Ni
naC subfamily","PAKA subfamily","RIO3 subfamily","PEK family","MELK subfamily","CDK7 subfamily","Casein kinase 2 (CK2) family","p38 subfamily","TAO subfamily","Polo-like kinase (PLK) family","WEE fami
ly","RIO2 subfamily","CAMKK family","Erk7 subfamily","CDK4 subfamily","RIO1 subfamily","HUNK subfamily","p70 subfamily","Dyrk2 subfamily","MAPKAPK subfamily","Type XI RTKs: TAM (TYRO3-","AXL- and MER-
TK) receptor family","Type II RTKs: Insulin receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Src family","TAK1 subfamily","Type V RTKs: FGF (fibroblast growth factor) receptor 
family","Type I receptor serine/threonine kinases","Type II receptor serine/threonine kinases","MLK subfamily","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XIX RTKs: Leukocyte t
yrosine kinase (LTK) receptor family","Type XIII RTKs: Ephrin receptor family","Abl family","Fer family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Tec family","Janus kinase (JakA)
 family","Type XVI RTKs: DDR (collagen receptor) family","Type XII RTKs: TIE family of angiopoietin receptors","Type XIV RTKs: RET","Syk family","Csk family","Type VII RTKs: Neurotrophin receptor/Trk 
family","LZK subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Ack family","Other PEK family kinases","Fak family","Meta subfamily","Type IX RTKs: MuSK","GCN2 subfa
mily"}

> <pathway_reactome>
{Hemostasis,"Signal Transduction",Disease,"Cellular responses to external stimuli","Immune System","Cell Cycle","Gene expression (Transcription)","Developmental Biology",Metabolism,"Neuronal System","
Vesicle-mediated transport","Programmed Cell Death","Transport of small molecules","Metabolism of proteins","Extracellular matrix organization","Circadian Clock","DNA Repair","Metabolism of RNA","Musc
le contraction","Organelle biogenesis and maintenance",Autophagy,"Cell surface interactions at the vascular wall","Intracellular signaling by second messengers","Diseases of signal transduction by gro
wth factor receptors and second messengers","Cellular responses to stress","Innate Immune System",Mitotic,"Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Infectious disease
","Signaling by Rho GTPases","Signaling by NODAL","Metabolism of lipids","Signaling by TGFB family members","Nervous system development","Signaling by Hippo","Signaling by GPCR","Transmission across C
hemical Synapses","Membrane Trafficking",Apoptosis,"Ion channel transport","Unfolded Protein Response (UPR)","Signaling by Hedgehog","Cytokine Signaling in Immune system","Non-integrin membrane-ECM in
teractions","MAPK family signaling cascades","Adaptive Immune System","DNA Double-Strand Break Repair","Signaling by Non-Receptor Tyrosine Kinases","Platelet homeostasis","rRNA processing","Cardiac co
nduction","Metabolism of carbohydrates","ECM proteoglycans","Cell Cycle Checkpoints","Cilium Assembly","MTOR signalling",Macroautophagy,"PIP3 activates AKT signaling","Signaling by KIT in disease","Ce
llular Senescence","Toll-like Receptor Cascades","Mitotic G2-G2/M phases","Signaling by NTRKs","Generic Transcription Pathway","HIV Infection","RHO GTPase Effectors","Signaling by FGFR","Regulation of
 signaling by NODAL","Phospholipid metabolism","Signaling by BMP","Signaling by MST1","Signaling by Insulin receptor","Axon guidance","Leishmania infection","Signaling by SCF-KIT","GPCR downstream sig
nalling","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by FGFR in disease","Clathrin-mediated endocytosis","Caspase activation via extrinsic apoptotic signalling pathway
","Apoptotic execution phase","Stimuli-sensing channels","IRE1alpha activates chaperones","Hedgehog 'on' state","Interferon Signaling","Fc epsilon receptor (FCERI) signaling","Signaling by Type 1 Insu
lin-like Growth Factor 1 Receptor (IGF1R)","Sphingolipid metabolism","Signaling by Interleukins","MAPK6/MAPK4 signaling","MAPK1/MAPK3 signaling","TCR signaling","M Phase","Oncogenic MAPK signaling","H
omology Directed Repair","Signaling by PTK6","trans-Golgi Network Vesicle Budding","Nitric oxide stimulates guanylate cyclase","Signaling by WNT in cancer","Signaling by VEGF","rRNA processing in the 
nucleus and cytosol","Influenza Infection","Regulation of mitotic cell cycle","Signaling by ERBB2","Mitotic G1 phase and G1/S transition","Ion homeostasis","Glycogen metabolism","Neutrophil degranulat
ion","G2/M Checkpoints","Response of EIF2AK4 (GCN2) to amino acid deficiency","Anchoring of the basal body to the plasma membrane","mTORC1-mediated signalling","Selective autophagy","Signaling by PDGF
R in disease","Negative regulation of the PI3K/AKT network","Drug resistance of KIT mutants","Oxidative Stress Induced Senescence","Toll Like Receptor 2 (TLR2) Cascade","G2/M Transition","Signaling by
 NTRK1 (TRKA)","Transcriptional Regulation by TP53","Host Interactions of HIV factors","RHO GTPases activate PKNs","Toll Like Receptor 4 (TLR4) Cascade","Signaling by FGFR4","PI Metabolism","Insulin r
eceptor signalling cascade","EPH-Ephrin signaling","Parasite infection","G alpha (q) signalling events","Activation of NMDA receptors and postsynaptic events","Semaphorin interactions","Toll Like Rece
ptor 5 (TLR5) Cascade","Signaling by FGFR3 in disease","Cargo recognition for clathrin-mediated endocytosis","Caspase activation via Dependence Receptors in the absence of ligand","Signaling by ROBO r
eceptors","Apoptotic cleavage of cellular proteins","Leishmania parasite growth and survival","L1CAM interactions","PTEN Regulation","Antiviral mechanism by IFN-stimulated genes","FCERI mediated Ca+2 
mobilization","Interferon alpha/beta signaling","RHO GTPases activate CIT","IGF1R signaling cascade","Sphingolipid de novo biosynthesis","Interleukin-1 family signaling","G alpha (i) signalling events
","RAF/MAP kinase cascade","RET signaling","Signaling by FGFR1 in disease","Generation of second messenger molecules","Mitotic Prophase","Signaling by RAS mutants","HDR through Homologous Recombinatio
n (HRR) or Single Strand Annealing (SSA)","PTK6 promotes HIF1A stabilization","Golgi Associated Vesicle Biogenesis","RHO GTPases activate PAKs","Mitotic Metaphase and Anaphase","cGMP effects","Transcr
iptional regulation by RUNX1","Signaling by AMER1 mutants","VEGFA-VEGFR2 Pathway","Major pathway of rRNA processing in the nucleolus and cytosol","NS1 Mediated Effects on Host Pathways","APC/C-mediate
d degradation of cell cycle proteins","HIV Life Cycle","VEGF ligand-receptor interactions","Downregulation of ERBB2 signaling","Interleukin-2 family signaling","G1 Phase","Glycogen breakdown (glycogen
olysis)","G2/M DNA damage checkpoint","Signaling by FGFR2 in disease","PTK6 Down-Regulation","G0 and Early G1","Signaling by NTRK3 (TRKC)","Transcriptional Regulation by VENTX",Mitophagy,"Drug resista
nce of PDGFR mutants",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Dasatinib-resistant KIT mutants","Toll Like Receptor TLR6:TLR2 Cascade","Centrosome maturation","Signalling to ERK5","Regulation
 of TP53 Activity","The role of Nef in HIV-1 replication and disease pathogenesis","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","MyD88-independent 
TLR4 cascade","Downstream signaling of activated FGFR4","Synthesis of PIPs at the plasma membrane","IRS-mediated signalling","EPHA-mediated growth cone collapse","EPHB-mediated forward signaling","Lei
shmania phagocytosis","Gastrin-CREB signalling pathway via PKC and MAPK","Post NMDA receptor activation events","Sema4D in semaphorin signaling","MyD88 cascade initiated on plasma membrane","Signaling
 by FGFR3 point mutants in cancer","Role of ABL in ROBO-SLIT signaling","CRMPs in Sema3A signaling","Anti-inflammatory response favouring Leishmania parasite infection","Signalling to ERKs","Recycling
 pathway of L1","Activation of RAC1","Regulation of PTEN stability and activity","ISG15 antiviral mechanism","Regulation of IFNA signaling","IRS-related events triggered by IGF1R","Interleukin-1 signa
ling","Visual phototransduction","FGFR1 mutant receptor activation","Nuclear Envelope Breakdown","Signaling downstream of RAS mutants","HDR through Homologous Recombination (HRR)","Activation of TRKA 
receptors","RAS processing","Mitotic Anaphase","RUNX1 regulates transcription of genes involved in BCR signaling","Truncations of AMER1 destabilize the destruction complex","VEGFR2 mediated cell proli
feration","Inhibition of PKR","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Late Phase of HIV Life Cycle","VEGF binds to VEGFR leading to receptor dimerization","Inte
rleukin-15 signaling","Interleukin-2 signaling","Cyclin D associated events in G1","Ephrin signaling","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","FGFR2 mutant receptor activation
","Activated NTRK3 signals through PI3K","Receptor Mediated Mitophagy","Imatinib-resistant PDGFR mutants","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Loss of proteins required for interph
ase microtubule organization from the centrosome","Regulation of TP53 Activity through Phosphorylation","Nef and signal transduction","TRIF(TICAM1)-mediated TLR4 signaling","FRS-mediated FGFR4 signali
ng","Regulation of TP53 Expression and Degradation","PI3K Cascade","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","CREB1 phosphorylation through NMDA receptor-mediated activation of 
RAS signaling","Sema4D mediated inhibition of cell attachment and migration","MAP kinase activation","FGFR3 mutant receptor activation","Activation of RAC1 downstream of NMDARs","Regulation of TP53 Ac
tivity through Acetylation","FCGR3A-mediated IL10 synthesis","Prolonged ERK activation events","The phototransduction cascade","Signaling by activated point mutants of FGFR1","Activation of NIMA Kinas
es NEK9",NEK6,NEK7,"Sema4D induced cell migration and growth-cone collapse","Homologous DNA Pairing and Strand Exchange","NGF-independant TRKA activation","Separation of Sister Chromatids","ADORA2B me
diated anti-inflammatory cytokines production","Signalling to RAS","APC/C:Cdc20 mediated degradation of mitotic proteins","Transcription of the HIV genome","Activation of AMPK downstream of NMDARs","A
ctivated point mutants of FGFR2","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Loss of Nlp from mitotic centrosomes","TRAF6-mediated induction of TA
K1 complex within TLR4 complex","Regulation of TP53 Degradation","Ras activation upon Ca2+ influx through NMDA receptor","MAPK targets/ Nuclear events mediated by MAP kinases","Signaling by activated 
point mutants of FGFR3","activated TAK1 mediates p38 MAPK activation","PI5P Regulates TP53 Acetylation","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","Frs2-med
iated activation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon",Inactivation,"recovery and regulation of the phototransduction cascade","RSK activation","Presynaptic phase of homologous DNA p
airing and strand exchange","p38MAPK events","ARMS-mediated activation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","HIV Transcription Elo
ngation","IKK complex recruitment mediated by RIP1","Nef Mediated CD4 Down-regulation","CREB phosphorylation","Activation of the AP-1 family of transcription factors","ERK/MAPK targets","APC-Cdc20 med
iated degradation of Nek2A","Tat-mediated elongation of the HIV-1 transcript","ERKs are inactivated","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{KW-2449,KW2449,1000669-72-6,1000669726,"KW 2449",(E)-(4-(2-(1H-indazol-3-yl)vinyl)phenyl)(piperazin-1-yl)methanone,(E)(4(2(1Hindazol3yl)vinyl)phenyl)(piperazin1yl)methanone,UNII-2D9N67F58G,UNII2D9N67
F58G,CHEMBL1908397,(4-((E)-2-(1H-indazol-3-yl)ethenyl)phenyl)-piperazin-1-ylmethanone,(4((E)2(1Hindazol3yl)ethenyl)phenyl)piperazin1ylmethanone,2D9N67F58G,"897016-82-9 (free base)","897016829 (free ba
se)",841258-76-2,841258762,T2341,S2158}

> <pdid>
PD003499

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

> <classes>
{Apoptosis,Cell Cycle/DNA Damage,Epigenetics,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{11427553}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 36 39  0  0  0  0            999 V2000
   -6.5549   14.2435    0.0000 C   0  0
   -6.5458   12.7435    0.0000 N   0  0
   -5.2423   12.0014    0.0000 C   0  0
   -5.2332   10.5014    0.0000 C   0  0
   -6.5277    9.7436    0.0000 N   0  0
   -7.8313   10.4858    0.0000 C   0  0
   -7.8403   11.9857    0.0000 C   0  0
   -6.5187    8.2429    0.0000 C   0  0
   -5.2163    7.4985    0.0000 C   0  0
   -5.2097    5.9985    0.0000 C   0  0
   -6.5054    5.2428    0.0000 C   0  0
   -6.5018    3.7420    0.0000 N   0  0
   -7.7993    2.9876    0.0000 C   0  0
   -9.1021    3.7310    0.0000 N   0  0
  -10.3974    2.9744    0.0000 C   0  0
  -10.3898    1.4745    0.0000 C   0  0
  -11.6850    0.7179    0.0000 C   0  0
   -9.0870    0.7310    0.0000 C   0  0
   -9.0763   -0.7698    0.0000 N   0  0
   -7.7717   -1.5117    0.0000 C   0  0
   -7.7589   -3.0117    0.0000 C   0  0
   -6.4535   -3.7506    0.0000 C   0  0
   -5.1609   -2.9896    0.0000 C   0  0
   -5.1737   -1.4897    0.0000 C   0  0
   -6.4790   -0.7508    0.0000 C   0  0
   -3.8804   -0.7282    0.0000 S   0  0
   -3.8936    0.7717    0.0000 O   0  0
   -2.5881    0.0334    0.0000 O   0  0
   -2.5738   -1.4667    0.0000 N   0  0
   -1.2805   -0.7053    0.0000 C   0  0
    0.0254   -1.4434    0.0000 C   0  0
   -1.2937    0.7947    0.0000 C   0  0
    0.0118    0.0563    0.0000 C   0  0
   -7.7918    1.4876    0.0000 N   0  0
   -7.8077    5.9870    0.0000 C   0  0
   -7.8144    7.4870    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 24 26  1  0
 26 27  2  0
 26 28  2  0
 26 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 30 33  1  0
 18 34  2  0
 34 13  1  0
 11 35  1  0
 35 36  2  0
 36  8  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13863

> <plate>
PLATE 003

> <well>
A3

> <supplier_cmpd_name>
TG101209

> <ctcr_id>
5042

> <supplier_cmpd_id>
T3065

> <smiles>
CN1CCN(CC1)c2ccc(Nc3ncc(C)c(Nc4cccc(c4)[S](=O)(=O)NC(C)(C)C)n3)cc2

> <pd_targets>
{BRDT,BRD4,FLT3,JAK2,WEE1,ALK}

> <pathway_gtopdb>
{"Epigenetic regulator",Enzyme,Reader,Kinase,Bromodomain,"Protein Kinase","TK protein kinase group","Other protein kinase group","TKL protein kinase group","Tyrosine protein kinase PDGFR family","Tyro
sine protein kinase JakA family","Other protein kinase WEE family","TKL protein kinase STKR family","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,"Bromodomain-containing proteins","Chromatin modifying enzymes","Catalytic receptors","Non-enzymatic BRD containing proteins","Enzymatic bromodomain-containi
ng proteins","Receptor kinases","Bromodomain kinase (BRDK) family","TK: Tyrosine kinase","Other protein kinases","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","WEE family"
,"Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Janus kinase (JakA) family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Cell Cycle","Infectious disease","Signaling by Receptor Tyrosine Kinases",Mitotic,"Cell Cycle Checkpoints","SARS-CoV Infections","Signaling by Insulin receptor","Mitoti
c G1 phase and G1/S transition","G2/M Checkpoints","Potential therapeutics for SARS","Insulin receptor signalling cascade","G1 Phase","G2/M DNA damage checkpoint","IRS-mediated signalling","Cyclin D a
ssociated events in G1","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","PI3K Cascade"}

> <broad_targets>
{JAK2,JAK3}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{TG101209,936091-14-4,936091144,TG-101209,"TG 101209",CHEBI:90304,C26H35N7O2S,1M3,Kinome_702,Kinome702,Kinome-702,"Kinome 702",cc-108,cc108,MLS006011064,SCHEMBL265061,CHEMBL1995703,AMY9224,DTXSID80587
364,SYN1103,BDBM192755,HMS3656B15,AOB87369,BCP02514,EX-A1753,EXA1753,ABP000835,MFCD15528085,s2692,ZINC635398,T3065,SY-TG101209,S2692}

> <pdid>
PD010884

> <targets>
{JAK,Flt,JAK2,FLT3,c-RET,Apoptosis,Autophagy,RET}

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

> <pubchem_cids>
{16722832}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
   -1.3109   -5.2364    0.0000 C   0  0
   -0.0156   -5.9927    0.0000 S   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -5.1968    1.5003    0.0000 C   0  0
   -5.1993    3.0004    0.0000 C   0  0
   -3.9015    3.7525    0.0000 Cl  0  0
   -6.4995    3.7483    0.0000 C   0  0
   -7.7974    2.9963    0.0000 C   0  0
   -7.7950    1.4963    0.0000 C   0  0
   -6.4948    0.7483    0.0000 C   0  0
   -6.4924   -0.7517    0.0000 Cl  0  0
    1.2935   -3.7495    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 12  1  0
 19 20  2  0
 20  9  1  0
 14 21  1  0
 21 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 21  1  0
 27 28  1  0
  7 29  2  0
 29  3  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13864

> <plate>
PLATE 003

> <well>
A4

> <supplier_cmpd_name>
PD-173955

> <ctcr_id>
526

> <supplier_cmpd_id>
T3063

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

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

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

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

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

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD007860

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

> <classes>
{}

> <pubchem_cids>
{447077}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 26 28  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 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
  -10.3875   -1.5257    0.0000 C   0  0
  -10.3802   -3.0265    0.0000 C   0  0
  -11.5877   -3.8947    0.0000 C   0  0
  -13.0148   -3.4326    0.0000 O   0  0
  -11.1143   -5.3181    0.0000 N   0  0
   -9.6143   -5.3077    0.0000 C   0  0
   -8.7243   -6.5150    0.0000 O   0  0
   -9.1607   -3.8779    0.0000 S   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 25  2  0
 24 26  1  0
 26 20  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13865

> <plate>
PLATE 003

> <well>
A5

> <supplier_cmpd_name>
MSDC-0160

> <ctcr_id>
13192

> <supplier_cmpd_id>
T2607

> <smiles>
CCc1cnc(cc1)C(=O)COc1ccc(cc1)CC1C(=O)NC(=O)S1

> <pd_targets>
{MPC2,CYP2C8,MPC1,CYP2C9,PPARG}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Transcription factor","Cytochrome P450","Nuclear receptor","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 2C","Nuclear hormon
e receptor subfamily 1 group C","Cytochrome P450 2C8","Cytochrome P450 2C9","Nuclear hormone receptor subfamily 1 group C member 3"}

> <pathway_chembl>
{Transporters,Enzymes,Receptors,"SLC superfamily of solute carriers","Cytochrome P450","Nuclear hormone receptors","SLC54 Mitochondrial pyruvate carriers","CYP2 family: drug metabolising subset","1C. 
Peroxisome proliferator-activated receptors"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","The citric acid (TCA) cycle and respiratory electron transport","Biological oxidations","RNA Polymerase II Transcription","Pyruvate metabolism and Citric
 Acid (TCA) cycle","Phase I - Functionalization of compounds","Generic Transcription Pathway","Pyruvate metabolism","Cytochrome P450 - arranged by substrate type","Transcriptional Regulation by MECP2"
,Xenobiotics,"MECP2 regulates transcription factors","CYP2E1 reactions"}

> <broad_targets>
{}

> <broad_moa>
{"insulin sensitizer"}

> <synonyms>
{SDC016,Mitoglitazone,146062-49-9,146062499,MSDC-0160,MSDC0160,CAY10415,"5-(4-(2-(5-ethylpyridin-2-yl)-2-oxoethoxy)benzyl)thiazolidine-2,4-dione","5(4(2(5ethylpyridin2yl)2oxoethoxy)benzyl)thiazolidine
2,4dione","CAY 10415","MSDC 0160","5-(4-(2-(5-Ethylpyridin-2-yl)-2-oxoethoxy)-benzyl)thiazolidine-2,4-dione","5(4(2(5Ethylpyridin2yl)2oxoethoxy)benzyl)thiazolidine2,4dione",U-91325,U91325,CAY-10415,MS
D-9,MSD9,SCH,T2607}

> <pdid>
PD020684

> <targets>
{mTOT,Insulin Receptor,Mitochondrial Metabolism}

> <classes>
{Others,Metabolic Enzyme/Protease,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{10429242}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.6078    5.9988    0.0000 N   0  0
   -2.6109    7.4996    0.0000 C   0  0
   -3.9100    8.2496    0.0000 N   0  0
   -3.9100    9.7496    0.0000 C   0  0
   -2.6110   10.4997    0.0000 C   0  0
   -2.6111   12.0004    0.0000 N   0  0
   -3.8232   12.8622    0.0000 C   0  0
   -3.3575   14.2880    0.0000 C   0  0
   -1.8575   14.2857    0.0000 N   0  0
   -1.3962   12.8584    0.0000 C   0  0
   -1.3119    9.7497    0.0000 C   0  0
   -1.3119    8.2497    0.0000 N   0  0
   -0.0123   10.5001    0.0000 C   0  0
    1.2857    9.7482    0.0000 C   0  0
    2.5859   10.4961    0.0000 C   0  0
    2.5882   11.9961    0.0000 C   0  0
    3.8884   12.7441    0.0000 Cl  0  0
    1.2904   12.7482    0.0000 C   0  0
   -0.0099   12.0002    0.0000 C   0  0
   -0.8751   12.5016    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  3
    1.2947   -3.7531    0.0000 O   0  5
   -1.3032   -3.7490    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 13  1  0
 12 18  1  0
 18 19  2  0
 19  9  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 23 25  1  0
 25 26  2  0
 26 20  1  0
 26 27  1  0
  4 28  2  0
 28 29  1  0
 29 30  2  0
 30  2  1  0
 30 31  1  0
 31 32  1  0
 31 33  2  0
M  CHG  2  31   1  32  -1
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13866

> <plate>
PLATE 003

> <well>
A6

> <supplier_cmpd_name>
CHIR-98014

> <ctcr_id>
5756

> <supplier_cmpd_id>
T2608

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

> <pd_targets>
{CDK1,GSK3B,GSK3A}

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

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

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

> <broad_targets>
{GSK3A,GSK3B}

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

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

> <pdid>
PD012780

> <targets>
{GSK-3,GSK3}

> <classes>
{}

> <pubchem_cids>
{53396311}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -7.7876   -1.5212    0.0000 C   0  0
   -9.0905   -0.7779    0.0000 O   0  0
   -7.7802   -3.0220    0.0000 N   0  0
   -9.0758   -3.7796    0.0000 C   0  0
   -9.0707   -5.2796    0.0000 C   0  0
  -10.3671   -6.0341    0.0000 C   0  0
  -11.6687   -5.2886    0.0000 C   0  0
  -12.9652   -6.0432    0.0000 C   0  0
  -11.6740   -3.7886    0.0000 C   0  0
  -12.9748   -3.0401    0.0000 N   0  0
  -12.9779   -1.5393    0.0000 C   0  0
  -14.1914   -0.6794    0.0000 S   0  0
  -13.7279    0.7471    0.0000 C   0  0
  -12.2279    0.7472    0.0000 C   0  0
  -11.7644   -0.6794    0.0000 N   0  0
  -11.3458    1.9613    0.0000 C   0  0
  -11.8503    3.3687    0.0000 C   0  0
  -10.8798    4.5124    0.0000 C   0  0
   -9.4040    4.2438    0.0000 C   0  0
   -8.8987    2.8315    0.0000 N   0  0
   -9.8692    1.6877    0.0000 C   0  0
  -10.3776   -3.0341    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 25  2  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 23 36  2  0
 36 18  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13867

> <plate>
PLATE 003

> <well>
A7

> <supplier_cmpd_name>
Masitinib

> <ctcr_id>
1175

> <supplier_cmpd_id>
T2609

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

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

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

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

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

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

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

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

> <pdid>
PD003354

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

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

> <pubchem_cids>
{10074640}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13868

> <plate>
PLATE 003

> <well>
A8

> <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_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    7.7905   -6.0071    0.0000 C   0  0
    6.4915   -5.2571    0.0000 N   0  0
    5.1924   -6.0070    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -3.1884   -2.6409    0.0000 C   0  0
   -4.6234   -3.0602    0.0000 C   0  0
   -4.9781   -4.5176    0.0000 C   0  0
   -3.8933   -5.5536    0.0000 C   0  0
   -2.4537   -5.1320    0.0000 C   0  0
   -1.3661   -6.1662    0.0000 O   0  0
    0.0736   -5.7424    0.0000 C   0  0
    1.1606   -6.7761    0.0000 F   0  0
    0.4258   -4.2843    0.0000 F   0  0
    1.5123   -5.3181    0.0000 F   0  0
   -2.0990   -3.6745    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 13  1  0
 17 18  1  0
 18 10  2  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
 23 29  2  0
 29 19  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13869

> <plate>
PLATE 003

> <well>
A9

> <supplier_cmpd_name>
SGI-1776 free base

> <ctcr_id>
862

> <supplier_cmpd_id>
T3078

> <smiles>
CN1CCC(CC1)CNc2ccc3ncc(n3n2)c4cccc(OC(F)(F)F)c4

> <pd_targets>
{PIM2,PIM1,KCNH2,PIM3,YES1,FLT3,HASPIN}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","CAMK protein kinase group","Voltage-gated potassium channel","TK protein kinase group","Other protein ki
nase group","CAMK protein kinase PIM family","Tyrosine protein kinase Src family","Tyrosine protein kinase PDGFR family","Other protein kinase Haspin family"}

> <pathway_chembl>
{Enzymes,"Ion channels",Receptors,"Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","Potassium channels","Receptor kinases"
,"PIM family","Voltage-gated potassium channels","TK: Tyrosine kinase","Other protein kinases","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Haspin family","Src family","
Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{Disease,"Muscle contraction","Signal Transduction","Diseases of signal transduction by growth factor receptors and second messengers","Cardiac conduction","Infectious disease","Signaling by Receptor 
Tyrosine Kinases","FLT3 signaling in disease","Phase 3 - rapid repolarisation","Leishmania infection","Signaling by Insulin receptor","Signaling by FLT3 ITD and TKD mutants","Leishmania parasite growt
h and survival","Insulin receptor signalling cascade","STAT5 activation downstream of FLT3 ITD mutants","Anti-inflammatory response favouring Leishmania parasite infection","IRS-mediated signalling","
FCGR3A-mediated IL10 synthesis","PI3K Cascade"}

> <broad_targets>
{FLT3,PIM1,PIM2,PIM3}

> <broad_moa>
{"Pim kinase inhibitor"}

> <synonyms>
{SGI-1776,SGI1776,1025065-69-3,1025065693,"SGI-1776 free base","SGI1776 free base","SGI 1776",UNII-72AUA0603W,UNII72AUA0603W,CHEMBL1952329,72AUA0603W,CHEMBL1952141,"SGI 1776 free base",cc-574,cc574,ML
S006011076,SCHEMBL102498,GTPL8784,CHEBI:95061,AOB2259,DTXSID10647329,QCR-216,QCR216,HMS3655P08,HMS3672I15,HMS,T3078,S2198}

> <pdid>
PD010831

> <targets>
{Pim,Apoptosis,Autophagy}

> <classes>
{JAK/STAT,Apoptosis,Autophagy,JAK/STAT Signaling}

> <pubchem_cids>
{24795070}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    4.2146   -6.5095    0.0000 C   0  0
    3.3372   -5.2929    0.0000 C   0  0
    3.8056   -3.8679    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3039    3.7494    0.0000 N   0  0
    1.3092    5.2494    0.0000 C   0  0
    2.6108    5.9949    0.0000 C   0  0
    3.9072    5.2405    0.0000 O   0  0
    3.9020    3.7405    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -4.6588   -2.9478    0.0000 C   0  0
   -5.6590   -1.8298    0.0000 C   0  0
   -7.1272   -2.1369    0.0000 C   0  0
   -7.5954   -3.5619    0.0000 C   0  0
   -9.0636   -3.8690    0.0000 Cl  0  0
   -6.5954   -4.6799    0.0000 C   0  0
   -5.1271   -4.3729    0.0000 C   0  0
   -4.1271   -5.4909    0.0000 F   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.3786   -3.8595    0.0000 N   0  0
    1.8372   -5.2877    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
  8 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 22  1  0
 28 29  1  0
 20 30  1  0
 30 16  1  0
 30 31  1  0
 31  6  2  0
  4 32  2  0
 32 33  1  0
 33  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13870

> <plate>
PLATE 003

> <well>
A10

> <supplier_cmpd_name>
Gandotinib

> <ctcr_id>
5527

> <supplier_cmpd_id>
T2638

> <smiles>
Cc1cc(Nc2cc(CN3CCOCC3)c4nc(C)c(Cc5ccc(Cl)cc5F)n4n2)n[nH]1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{GANDOTINIB,LY2784544,1229236-86-5,1229236865,"LY 2784544",LY-2784544,"Gandotinib (LY2784544)",UNII-ANC71R916O,UNIIANC71R916O,ANC71R916O,C23H25ClFN7O,"Gandotinib (USAN:INN)",LY2784544(Gandotinib),"Gan
dotinib (USAN)",cc-18,cc18,LY2784544;Gandotinib,Gandotinib(LY2784544),Gandot,T2638,S2179,Gandotinib}

> <pdid>

> <targets>
{JAK}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{46213929}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 34 37  0  0  1  0            999 V2000
    5.1887   -6.0105    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 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
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0  2  0  0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0  2  0  0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
   -2.5795   -7.5040    0.0000 O   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -3.8976    0.7553    0.0000 O   0  0
   -2.5951    3.0039    0.0000 N   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8912    5.2578    0.0000 C   0  0
   -5.1876    6.0124    0.0000 C   0  0
   -5.1824    7.5124    0.0000 C   0  0
   -3.8808    8.2579    0.0000 C   0  0
   -3.8756    9.7586    0.0000 N   0  0
   -5.0848   10.6246    0.0000 C   0  0
   -4.6141   12.0488    0.0000 C   0  0
   -3.1141   12.0412    0.0000 N   0  0
   -2.6578   10.6123    0.0000 C   0  0
   -2.5844    7.5034    0.0000 C   0  0
   -2.5896    6.0034    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
 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
 15 18  1  6
 10 19  2  0
 19  6  1  0
  9 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 28  1  0
 27 33  1  0
 33 34  2  0
 34 24  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13871

> <plate>
PLATE 003

> <well>
A11

> <supplier_cmpd_name>
UNC2881

> <ctcr_id>
12813

> <supplier_cmpd_id>
T2629

> <smiles>
CCCCNc1ncc(c(N[C@@H]2CC[C@H](CC2)O)n1)C(=O)NCc1ccc(n2ccnc2)cc1

> <pd_targets>
{TYRO3,MERTK,AXL}

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

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

> <pathway_reactome>
{Hemostasis,"Signal Transduction","Cell surface interactions at the vascular wall","Signaling by Receptor Tyrosine Kinases","Signaling by VEGF","VEGFA-VEGFR2 Pathway"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{UNC2881,1493764-08-1,1493764081,CHEMBL3093756,SCHEMBL16435501,SCHEMBL17167888,AOB6195,C25H33N7O2,HMS3653M12,HMS3747I07,BCP12436,EX-A2176,EXA2176,"UNC 2881",UNC-2881,UNC-2882,UNC2882,2784AH,BDBM504442
41,s7325,AKOS024464756,AKOS026750571,ZINC103239230,ZINC205861137,ZINC252586,T2629}

> <pdid>
PD010351

> <targets>
{"TAM Receptor",AXL,Mer,Tyro3}

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

> <pubchem_cids>
{71721525}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 34 38  0  0  0  0            999 V2000
    2.5795   -7.5040    0.0000 C   0  0
    2.5847   -6.0040    0.0000 N   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 O   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 Br  0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -2.5764   -7.5048    0.0000 O   0  0
   -1.2730   -8.2489    0.0000 C   0  0
   -1.2625   -9.7489    0.0000 C   0  0
    0.0417  -10.4898    0.0000 C   0  0
    1.3355   -9.7309    0.0000 C   0  0
    1.3251   -8.2309    0.0000 C   0  0
    0.0209   -7.4899    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  2  3
 17 11  1  0
 17 18  1  0
 12 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  2  3
 24 25  1  0
 25 26  1  0
 26 27  2  3
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  2  3
 31 26  1  0
 24 32  1  0
 32 33  2  3
 33 21  1  0
 19 34  2  3
 34  9  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13872

> <plate>
PLATE 003

> <well>
B2

> <supplier_cmpd_name>
G-749

> <ctcr_id>
11448

> <supplier_cmpd_id>
T2620

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

> <pd_targets>
{MERTK,FLT3}

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

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

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

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD021556

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

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

> <pubchem_cids>
{78357765}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 41 45  0  0  0  0            999 V2000
   16.8691   10.2322    0.0000 C   0  0
   15.4464    9.7570    0.0000 N   0  0
   15.1454    8.2867    0.0000 C   0  0
   16.2680    7.2918    0.0000 O   0  0
   13.7219    7.8112    0.0000 C   0  0
   13.4190    6.3421    0.0000 C   0  0
   11.9952    5.8698    0.0000 C   0  0
   11.6892    4.4005    0.0000 O   0  0
   10.2640    3.9300    0.0000 C   0  0
    9.9560    2.4620    0.0000 C   0  0
    8.5307    1.9947    0.0000 C   0  0
    7.4132    2.9954    0.0000 C   0  0
    5.9880    2.5249    0.0000 N   0  0
    5.6819    1.0557    0.0000 C   0  0
    6.8010    0.0568    0.0000 O   0  0
    4.2567    0.5852    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    4.2010   -3.2956    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    4.8082   -4.6653    0.0000 C   0  0
    6.2996   -4.8254    0.0000 C   0  0
    3.9242   -5.8772    0.0000 C   0  0
    5.4155   -6.0369    0.0000 C   0  0
    7.7213    4.4634    0.0000 C   0  0
    6.6039    5.4642    0.0000 F   0  0
    9.1466    4.9307    0.0000 C   0  0
   10.8744    6.8668    0.0000 C   0  0
   11.1773    8.3359    0.0000 C   0  0
   12.6010    8.8081    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 17  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 25  1  0
 30 31  2  0
 31 22  1  0
 19 32  1  0
 32 33  1  0
 32 34  1  0
 32 35  1  0
 12 36  1  0
 36 37  1  0
 36 38  2  0
 38  9  1  0
  7 39  2  0
 39 40  1  0
 40 41  2  0
 41  5  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13873

> <plate>
PLATE 003

> <well>
B3

> <supplier_cmpd_name>
DCC-2036

> <ctcr_id>
6197

> <supplier_cmpd_id>
T2640

> <smiles>
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(nn3c4ccc5ncccc5c4)C(C)(C)C)c(F)c2)ccn1

> <pd_targets>
{YES1,ABL1,FLT3,TEK,KDR,LYN,BCR,NTRK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Atypical protein kinase group","Tyrosine protein kinase Src family","Tyrosine protein kinase Abl family","Tyrosine protein kinase PDGFR famil
y","Tyrosine protein kinase Tie family","Tyrosine protein kinase VEGFR family","Atypical protein kinase BCR family","Tyrosine protein kinase Trk family"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases",Atypical,"TK: Tyrosine kinase","BCR family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)
","Src family","Abl family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Type IV RTKs: VEGF (vascular endothelial growth factor) recept
or family","Type VII RTKs: Neurotrophin receptor/Trk family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Infectious disease","Signaling by Receptor Tyrosine Kinases","MAPK family signaling cascades","Diseases of signal transduction by growth factor receptors and second mes
sengers","Leishmania infection","Signaling by Insulin receptor","MAPK1/MAPK3 signaling","Signaling by VEGF","Signaling by FGFR in disease","Signaling by NTRKs","Leishmania parasite growth and survival
","Parasite infection","Insulin receptor signalling cascade","RAF/MAP kinase cascade","VEGFA-VEGFR2 Pathway","Signaling by FGFR1 in disease","Signaling by NTRK1 (TRKA)","Anti-inflammatory response fav
ouring Leishmania parasite infection","Leishmania phagocytosis","IRS-mediated signalling","VEGFR2 mediated cell proliferation","FGFR1 mutant receptor activation","Signalling to ERKs","FCGR3A-mediated 
IL10 synthesis","FCGR3A-mediated phagocytosis","PI3K Cascade","Signaling by cytosolic FGFR1 fusion mutants","Prolonged ERK activation events","ARMS-mediated activation"}

> <broad_targets>
{ABL1,BCR,FGR,FLT3,HCK,LYN,SRC}

> <broad_moa>
{"Bcr-Abl kinase inhibitor","TIE tyrosine kinase inhibitor","VEGFR inhibitor"}

> <synonyms>
{"DCC-2036 (Rebastinib)","DCC2036 (Rebastinib)","DCC 2036",REBASTINIB,DCC-2036,DCC2036,1020172-07-9,1020172079,CHEBI:62166,UNII-75017Q6I97,UNII75017Q6I97,DP-1919,DP1919,75017Q6I97,"Rebastinib (USAN:IN
N)",3qri,3qrj,"Rebastinib (USAN)","DP 1919",Rebastinib/DCC-2036,Rebastinib/DCC2036,"DCC-2036; Rebastinib","DCC2036; Rebastinib",Rebastinib(DCC-2036),Rebastinib(DCC2036),cc-606,cc606,T2640,S2634}

> <pdid>
PD010907

> <targets>
{Bcr-Abl,Apoptosis,FLT3,Src}

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

> <pubchem_cids>
{25066467}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.6012    3.0008    0.0000 N   0  0
   -3.9020    3.7494    0.0000 C   0  0
   -3.9073    5.2494    0.0000 C   0  0
   -5.2089    5.9949    0.0000 C   0  0
   -6.5053    5.2404    0.0000 C   0  0
   -6.5002    3.7404    0.0000 C   0  0
   -5.1985    2.9949    0.0000 C   0  0
   -7.8070    5.9859    0.0000 Cl  0  0
   -5.2141    7.4949    0.0000 Cl  0  0
   -2.6109    6.0039    0.0000 F   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8915    3.7585    0.0000 C   0  0
    3.8863    5.2585    0.0000 C   0  0
    2.5847    6.0040    0.0000 N   0  0
    1.2883    5.2495    0.0000 C   0  0
    1.2934    3.7495    0.0000 C   0  0
    2.5764    7.5048    0.0000 C   0  0
    3.8715    8.2616    0.0000 O   0  0
    1.2730    8.2489    0.0000 C   0  0
    1.2647    9.7488    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  6  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 16 21  1  0
 15 22  1  0
  4 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 27 30  1  0
 30 31  2  0
 30 32  1  0
 32 33  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13874

> <plate>
PLATE 003

> <well>
B4

> <supplier_cmpd_name>
Poziotinib

> <ctcr_id>
11529

> <supplier_cmpd_id>
T2630

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

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

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

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

> <broad_targets>
{EGFR,ERBB2,ERBB4}

> <broad_moa>
{"EGFR inhibitor"}

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

> <pdid>
PD012535

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

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

> <pubchem_cids>
{25127713}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 43 47  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8915    3.7585    0.0000 N   0  0
    3.8863    5.2585    0.0000 C   0  0
    2.5847    6.0040    0.0000 C   0  0
    2.5795    7.5040    0.0000 Cl  0  0
    1.2883    5.2495    0.0000 C   0  0
   -0.0156    5.9927    0.0000 N   0  0
   -1.3117    5.2360    0.0000 C   0  0
   -2.6160    5.9769    0.0000 C   0  0
   -2.6295    7.4777    0.0000 O   0  0
   -3.9348    8.2168    0.0000 C   0  0
   -3.9098    5.2179    0.0000 C   0  0
   -3.8994    3.7180    0.0000 C   0  0
   -2.5952    2.9770    0.0000 C   0  0
   -1.3014    3.7360    0.0000 C   0  0
   -5.1939    2.9586    0.0000 N   0  0
   -6.4993    3.6975    0.0000 C   0  0
   -7.7919    2.9365    0.0000 C   0  0
   -7.7792    1.4365    0.0000 N   0  0
   -6.4738    0.6976    0.0000 C   0  0
   -5.1812    1.4586    0.0000 C   0  0
   -9.0709    0.6724    0.0000 C   0  0
   -9.0560   -0.8275    0.0000 O   0  0
  -10.3776    1.4090    0.0000 C   0  0
    1.2934    3.7495    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 N   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 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
   -6.4870   -5.2597    0.0000 O   0  0
   -7.7931   -3.0141    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 14 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 13  1  0
 18 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 24 27  1  0
 27 28  2  0
 27 29  1  0
 11 30  2  0
 30  6  1  0
  4 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34  3  1  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  2  0
 41 43  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13875

> <plate>
PLATE 003

> <well>
B5

> <supplier_cmpd_name>
KRCA-0008

> <ctcr_id>
12629

> <supplier_cmpd_id>
T2641

> <smiles>
COc1c(Nc2ncc(Cl)c(Nc3c(OC)cc(cc3)N3CCN(CC3)C(=O)C)n2)ccc(c1)N1CCN(CC1)C(=O)C

> <pd_targets>
{ALK}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family"}

> <pathway_reactome>
{}

> <broad_targets>
{ALK}

> <broad_moa>
{"ALK inihibitor"}

> <synonyms>
{RCA000,KRCA-0008,KRCA0008,1472795-20-2,1472795202,"KRCA 0008",C30H37ClN8O4,CHEMBL3941724,SCHEMBL16769540,AOB2894,BDBM193425,BCP16229,EX-A2236,EXA2236,3767AH,ZINC98052704,AKOS024458493,CS-3341,CS3341,
NCGC00379254-03,NCGC0037925403,AK547420,BS-15807,BS15807,HY-12331,HY12331,"US9199944, 7",T2641}

> <pdid>
PD012987

> <targets>
{ACK,ALK,Ack1}

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

> <pubchem_cids>
{72547474}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 38 40  0  0  0  0            999 V2000
    6.4833   -9.7648    0.0000 C   0  0
    6.4855   -8.2648    0.0000 C   0  0
    5.1873   -7.5117    0.0000 N   0  0
    3.8847   -8.2572    0.0000 C   0  0
    2.5880   -7.5031    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1953   -1.5031    0.0000 N   0  0
   -5.1932   -3.0039    0.0000 C   0  0
   -3.8928   -3.7517    0.0000 O   0  0
   -6.4914   -3.7570    0.0000 N   0  0
   -6.4892   -5.2579    0.0000 C   0  0
   -7.7867   -6.0105    0.0000 C   0  0
   -6.4864   -6.7579    0.0000 C   0  0
   -5.1889   -6.0056    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -5.1968    1.5003    0.0000 C   0  0
   -5.1993    3.0004    0.0000 C   0  0
   -6.4995    3.7483    0.0000 C   0  0
   -6.5050    5.2492    0.0000 O   0  0
   -7.8063    5.9952    0.0000 C   0  0
   -7.7974    2.9963    0.0000 C   0  0
   -7.7950    1.4963    0.0000 C   0  0
   -9.0920    0.7411    0.0000 O   0  0
   -9.0875   -0.7589    0.0000 C   0  0
   -6.4948    0.7483    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 22 25  1  0
 17 26  2  0
 26 27  1  0
 27 14  1  0
 27 28  2  0
 28 11  1  0
 16 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 31 34  2  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 35 38  2  0
 38 29  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13876

> <plate>
PLATE 003

> <well>
B6

> <supplier_cmpd_name>
PD173074

> <ctcr_id>
5906

> <supplier_cmpd_id>
T2642

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

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

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

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

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

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

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

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

> <pdid>
PD011036

> <targets>
{FGFR,VEGFR,Apoptosis}

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

> <pubchem_cids>
{1401}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 33 37  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -6.4939    0.7411    0.0000 N   0  0
   -6.4894   -0.7597    0.0000 C   0  0
   -7.7846   -1.5163    0.0000 C   0  0
   -7.7770   -3.0163    0.0000 C   0  0
   -6.4742   -3.7597    0.0000 C   0  0
   -5.1790   -3.0032    0.0000 C   0  0
   -5.1866   -1.5032    0.0000 C   0  0
   -6.4667   -5.2605    0.0000 N   0  0
   -7.7607   -6.0192    0.0000 C   0  0
   -7.7507   -7.5192    0.0000 C   0  0
   -6.4467   -8.2605    0.0000 O   0  0
   -5.1527   -7.5019    0.0000 C   0  0
   -5.1627   -6.0019    0.0000 C   0  0
   -3.8967    0.7484    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    4.0312   -5.2378    0.0000 C   0  0
    5.4984   -5.5497    0.0000 C   0  0
    6.2484   -4.2507    0.0000 C   0  0
    5.2447   -3.1359    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 22  1  0
 14 28  2  0
 28 10  1  0
  2 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 29  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13877

> <plate>
PLATE 003

> <well>
B7

> <supplier_cmpd_name>
XL019

> <ctcr_id>
2143

> <supplier_cmpd_id>
T3072

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

> <pd_targets>
{JAK3,JAK2,JAK1}

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

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

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

> <broad_targets>
{JAK1,JAK2,JAK3}

> <broad_moa>
{"JAK inhibitor"}

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

> <pdid>
PD010645

> <targets>
{JAK}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{57990770}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13878

> <plate>
PLATE 003

> <well>
B8

> <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_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -9.0998    3.7409    0.0000 C   0  0
  -10.3985    2.9886    0.0000 C   0  0
  -10.3933    1.4885    0.0000 C   0  0
  -11.6898    0.7340    0.0000 N   0  0
  -12.9914    1.4795    0.0000 C   0  0
  -14.2878    0.7249    0.0000 N   0  0
  -12.9966    2.9795    0.0000 N   0  0
  -11.7002    3.7340    0.0000 C   0  0
  -11.7055    5.2340    0.0000 N   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -6.5025   -0.7576    0.0000 O   0  0
   -7.8026   -1.5058    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 17 19  1  0
 19 20  2  0
 20 14  1  0
 20 21  1  0
 12 22  1  0
 22 23  2  0
 23  9  1  0
 23 24  1  0
 24 25  1  0
  6 26  1  0
 26 27  2  0
 27  3  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13879

> <plate>
PLATE 003

> <well>
B9

> <supplier_cmpd_name>
GW 2580

> <ctcr_id>
2789

> <supplier_cmpd_id>
T2659

> <smiles>
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1

> <pd_targets>
{NTRK3,NTRK1,NTRK2,CSF1R}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type VII RTKs: Neurotrophin receptor/Trk family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 rec
eptor family"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Signaling by NTRKs","Generic Transcription Pathway","Signaling by N
TRK3 (TRKC)","Signaling by NTRK1 (TRKA)","Transcriptional Regulation by VENTX","Activated NTRK3 signals through PI3K","Signalling to ERKs","Activation of TRKA receptors","Prolonged ERK activation even
ts","NGF-independant TRKA activation","ARMS-mediated activation"}

> <broad_targets>
{CSF1R}

> <broad_moa>
{"cFMS kinase inhibitor"}

> <synonyms>
{GW2580,870483-87-7,870483877,GW-2580,"cFMS Receptor Tyrosine Kinase Inhibitor","GW 2580",UNII-SRV0JCF9LI,UNIISRV0JCF9LI,GW632580X,"5-(3-Methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,4-diamine",
"5(3Methoxy4((4methoxybenzyl)oxy)benzyl)pyrimidine2,4diamine",SRV0JCF9LI,5-(3-methoxy-4-((4-methoxybenzyl)oxy)benzyl)pyrimidine-2,5(3methoxy4((4methoxybenzyl)oxy)benzyl)pyrimidine2,4-dia,4dia,T2659,"E
MD 344036",344036}

> <pdid>
PD003236

> <targets>
{CSF-1R}

> <classes>
{}

> <pubchem_cids>
{11617559}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
   10.3020    0.0267    0.0000 C   0  0
    8.8020    0.0216    0.0000 C   0  0
    7.9161    1.2320    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    7.9245   -1.1950    0.0000 O   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 O   0  0
    0.0042   -5.9990    0.0000 C   0  0
   -3.8994   -3.7478    0.0000 O   0  0
   -5.1973   -2.9959    0.0000 C   0  0
    8.3768    2.6577    0.0000 C   0  0
    7.3710    3.7705    0.0000 O   0  0
    9.8442    2.9730    0.0000 N   0  0
   10.3054    4.4003    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  2  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  4  1  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 12  1  0
 21 16  1  0
 19 22  1  0
 22 23  1  0
 18 24  1  0
 24 25  1  0
  3 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13880

> <plate>
PLATE 003

> <well>
B10

> <supplier_cmpd_name>
Fruquintinib

> <ctcr_id>
11314

> <supplier_cmpd_id>
T2656

> <smiles>
Cc1c(c2c(o1)cc(cc2)Oc1ncnc2cc(c(cc12)OC)OC)C(=O)NC

> <pd_targets>
{KDR,FLT4,FLT1}

> <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","VEGF ligand-receptor interactions","VEGFR2 mediated cell proliferation","VEGF binds to VEGFR
 leading to receptor dimerization"}

> <broad_targets>
{KDR}

> <broad_moa>
{"VEGFR inhibitor"}

> <synonyms>
{Fruquintinib,1194506-26-7,1194506267,HMPL-013,HMPL013,Fruquintinib(HMPL-013),Fruquintinib(HMPL013),UNII-49DXG3M5ZW,UNII49DXG3M5ZW,49DXG3M5ZW,"6-(6,7-dimethoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzof
uran-3-carboxamide","6(6,7dimethoxyquinazolin4yl)oxyN,2dimethyl1benzofuran3carboxamide","6-((6,7-dimethoxyquinazolin-4-yl)oxy)-N,2-dimethylbenzofuran-3-carboxamide","6((6,7dimethoxyquinazolin4yl)oxy)N
,2dimethylbenzofuran3carboxamide",6,T2656}

> <pdid>
PD052672

> <targets>
{VEGFRs,VEGFR}

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

> <pubchem_cids>
{44480399}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 22 24  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -6.4842    5.2590    0.0000 Br  0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17 11  1  0
  9 18  2  0
 18  5  1  0
 18 19  1  0
 19 20  2  0
 20  3  1  0
 20 21  1  0
 21 22  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13881

> <plate>
PLATE 003

> <well>
B11

> <supplier_cmpd_name>
PD153035

> <ctcr_id>
3007

> <supplier_cmpd_id>
T2041

> <smiles>
COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC

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

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

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

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

> <broad_targets>
{EGFR,MAPK14}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{153436-54-5,153436545,"N-(3-bromophenyl)-6,7-dimethoxyquinazolin-4-amine","N(3bromophenyl)6,7dimethoxyquinazolin4amine",PD153035,PD-153035,"pd 153035",UNII-TC62B68RSL,UNIITC62B68RSL,"4-(3-BROMOANILIN
O)-6,7-DIMETHOXYQUINAZOLINE","4(3BROMOANILINO)6,7DIMETHOXYQUINAZOLINE",AG-1517,AG1517,"SU 5271","4-(3-bromophenylamino)-6,7-dimethoxyquinazoline","4(3bromophenylamino)6,7dimethoxyquinazoline","AG 1517
",NSC-6693,NSC6693,T2041,T2047,T1761,T2034,SY-AG1517,AG-1478,"PD153035 hydrochloride",AG-1557,"AG1517 (PD153035)","PD 153035"}

> <pdid>
PD002607

> <targets>
{EGFR,PTK}

> <classes>
{}

> <pubchem_cids>
{4705}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 14 14  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.5009    2.2405    0.0000 N   0  0
   -3.8964   -0.7554    0.0000 C   0  0
   -3.8938   -2.2554    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
  5  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  3  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13882

> <plate>
PLATE 003

> <well>
C2

> <supplier_cmpd_name>
AG18

> <ctcr_id>
1322

> <supplier_cmpd_id>
T2063

> <smiles>
Oc1ccc(cc1O)C=C(C#N)C#N

> <pd_targets>
{KDM4E,SMN1,HIF1A,AMPC,CYP3A4,CYP19A1,KMT2A,MEN1,HSD17B10,ALDH1A1,EGFR,ALPL,TSHR,RORC,PMP22,ALD,L3MBTL1,ALPI,PTK2B,TP53,CYP2D6,THPO,CCNE1,CDK2,LMNA,MAPT,TGR,FFP,BLM,NFKB1,CYP2C19,CYP2C9,AKR1B1,NS1,HPG
D,KDM4C,CYP1A2,IMPA1,ALOX15,MAPK1,ALOX12}

> <pathway_gtopdb>
{"Epigenetic regulator","Transcription factor",Enzyme,"Membrane receptor","Unclassified protein","Other nuclear protein","Other cytosolic protein",Eraser,Reader,Hydrolase,"Cytochrome P450",Oxidoreduct
ase,Kinase,Phosphatase,"Family A G protein-coupled receptor","Nuclear receptor",Transferase,"Lysine demethylase","Methyl-lysine/arginine binding protein","Cytochrome P450 family 3","Cytochrome P450 fa
mily 19",Bromodomain,"Protein Kinase","Peptide receptor (family A GPCR)","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 2","Cytochrome P450 family 1","Jumonji domain-containing","Tudor
 domain","Cytochrome P450 family 3A","Cytochrome P450 family 19A","TK protein kinase group","Glycohormone receptor","Nuclear hormone receptor subfamily 1 group F","MBT domain","Cytochrome P450 family 
2D","CMGC protein kinase group","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 3A4","Cytochrome P450 19A1","Tyrosine protein kinase EGFR family","Nuclear hormone receptor sub
family 1 group F member 3","Tyrosine protein kinase Fak family","Cytochrome P450 2D6","CMGC protein kinase CDK family","Cytochrome P450 2C19","Cytochrome P450 2C9","Cytochrome P450 1A1","CMGC protein 
kinase MAPK family","CMGC protein kinase CDC2 subfamily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Enzymes,Receptors,"Chromatin modifying enzymes","Cytochrome P450","Catalytic receptors","G protein-coupled receptors","Nuclear hormone receptors","1.-.-.- Oxidoreductases","Eicosanoid turnover","Inos
itol phosphate turnover","Kinases (EC 2.7.x.x)","1.14.11.- Histone demethylases","CYP3 family",CYP11,CYP17,CYP19,"CYP20 and CYP21 families","Receptor kinases","Glycoprotein hormone receptors","1F. Ret
inoic acid-related orphans","CYP2 family: drug metabolising subset","Prostaglandin synthases","CYP1 family","Inositol monophosphatase",Lipoxygenases,"CMGC: Containing CDK",MAPK,GSK3,"CLK families","TK
: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","ERK subfamily","Type I RTKs: ErbB (epidermal growth fac
tor) receptor family","Fak family"}

> <pathway_reactome>
{"Metabolism of RNA","Cellular responses to external stimuli",Metabolism,"Signal Transduction","Metabolism of proteins",Disease,"Gene expression (Transcription)","Developmental Biology","Immune System
","Cell Cycle",Hemostasis,"Neuronal System","DNA Repair","Metabolism of non-coding RNA","Cellular responses to stress","Metabolism of lipids","Biological oxidations","Metabolism of amino acids and der
ivatives","Signaling by GPCR","Post-translational protein modification","Infectious disease","RNA Polymerase II Transcription","Nervous system development","Cytokine Signaling in Immune system","Cell 
Cycle Checkpoints","Platelet activation","signaling and aggregation",Mitotic,"Transmission across Chemical Synapses","DNA Double-Strand Break Repair","Signaling by Rho GTPases","Inositol phosphate met
abolism","Innate Immune System","snRNP Assembly","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Branched-chain a
mino acid catabolism","GPCR downstream signalling","Post-translational modification: synthesis of GPI-anchored proteins","Leishmania infection","Generic Transcription Pathway","EGR2 and SOX10-mediated
 initiation of Schwann cell myelination","Signaling by Interleukins","G1/S DNA Damage Checkpoints","Phospholipid metabolism","Platelet Aggregation (Plug Formation)","M Phase","Neurotransmitter recepto
rs and postsynaptic signal transmission","Homology Directed Repair","Metabolism of steroids","RHO GTPase Effectors","Synthesis of IP2",IP,"and Ins in the cytosol","Toll-like Receptor Cascades","Oxygen
-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Cytochrome P450 - arranged by substrate type","Ethanol oxidation","G alpha (q) signalling events
","Leishmania parasite growth and survival","Transcriptional regulation by RUNX3","Transcriptional Regulation by TP53","Interleukin-2 family signaling","p53-Dependent G1/S DNA damage checkpoint","Glyc
erophospholipid biosynthesis","Mitotic Metaphase and Anaphase","Activation of NMDA receptors and postsynaptic events","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Int
erleukin-1 family signaling","Metabolism of steroid hormones","RHO GTPases activate PKNs","Biosynthesis of DPA-derived SPMs","Toll Like Receptor 5 (TLR5) Cascade","Biosynthesis of maresins","Endogenou
s sterols","Gastrin-CREB signalling pathway via PKC and MAPK","Anti-inflammatory response favouring Leishmania parasite infection","RUNX3 Regulates Immune Response and Cell Migration","Regulation of T
P53 Activity","Interleukin-2 signaling","p53-Dependent G1 DNA Damage Response",Xenobiotics,"Synthesis of PA","Mitotic Anaphase","Post NMDA receptor activation events","HDR through Homologous Recombina
tion (HRR)","Interleukin-1 signaling","Pregnenolone biosynthesis","Biosynthesis of D-series resolvins","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3"
,"Biosynthesis of DPAn-3 SPMs","MyD88 cascade initiated on plasma membrane","Biosynthesis of maresin-like SPMs","EGFR Transactivation by Gastrin","ADORA2B mediated anti-inflammatory cytokines producti
on","Regulation of TP53 Activity through Methylation","Stabilization of p53","CYP2E1 reactions","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing and
 Strand Exchange","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of DPAn-3-derived protectins and resolvins","MAP kinase 
activation","Biosynthesis of DPAn-3-derived maresins","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing a
nd strand exchange","MAPK targets/ Nuclear events mediated by MAP kinases","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{EGFR}

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

> <synonyms>
{"Tyrphostin 23",118409-57-7,118409577,"Tyrphostin A23","AG 18",RG-50810,RG50810,AG-18,AG18,"(3,4-Dihydroxybenzylidene)malononitrile","(3,4Dihydroxybenzylidene)malononitrile","2-(3,4-dihydroxybenzylid
ene)malononitrile","2(3,4dihydroxybenzylidene)malononitrile","2-((3,4-dihydroxyphenyl)methylidene)propanedinitrile","2((3,4dihydroxyphenyl)methylidene)propanedinitrile",ag18,Propanedinitrile,2-((3,2((
3,4,T2063,EI-191,S8009,"TYRPHOSTIN 23"}

> <pdid>
PD002603

> <targets>
{EGFRK,EGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{2052}

$$$$
TargetMol_L2200_Tyrosine kinase 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
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5018    3.7420    0.0000 C   0  0
   -6.5068    5.2419    0.0000 O   0  0
   -7.7993    2.9876    0.0000 N   0  0
   -9.1017    3.7333    0.0000 C   0  0
  -10.4521    3.1101    0.0000 N   0  0
  -11.4576    4.2232    0.0000 N   0  0
  -10.7097    5.5235    0.0000 C   0  0
   -9.2420    5.2139    0.0000 C   0  0
  -11.3223    6.8935    0.0000 C   0  0
  -12.7937    7.1580    0.0000 C   0  0
  -13.3013    8.5695    0.0000 C   0  0
  -12.3326    9.7148    0.0000 C   0  0
  -10.8564    9.4486    0.0000 C   0  0
  -10.3489    8.0370    0.0000 C   0  0
  -14.7777    8.8389    0.0000 N   0  0
  -15.2835   10.2520    0.0000 S   0  0
  -14.3129   11.3956    0.0000 O   0  0
  -13.8078    9.9834    0.0000 O   0  0
  -16.7600   10.5214    0.0000 C   0  0
  -17.7310    9.3781    0.0000 C   0  0
  -19.2066    9.6474    0.0000 C   0  0
  -19.7112   11.0599    0.0000 C   0  0
  -18.7402   12.2032    0.0000 C   0  0
  -17.2646   11.9340    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 17  1  0
 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
 24 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  2  0
 29 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 32  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13883

> <plate>
PLATE 003

> <well>
C3

> <supplier_cmpd_name>
BPR1J-097

> <ctcr_id>
12390

> <supplier_cmpd_id>
T2272

> <smiles>
CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1n[nH]c(c1)c1cc(ccc1)NS(=O)(=O)c1ccccc1

> <pd_targets>
{FLT1,AURKA,FLT3,KDR}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Other protein kinases","Receptor tyrosine kinases (RTKs)","Aurora kinase (Aur) family","Type IV RTKs: VEGF (vascular endothel
ial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Signaling by VEGF","Generic Transcription Pathway","Signaling by In
sulin receptor","VEGF ligand-receptor interactions","Transcriptional Regulation by TP53","Insulin receptor signalling cascade","VEGFA-VEGFR2 Pathway","VEGF binds to VEGFR leading to receptor dimerizat
ion","Regulation of TP53 Activity","IRS-mediated signalling","VEGFR2 mediated cell proliferation","Regulation of TP53 Activity through Phosphorylation","PI3K Cascade"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{PR1J-09,PR1J09,bpr1j-097,bpr1j097,1327167-19-0,1327167190,CHEMBL1807392,BPR1J097,SCHEMBL12077294,AOB1332,BCP16866,EX-A2351,EXA2351,BDBM50349001,MFCD25976606,NSC767897,ZINC72178031,AKOS026750404,AKOS0
32960394,NSC-767897,AS-35317,AS35317,HY-13537,HY13537}

> <pdid>
PD056104

> <targets>
{FLT3}

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

> <pubchem_cids>
{56673651}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 33  0  0  0  0            999 V2000
   15.2283    0.1518    0.0000 C   0  0
   13.7595   -0.1527    0.0000 C   0  0
   13.2892   -1.5770    0.0000 C   0  0
   12.7602    0.9671    0.0000 O   0  0
   11.2906    0.6625    0.0000 C   0  0
   10.2903    1.7803    0.0000 C   0  0
    8.8221    1.4728    0.0000 C   0  0
    8.3542    0.0476    0.0000 C   0  0
    9.3546   -1.0701    0.0000 C   0  0
   10.8228   -0.7626    0.0000 C   0  0
    6.8858   -0.2623    0.0000 C   0  0
    5.8837    0.8539    0.0000 C   0  0
    4.4160    0.5441    0.0000 N   0  0
    3.9504   -0.8818    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7345   -2.9814    0.0000 C   0  0
    4.2013   -3.2954    0.0000 N   0  0
    4.9525   -1.9980    0.0000 N   0  0
    6.4202   -1.6882    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 14  1  0
 18 19  1  0
 19 11  2  0
 15 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 20  1  0
 29 24  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13884

> <plate>
PLATE 003

> <well>
C4

> <supplier_cmpd_name>
DMH1

> <ctcr_id>
7915

> <supplier_cmpd_id>
T1942

> <smiles>
CC(C)Oc1ccc(cc1)c2cnc3c(cnn3c2)c4ccnc5ccccc45

> <pd_targets>
{ACVR1,ACVRL1,BMPR1A,ACVR1B,BMPR1B,TGFBR1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","TKL protein kinase STKR family","TKL protein kinase STKR1","TKL protein kinase STKR Type 1 subfamily"}

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

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

> <broad_targets>
{ACVR1}

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

> <synonyms>
{MH,DMH-1,DMH1,1206711-16-1,1206711161,"4-(6-(4-propan-2-yloxyphenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline","4(6(4propan2yloxyphenyl)pyrazolo(1,5a)pyrimidin3yl)quinoline","DMH 1","4-(6-(4-(1-Methyle
thoxy)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)-quinoline","4(6(4(1Methylethoxy)phenyl)pyrazolo(1,5a)pyrimidin3yl)quinoline",C24H20N4O,CHEBI:86289,4-(6-(4-isopropoxyphenyl)pyrazolo(1,4(6(4isopropoxyphenyl
)pyrazolo(1,5-a)pyrimidin,5a)pyrimidin,T1942,S7146}

> <pdid>
PD010597

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{50997747}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 27 31  0  0  0  0            999 V2000
   13.7589   -0.1520    0.0000 C   0  0
   12.7602    0.9671    0.0000 O   0  0
   11.2906    0.6626    0.0000 C   0  0
   10.2903    1.7803    0.0000 C   0  0
    8.8221    1.4729    0.0000 C   0  0
    8.3542    0.0477    0.0000 C   0  0
    9.3546   -1.0701    0.0000 C   0  0
   10.8228   -0.7626    0.0000 C   0  0
    6.8858   -0.2623    0.0000 C   0  0
    5.8837    0.8539    0.0000 C   0  0
    4.4160    0.5441    0.0000 N   0  0
    3.9504   -0.8818    0.0000 C   0  0
    4.9525   -1.9980    0.0000 N   0  0
    6.4202   -1.6882    0.0000 C   0  0
    4.2013   -3.2954    0.0000 N   0  0
    2.7345   -2.9814    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14  9  2  0
 13 15  1  0
 15 16  2  0
 16 17  1  0
 17 12  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 18  1  0
 27 22  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13885

> <plate>
PLATE 003

> <well>
C5

> <supplier_cmpd_name>
ML347

> <ctcr_id>
7936

> <supplier_cmpd_id>
T1943

> <smiles>
COc1ccc(cc1)c2cnc3n(c2)ncc3c4cccc5ncccc45

> <pd_targets>
{ACVRL1,KDR,BMPR1B,BMPR1A,ACVR1,BMP4}

> <pathway_gtopdb>
{Enzyme,Kinase,Protease,"Protein Kinase","Metallo protease","TKL protein kinase group","TK protein kinase group","Metallo protease MAM clan","TKL protein kinase STKR family","Tyrosine protein kinase V
EGFR family","Metallo protease M12A subfamily","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase STKR1"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","Receptor serine/threonine kinase (RSTK) family","Receptor tyrosine kinases (RTKs)","Type I recept
or serine/threonine kinases","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Extracellular matrix organization","Signaling by TGFB family members","Signaling by Receptor Tyrosine Kinases","Elastic fibre formation","Signaling by BMP","Signaling by VEGF",
"Molecules associated with elastic fibres","VEGFA-VEGFR2 Pathway","VEGFR2 mediated cell proliferation"}

> <broad_targets>
{ACVR1,ACVRL1,BMPR1A}

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

> <synonyms>
{ML347,1062368-49-3,1062368493,ML-347,"5-(6-(4-methoxyphenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline","5(6(4methoxyphenyl)pyrazolo(1,5a)pyrimidin3yl)quinoline","LDN 193719","Quinoline, 5-(6-(4-methoxy
phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)-","Quinoline, 5(6(4methoxyphenyl)pyrazolo(1,5a)pyrimidin3yl)",CHEMBL502351,1lWY,MLS004797119,GTPL8121,SCHEMBL11953869,AOB4273,HMS3653O11,HMS3,T1943,S7148}

> <pdid>
PD010595

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{44577753}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 O   0  0
   -3.8983   -0.7459    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
    1.2954    5.2529    0.0000 N   0  0
    1.2978    3.7529    0.0000 C   0  0
    2.5981    3.0050    0.0000 C   0  0
   -2.6035    5.9971    0.0000 C   0  0
   -3.9026    5.2472    0.0000 C   0  0
   -5.2017    5.9972    0.0000 C   0  0
   -5.2017    7.4972    0.0000 C   0  0
   -3.9026    8.2472    0.0000 C   0  0
   -2.6036    7.4972    0.0000 C   0  0
   -6.5014    8.2475    0.0000 N   0  0
   -7.8017    7.4997    0.0000 C   0  0
   -9.0996    8.2517    0.0000 C   0  0
   -9.0972    9.7517    0.0000 N   0  0
   -7.7969   10.4997    0.0000 C   0  0
   -6.4991    9.7476    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10  3  1  0
 10 11  1  0
 11 12  1  0
  5 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 15 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 26  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13886

> <plate>
PLATE 003

> <well>
C6

> <supplier_cmpd_name>
LDN-214117

> <ctcr_id>
11905

> <supplier_cmpd_id>
T1944

> <smiles>
COc1cc(cc(OC)c1OC)-c1cc(cnc1C)-c1ccc(cc1)N1CCNCC1

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

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TKL protein kinase group","TKL protein kinase STKR family","TKL protein kinase STKR1","TKL protein kinase STKR Type 1 subfamily"}

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

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

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{DN21411,LDN-214117,LDN214117,1627503-67-6,1627503676,"1-(4-(6-Methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl)phenyl)piperazine","1(4(6Methyl5(3,4,5trimethoxyphenyl)pyridin3yl)phenyl)piperazine",CHEMBL
3341789,"1-(4-(6-methyl-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl)phenyl)piperazine","1(4(6methyl5(3,4,5trimethoxyphenyl)pyridin3yl)phenyl)piperazine",Piperazine,1-(4-(6-methyl-5-(3,1(4(6methyl5(3,4,5-tr
imethoxyp,5trimethoxyp,T1944}

> <pdid>
PD012399

> <targets>
{TGF-beta/Smad,ALK2}

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

> <pubchem_cids>
{91754554}

$$$$
TargetMol_L2200_Tyrosine kinase 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
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -2.5205    6.1100    0.0000 C   0  0
   -2.0570    7.5366    0.0000 C   0  0
   -2.9352    8.7505    0.0000 N   0  0
   -2.3228   10.1207    0.0000 C   0  0
   -0.8307   10.2749    0.0000 O   0  0
   -3.2024   11.3367    0.0000 C   0  0
   -2.5923   12.7071    0.0000 C   0  0
   -3.4740   13.9207    0.0000 C   0  0
   -4.9658   13.7639    0.0000 C   0  0
   -5.5759   12.3936    0.0000 C   0  0
   -4.6943   11.1801    0.0000 C   0  0
   -5.8479   14.9781    0.0000 N   0  0
   -5.2400   16.3494    0.0000 C   0  0
   -6.1235   17.5616    0.0000 C   0  0
   -5.5155   18.9329    0.0000 C   0  0
   -7.6151   17.4025    0.0000 N   0  0
   -8.2230   16.0312    0.0000 C   0  0
   -9.7146   15.8721    0.0000 C   0  0
   -7.3395   14.8191    0.0000 C   0  0
   -0.5570    7.5366    0.0000 N   0  0
   -0.0935    6.1100    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0031    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 20  1  0
 10 28  2  0
 28 29  1  0
 29  8  1  0
  5 30  2  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 31 34  2  0
 34  3  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13887

> <plate>
PLATE 003

> <well>
C7

> <supplier_cmpd_name>
AZD4547

> <ctcr_id>
7249

> <supplier_cmpd_id>
T1948

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

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

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

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

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

> <broad_targets>
.

> <broad_moa>
.

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

> <pdid>
PD003475

> <targets>
{FGFR}

> <classes>
{}

> <pubchem_cids>
{51039095}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
    5.9983  -16.0976    0.0000 F   0  0
    4.5303  -15.7897    0.0000 C   0  0
    3.5299  -16.9074    0.0000 F   0  0
    4.9978  -17.2150    0.0000 F   0  0
    4.0618  -14.3639    0.0000 C   0  0
    5.0618  -13.2458    0.0000 C   0  0
    4.5935  -11.8208    0.0000 C   0  0
    3.1253  -11.5137    0.0000 C   0  0
    2.6539  -10.0888    0.0000 C   0  0
    1.1844   -9.7837    0.0000 N   0  0
    0.7130   -8.3588    0.0000 C   0  0
   -0.7552   -8.0517    0.0000 N   0  0
   -1.2234   -6.6267    0.0000 C   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 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
    1.2449   -5.8157    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
    2.1253  -12.6318    0.0000 C   0  0
    2.5935  -14.0568    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  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 16  1  0
 25 19  1  0
 14 26  1  0
 26 27  2  0
 27 11  1  0
  8 28  1  0
 28 29  2  0
 29  5  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13888

> <plate>
PLATE 003

> <well>
C8

> <supplier_cmpd_name>
FLT3-IN-2

> <ctcr_id>
12394

> <supplier_cmpd_id>
T1938

> <smiles>
FC(F)(F)c1ccc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cc2)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{LT3IN,FLT3-IN-2,FLT3IN2,923562-23-6,923562236,STK321130,SCHEMBL1267746,EX-A604,EXA604,BCP15254,MFCD29472260,STK321130FLT3-IN-2),STK321130FLT3IN2),ZINC115706242,CS-5114,CS5114,BS-18247,BS18247,HY-1874
4,HY18744,"L-01,324","L01,324","STK-321130;STK 321130; FLT3-IN-2","STK321130;STK 321130; FLT3IN2",T1938}

> <pdid>
PD055882

> <targets>
{FLT3}

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

> <pubchem_cids>
{59593294}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 36 39  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 C   0  0
   -3.9021   -3.7405    0.0000 C   0  0
   -5.2008   -2.9882    0.0000 N   0  0
   -6.5020   -3.7360    0.0000 C   0  0
   -7.8012   -2.9861    0.0000 C   0  0
   -7.8043   -1.4852    0.0000 O   0  0
   -9.1044   -0.7372    0.0000 C   0  0
   -9.1002   -3.7361    0.0000 C   0  0
   -9.1002   -5.2361    0.0000 C   0  0
   -7.8011   -5.9861    0.0000 C   0  0
   -6.5021   -5.2361    0.0000 C   0  0
  -10.3999   -5.9865    0.0000 N   0  0
  -11.7002   -5.2386    0.0000 C   0  0
  -12.9980   -5.9907    0.0000 C   0  0
  -12.9956   -7.4907    0.0000 O   0  0
  -11.6954   -8.2386    0.0000 C   0  0
  -10.3976   -7.4865    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 N   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -0.0120   -6.0044    0.0000 C   0  0
   -0.0163   -7.5043    0.0000 F   0  0
    1.2894   -5.2585    0.0000 F   0  0
    1.2847   -6.7583    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 17 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 16  1  0
 21 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 14 30  2  0
 30 31  1  0
 31 32  2  0
 32 12  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 33 36  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13889

> <plate>
PLATE 003

> <well>
C9

> <supplier_cmpd_name>
PND-1186

> <ctcr_id>
11951

> <supplier_cmpd_id>
T1950

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

> <pd_targets>
{PTK2,MAPK10,MAPK9}

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

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

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

> <broad_targets>
{}

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

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

> <pdid>
PD003237

> <targets>
{FAK,Apoptosis}

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

> <pubchem_cids>
{25073775}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 41 45  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8915    3.7585    0.0000 N   0  0
    3.8863    5.2585    0.0000 C   0  0
    5.1819    6.0161    0.0000 N   0  0
    5.1746    7.5169    0.0000 C   0  0
    3.8703    8.2580    0.0000 C   0  0
    3.8600    9.7580    0.0000 C   0  0
    5.1538   10.5169    0.0000 C   0  0
    6.4580    9.7759    0.0000 C   0  0
    6.4684    8.2760    0.0000 C   0  0
    7.7733    7.5346    0.0000 S   0  0
    7.7833    6.0346    0.0000 O   0  0
    9.0772    6.7930    0.0000 O   0  0
    9.0683    8.2932    0.0000 C   0  0
   10.3725    7.5523    0.0000 C   0  0
    9.0583    9.7932    0.0000 C   0  0
    2.5847    6.0040    0.0000 N   0  0
    1.2883    5.2495    0.0000 C   0  0
    1.2934    3.7495    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987   -1.5004    0.0000 N   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
   -6.4930   -3.7570    0.0000 N   0  0
   -7.7945   -3.0112    0.0000 C   0  0
   -9.0912   -3.7653    0.0000 C   0  0
   -9.0864   -5.2653    0.0000 N   0  0
  -10.3830   -6.0194    0.0000 C   0  0
   -7.7850   -6.0112    0.0000 C   0  0
   -6.4883   -5.2571    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  2  0
 16 18  2  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
  8 22  2  0
 22 23  1  0
 23 24  2  0
 24  6  1  0
  4 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28  3  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 29  1  0
 32 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 38 40  1  0
 40 41  1  0
 41 35  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13890

> <plate>
PLATE 003

> <well>
C10

> <supplier_cmpd_name>
ASP 3026

> <ctcr_id>
11906

> <supplier_cmpd_id>
T1962

> <smiles>
COc1c(Nc2nc(Nc3ccccc3S(=O)(=O)C(C)C)ncn2)ccc(c1)N1CCC(CC1)N1CCN(C)CC1

> <pd_targets>
{ALK}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family"}

> <pathway_reactome>
{}

> <broad_targets>
{ALK}

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

> <synonyms>
{ASP3026,1097917-15-1,1097917151,ASP-3026,"ASP 3026",UNII-HP4L6MXF10,UNIIHP4L6MXF10,HP4L6MXF10,F6O,cc-325,cc325,MLS006011176,GTPL7740,SCHEMBL2827739,CHEMBL3545360,C29H40N8O3S,AOB6601,DTXSID90149038,EX
-A140,EXA140,QCR-144,QCR144,CHEBI:167650,HMS3673C17,BCP06436,2229AH,MFCD21609265,NSC765865,T1962}

> <pdid>
PD012874

> <targets>
{ALK}

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

> <pubchem_cids>
{25134326}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
   -8.9766   -2.9827    0.0000 C   0  0
   -7.5391   -3.4113    0.0000 O   0  0
   -6.4479   -2.3809    0.0000 C   0  0
   -6.7976   -0.9222    0.0000 C   0  0
   -5.7092    0.1100    0.0000 C   0  0
   -4.2711   -0.3166    0.0000 C   0  0
   -3.9214   -1.7752    0.0000 C   0  0
   -5.0098   -2.8075    0.0000 C   0  0
   -4.6570   -4.2663    0.0000 N   0  0
   -3.2175   -4.6910    0.0000 C   0  0
   -2.8628   -6.1485    0.0000 N   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
    1.1012   -5.9552    0.0000 Cl  0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 N   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -6.0590    1.5694    0.0000 N   0  0
   -7.4964    1.9983    0.0000 C   0  0
   -7.8438    3.4575    0.0000 C   0  0
   -6.7537    4.4879    0.0000 C   0  0
   -7.1011    5.9472    0.0000 N   0  0
   -5.3163    4.0591    0.0000 C   0  0
   -4.9690    2.5999    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 17  1  0
 25 20  1  0
  5 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 26  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13891

> <plate>
PLATE 003

> <well>
C11

> <supplier_cmpd_name>
AZD3463

> <ctcr_id>
3723

> <supplier_cmpd_id>
T1967

> <smiles>
COc1cc(ccc1Nc2ncc(Cl)c(n2)c3c[nH]c4ccccc34)N5CCC(N)CC5

> <pd_targets>
{IGF1R,ALK}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type II RTKs: Insulin receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) rec
eptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","IGF1R signaling cascade","IRS-related events triggered by IGF1R"}

> <broad_targets>
{ALK,IGF1R}

> <broad_moa>
{"ALK tyrosine kinase receptor inhibitor","insulin growth factor receptor inhibitor"}

> <synonyms>
{AZD3463,1356962-20-3,1356962203,AZD-3463,CS-1382,CS1382,HY-15609,HY15609,"AZD 3463",C24H25ClN6O,"ALK/IGF1R inhibitor",KB-154896,KB154896,SCHEMBL517412,GTPL7706,CHEMBL4203266,DTXSID50717792,EX-A328,EX
A328,CHEBI:167653,BDBM192752,HMS3653G05,AOB87394,BCP07685,2238AH,NSC776787,s7106,ZINC9561658,T1967,S7106}

> <pdid>
PD010620

> <targets>
{ALK}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{56599293}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 30 34  0  0  0  0            999 V2000
    5.1009    2.6017    0.0000 O   0  0
    5.8532    1.3040    0.0000 C   0  0
    5.1047    0.0031    0.0000 N   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    0.0102   -7.5017    0.0000 C   0  0
    1.3123   -8.2482    0.0000 N   0  0
    1.3199   -9.7482    0.0000 C   0  0
    2.6227  -10.4916    0.0000 C   0  0
    3.9180   -9.7351    0.0000 S   0  0
    3.8901  -11.2348    0.0000 O   0  0
    5.1951   -8.9483    0.0000 O   0  0
    3.9104   -8.2351    0.0000 C   0  0
    2.6076   -7.4917    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    7.3541    1.3071    0.0000 C   0  0
    8.5617    2.0571    0.0000 C   0  0
    8.5617    0.5571    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  2  0
 20 23  1  0
 23 24  1  0
 24 17  1  0
 15 25  1  0
 25 26  2  0
 26 12  1  0
  7 27  2  0
 27  4  1  0
  2 28  1  0
 28 29  1  0
 29 30  1  0
 30 28  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13892

> <plate>
PLATE 003

> <well>
D2

> <supplier_cmpd_name>
Filgotinib

> <ctcr_id>
11530

> <supplier_cmpd_id>
T1929

> <smiles>
O=C(Nc1nn2c(cccc2c2ccc(CN3CCS(=O)(=O)CC3)cc2)n1)C1CC1

> <pd_targets>
{JAK1,GSC2,JAK2,TYK2,FLT4,CSF1R,JAK3,FLT3,KCNH2}

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

> <pathway_chembl>
{Receptors,"Ion channels","Catalytic receptors","Voltage-gated ion channels","Receptor kinases","Potassium channels","TK: Tyrosine kinase","Voltage-gated potassium channels","Non-receptor tyrosine kin
ases (nRTKs)","Receptor tyrosine kinases (RTKs)","Janus kinase (JakA) family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor f
amily"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Signal Transduction","Gene expression (Transcription)","Muscle contraction","Cytokine Signaling in Immune system",Mitotic,"Signaling by Receptor Tyrosine Kinases","RNA P
olymerase II Transcription","Cardiac conduction","Interferon Signaling","Mitotic G1 phase and G1/S transition","Signaling by VEGF","Generic Transcription Pathway","Signaling by Interleukins","Signalin
g by Insulin receptor","Phase 3 - rapid repolarisation","Antiviral mechanism by IFN-stimulated genes","G1 Phase","Interferon alpha/beta signaling","VEGF ligand-receptor interactions","Transcriptional 
Regulation by VENTX","Interleukin-2 family signaling","Insulin receptor signalling cascade","ISG15 antiviral mechanism","Cyclin D associated events in G1","Regulation of IFNA signaling","VEGF binds to
 VEGFR leading to receptor dimerization","Interleukin-15 signaling","IRS-mediated signalling","PI3K Cascade"}

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

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{SCHEMBL253559,"Filgotinib pound GLPG0643)","GS-6034 FREE BASE","GS6034 FREE BASE",1206101-20-3,1206101203,Filgotinib,GLPG0634,1206161-97-8,1206161978,GLPG-0634,UNII-3XVL385Q0M,UNII3XVL385Q0M,GPLG0634
,Filgotinib(GLPG0634),3XVL385Q0M,G146034,"Filgotinib (GLPG0634)","Filgotinib (USAN:INN)",Jyseleca,GL,T1929}

> <pdid>
PD010273

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

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

> <pubchem_cids>
{49831257}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 31 36  0  0  0  0            999 V2000
   14.6983    2.6997    0.0000 C   0  0
   13.2297    2.3946    0.0000 C   0  0
   12.7595    0.9701    0.0000 N   0  0
   13.7582   -0.1492    0.0000 C   0  0
   15.2268    0.1560    0.0000 C   0  0
   15.6969    1.5804    0.0000 N   0  0
   11.2906    0.6626    0.0000 C   0  0
   10.2903    1.7803    0.0000 C   0  0
    8.8221    1.4729    0.0000 C   0  0
    8.3542    0.0477    0.0000 C   0  0
    9.3546   -1.0701    0.0000 C   0  0
   10.8228   -0.7626    0.0000 C   0  0
    6.8858   -0.2623    0.0000 C   0  0
    5.8837    0.8539    0.0000 C   0  0
    4.4160    0.5441    0.0000 N   0  0
    3.9504   -0.8818    0.0000 C   0  0
    4.9525   -1.9980    0.0000 N   0  0
    6.4202   -1.6882    0.0000 C   0  0
    4.2013   -3.2954    0.0000 N   0  0
    2.7345   -2.9814    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  3  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 10 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 16  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  2  0
 31 22  1  0
 31 26  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13893

> <plate>
PLATE 003

> <well>
D3

> <supplier_cmpd_name>
LDN-193189

> <ctcr_id>
69

> <supplier_cmpd_id>
T1935

> <smiles>
C1CN(CCN1)c2ccc(cc2)c3cnc4n(c3)ncc4c5ccnc6ccccc56

> <pd_targets>
{KDR,ACVRL1,PRKAB1,TGFBR2,BMPR1A,BMPR2,TGFBR1,ACVR1B,ACVR1,BMPR1B,BMP4}

> <pathway_gtopdb>
{Enzyme,Kinase,Protease,"Protein Kinase","Protein kinase regulatory subunit","Metallo protease","TK protein kinase group","TKL protein kinase group","Metallo protease MAM clan","Tyrosine protein kinas
e VEGFR family","TKL protein kinase STKR family","Metallo protease M12A subfamily","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase STKR Type 2 subfamily","TKL protein kinase STKR1"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","TK: Tyrosine kinase","TKL: Tyrosine kinase-like","CAMK-like (CA
MKL) family","Receptor tyrosine kinases (RTKs)","Receptor serine/threonine kinase (RSTK) family","AMPK subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type I rece
ptor serine/threonine kinases","Type II receptor serine/threonine kinases"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Disease,"Developmental Biology","Extracellular matrix organization","Signaling by Receptor Tyrosine Kinases","Signaling by TGFB family members"
,"RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by NODAL","Elastic fibre formation","Signaling by VEGF","Signaling by B
MP","Generic Transcription Pathway","Signaling by TGF-beta Receptor Complex in Cancer","Regulation of signaling by NODAL","Molecules associated with elastic fibres","VEGFA-VEGFR2 Pathway","Transcripti
onal Regulation by TP53","Loss of Function of SMAD2/3 in Cancer","VEGFR2 mediated cell proliferation","Regulation of TP53 Activity","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Regulation of TP5
3 Activity through Phosphorylation"}

> <broad_targets>
{ACVR1,BMPR1A}

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

> <synonyms>
{1062368-24-4,1062368244,LDN193189,LDN-193189,"4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline","4(6(4(piperazin1yl)phenyl)pyrazolo(1,5a)pyrimidin3yl)quinoline",UNII-W69H5YQU9O,
UNIIW69H5YQU9O,"LDN 193189","1062368-24-4 (free base)","1062368244 (free base)",W69H5YQU9O,CHEMBL513147,4-(6-(4-Piperazin-1-Ylphenyl)pyrazolo(1,4(6(4Piperazin1Ylphenyl)pyrazolo(1,5-A)pyrimidin-3-Y,5A)
pyrimidin3Y,T1935,S2618}

> <pdid>
PD013013

> <targets>
{TGF-beta/Smad}

> <classes>
{}

> <pubchem_cids>
{25195294}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 17 17  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 C   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -3.9005    5.2525    0.0000 C   0  0
   -3.9014    6.7525    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  3  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13894

> <plate>
PLATE 003

> <well>
D4

> <supplier_cmpd_name>
Bay 11-7085

> <ctcr_id>
7616

> <supplier_cmpd_id>
T1934

> <smiles>
CC(C)(C)c1ccc(cc1)[S](=O)(=O)\C=C\C#N

> <pd_targets>
{REP,LMNA,ALDH1A1,MAPT,PMP22,HPGD,GMNN,BLM,NPSR1,CCR2,DRD3}

> <pathway_gtopdb>
{Enzyme,"Other nuclear protein","Other cytosolic protein","Unclassified protein","Membrane receptor",Transferase,Oxidoreductase,"Family A G protein-coupled receptor","Peptide receptor (family A GPCR)"
,"Small molecule receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Monoamine receptor","Chemokine receptor","Neuropeptide receptor","Dopamine receptor","CC chemokine receptor"}

> <pathway_chembl>
{"Other protein targets",Enzymes,Receptors,"Anti-infective targets","Eicosanoid turnover","G protein-coupled receptors","Viral protein targets","Prostaglandin synthases","Neuropeptide S receptor","Dop
amine receptors","Chemokine receptors","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{Disease,"Cell Cycle",Metabolism,"Neuronal System","Developmental Biology","DNA Repair","Signal Transduction","Infectious disease",Mitotic,"Biological oxidations","Transmission across Chemical Synapse
s","Nervous system development","Metabolism of lipids","DNA Double-Strand Break Repair","Signaling by GPCR","SARS-CoV Infections","M Phase","Phase I - Functionalization of compounds","Neurotransmitter
 receptors and postsynaptic signal transmission","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Biosynthesis of specialized proresolving mediators (SPMs)","Mitotic G1 phase and G1/S
 transition","Homology Directed Repair","Leishmania infection","GPCR ligand binding","SARS-CoV-2 Infection","Mitotic Metaphase and Anaphase","Ethanol oxidation","Activation of NMDA receptors and posts
ynaptic events","Biosynthesis of DHA-derived SPMs","G1/S Transition","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Leishmania parasite growth and survival","Class A/1 
(Rhodopsin-like receptors)","SARS-CoV-2 Genome Replication and Transcription","Mitotic Anaphase","Post NMDA receptor activation events","Biosynthesis of D-series resolvins","Activation of the pre-repl
icative complex","HDR through Homologous Recombination (HRR)","Anti-inflammatory response favouring Leishmania parasite infection","Peptide ligand-binding receptors","Amine ligand-binding receptors","
Replication of the SARS-CoV-2 genome","Nuclear Envelope (NE) Reassembly","Activation of AMPK downstream of NMDARs","Homologous DNA Pairing and Strand Exchange","ADORA2B mediated anti-inflammatory cyto
kines production","Chemokine receptors bind chemokines","Dopamine receptors","Initiation of Nuclear Envelope (NE) Reformation","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{NFKBIA}

> <broad_moa>
{"NFkB pathway inhibitor"}

> <synonyms>
{"AY 11708","bay 11-7085","bay 117085",196309-76-9,196309769,(E)-3-(4-tert-butylphenylsulfonyl)acrylonitrile,(E)3(4tertbutylphenylsulfonyl)acrylonitrile,(E)-3-((4-(tert-Butyl)phenyl)sulfonyl)acrylonit
rile,(E)3((4(tertButyl)phenyl)sulfonyl)acrylonitrile,"BAY 11-7083","BAY 117083",(E)-3-(4-tert-butylphenyl)sulfonylprop-2-enenitrile,(E)3(4tertbutylphenyl)sulfonylprop2enenitrile,BAY-11-7085,BAY117085,
(E)-3-(4-t-Butylphenylsulfonyl)-2-pro,(E)3(4tButylphenylsulfonyl)2pro,T1934,nan,"Bay 11-7085"}

> <pdid>
PD015391

> <targets>
{I?B/IKK,"NF-kappa B"}

> <classes>
{}

> <pubchem_cids>
{5353432}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 36 41  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 O   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.7124    4.0029    0.0000 N   0  0
   -3.1023    5.3733    0.0000 C   0  0
   -3.7126    6.7423    0.0000 C   0  0
   -2.8309    7.9559    0.0000 C   0  0
   -1.3391    7.7991    0.0000 C   0  0
   -0.7290    6.4288    0.0000 C   0  0
   -1.6105    5.2165    0.0000 C   0  0
   -3.4413    9.3269    0.0000 C   0  0
   -4.0514   10.6972    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8791    2.2804    0.0000 C   0  0
   -2.5628    0.0004    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 N   0  0
   -1.2978   -3.7529    0.0000 C   0  0
   -1.2955   -5.2529    0.0000 C   0  0
    0.0048   -6.0009    0.0000 C   0  0
    1.3026   -5.2488    0.0000 C   0  0
    1.3002   -3.7488    0.0000 C   0  0
    0.0072   -7.5016    0.0000 N   0  0
   -1.2895   -8.2559    0.0000 C   0  0
   -1.2847   -9.7558    0.0000 C   0  0
    0.0167  -10.5017    0.0000 O   0  0
    1.3133   -9.7476    0.0000 C   0  0
    1.3086   -8.2476    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16  8  1  0
 16 11  1  0
 13 17  1  0
 17 18  3  0
  9 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 22  5  2  0
 22 23  1  0
 23 24  2  0
 24  3  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
 28 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 31  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13895

> <plate>
PLATE 003

> <well>
D5

> <supplier_cmpd_name>
Alectinib

> <ctcr_id>
584

> <supplier_cmpd_id>
T1936

> <smiles>
CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1N5CCC(CC5)N6CCOCC6

> <pd_targets>
{KDR,MET,ROS1,ALK,SRPK1,RET,EML4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","CMGC protein kinase group","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Met family","Tyrosine p
rotein kinase Sev family","TKL protein kinase STKR family","CMGC protein kinase SRPK family","Tyrosine protein kinase Ret family","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TK: Tyrosine kinase","SRPK family","Receptor tyrosine kinases (RTKs)
","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XVII RTKs: ROS receptors","Type XIX RTKs: Leukocyte tyro
sine kinase (LTK) receptor family","Type XIV RTKs: RET"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology","Signaling by Receptor Tyrosine Kinases","Nervous system development","Signaling by VEGF","Axon guidance","VEGFA-VEGFR2 Pathway","Semaphorin interactions
","RET signaling","VEGFR2 mediated cell proliferation","Sema4D in semaphorin signaling","Sema4D mediated inhibition of cell attachment and migration"}

> <broad_targets>
{ALK,MET}

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

> <synonyms>
{Alectinib,1256580-46-7,1256580467,CH5424802,Alecensa,"CH 5424802",AF-802,AF802,UNII-LIJ4CT1Z3Y,UNIILIJ4CT1Z3Y,"Alectinib (CH5424802)",RO5424802,"Alectinib free base","AF 802",LIJ4CT1Z3Y,CH-5424802,CH
EMBL1738797,"1256580-46-7 (free base)","1256580467 (free base)",C30H34N4O2,"Alectinib (USAN:INN)",EMH,T1936,764040,S2762}

> <pdid>
PD003223

> <targets>
{ALK}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{49806720}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    5.1996   -1.4928    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 N   0  0
   -3.9021   -3.7405    0.0000 C   0  0
   -5.2008   -2.9882    0.0000 N   0  0
   -6.5020   -3.7360    0.0000 C   0  0
   -6.5021   -5.2361    0.0000 C   0  0
   -7.8011   -5.9861    0.0000 C   0  0
   -9.1002   -5.2361    0.0000 C   0  0
   -9.1002   -3.7361    0.0000 C   0  0
   -7.8011   -2.9861    0.0000 C   0  0
   -7.8043   -1.4852    0.0000 O   0  0
   -9.1044   -0.7371    0.0000 C   0  0
  -10.3999   -5.9865    0.0000 N   0  0
  -10.4023   -7.4865    0.0000 C   0  0
  -11.7026   -8.2345    0.0000 C   0  0
  -13.0004   -7.4824    0.0000 O   0  0
  -12.9980   -5.9824    0.0000 C   0  0
  -11.6978   -5.2345    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 N   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 C   0  0
   -0.0127   -6.0039    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 21 22  1  0
 22 23  1  0
 19 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 14 30  2  0
 30 31  1  0
 31 32  2  0
 32 12  1  0
 32 33  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13896

> <plate>
PLATE 003

> <well>
D6

> <supplier_cmpd_name>
TAE226

> <ctcr_id>
479

> <supplier_cmpd_id>
T1918

> <smiles>
CNC(=O)c1ccccc1Nc2nc(Nc3ccc(cc3OC)N4CCOCC4)ncc2Cl

> <pd_targets>
{MAPK9,FLT3,MKNK2,PRKCG,BTK,MAP4K5,AURKA,MAPK10,MST1R,LTK,RPS6KB1,DYRK1A,CHEK1,DYRK1B,LCK,ALK,INSR,BRSK1,MAPK14,CLK2,CAMKK2,STK17A,TNK2,PTK2,AURKB,SIK2,IRAK1,ITK,HIPK2,ERBB4,DCLK1,CDC7,HIPK4,MARK4,PLK
4,PRKG1,CSNK2A1,PTK2B,PRKD2,PDGFRB,ROS1,MINK1,DAPK3,IGF1R,NEK2,FLT1,CLK4,SRPK1,CDK5,ERBB2,TSSK1B,CDK1,CDK7,SLK,FGFR3,PLK1,MAP3K10,TBK1,LIMK1,CDK2,IRAK4,MAPK1,FGFR1,EGFR,MAPK8,PRKD3,CHEK2,DYRK4,CAMK2D,
FER,CSF1R,LRRK2,TAOK1,PIM3,SYK,JAK2,PRKAA1,RET,MAP2K2,RPS6KA3,PLK3,HCK,SRMS,CSNK1D,FES,NEK4,MET,PAK4,PTK6,DYRK3,MELK,CAMK2B,PDPK1,CAMK2G,FRK,PHKG2,MARK3,KDR}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CMGC protein kinase group","TK protein kinase group","CAMK protein kinase group","AGC protein kinase group","STE protein kinase group","Other protein kinase group","TK
L protein kinase group","CK1 protein kinase group","CMGC protein kinase MAPK family","Tyrosine protein kinase PDGFR family","CAMK protein kinase MAPKAPK family","AGC protein kinase PKC family","Tyrosi
ne protein kinase Tec family","STE protein kinase STE20 family","Other protein kinase AUR family","Tyrosine protein kinase Met family","Tyrosine protein kinase Alk family","AGC protein kinase RSK fami
ly","CMGC protein kinase DYRK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Src family","TKL protein kinase STKR family","Tyrosine protein kinase InsR family","CMGC protein kinas
e CLK family","Other protein kinase CAMKK family","CAMK protein kinase DAPK family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Fak family","TKL protein kinase IRAK family","Tyrosine
 protein kinase EGFR family","CAMK protein kinase DCAMK1 family","Other protein kinase CDC7 family","Other protein kinase PLK family","AGC protein kinase PKG family","Other protein kinase CK2 family",
"CAMK protein kinase PKD family","Tyrosine protein kinase Sev family","Other protein kinase NEK family","Tyrosine protein kinase VEGFR family","CMGC protein kinase SRPK family","CMGC protein kinase CD
K family","CAMK protein kinase TSSK family","Tyrosine protein kinase FGFR family","TKL protein kinase MLK family","Other protein kinase IKK family","TKL protein kinase LISK family","CAMK protein kinas
e RAD53 family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase Fer family","TKL protein kinase LRRK family","CAMK protein kinase PIM family","Tyrosine protein kinase Syk family","Tyrosine
 protein kinase JakA family","Tyrosine protein kinase Ret family","STE protein kinase STE7 family","CK1 protein kinase CK1 family","AGC protein kinase PDK1 subfamily","CAMK protein kinase PHk family",
"CMGC protein kinase JNK subfamily","CAMK protein kinase MNK subfamily","AGC protein kinase PKC alpha subfamily","STE protein kinase KHS subfamily","AGC protein kinase p70 subfamily","CMGC protein kin
ase Dyrk1 subfamily","CAMK protein kinase CHK1 subfamily","TKL protein kinase STKR Type 1 subfamily","CAMK protein kinase BRSK subfamily","CMGC protein kinase p38 subfamily","Other protein kinase Meta
 subfamily","CAMK protein kinase QIK subfamily","CMGC protein kinase HIPK subfamily","CAMK protein kinase MARK subfamily","STE protein kinase MSN subfamily","CMGC protein kinase CDK5 subfamily","CMGC 
protein kinase CDC2 subfamily","CMGC protein kinase CDK7 subfamily","STE protein kinase SLK subfamily","TKL protein kinase MLK subfamily","TKL protein kinase LIMK subfamily","CMGC protein kinase ERK1"
,"STE protein kinase TAO subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase RSK subfamily","Tyrosine protein kinase Srm","STE protein kinase PAKB subfamily","CMGC protein kinase Dyrk2
 subfamily","CAMK protein kinase MELK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","AGC: Containing
 PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CK1: Casein kinase 1","Mitogen-activated protein kinases (MAP kinases)","TK: Tyrosine kinase","MAPK-Activ
ated Protein Kinase (MAPKAPK) family","Protein kinase C (PKC) family","STE20 family","Other protein kinases","RSK family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family"
,"CAMK-like (CAMKL) family","CLK family","Death-associated kinase (DAPK) family","TKL: Tyrosine kinase-like","DCAMKL family","Protein kinase G (PKG) family","Protein kinase D (PKD) family","SRPK famil
y","Cyclin-dependent kinase (CDK) family","Testis specific kinase (TSSK) family","CAMK2 family","PIM family","STE7 family","Casein kinase 1 (CK1) family","PDK1 family","Phosphorylase kinase (PHK) fami
ly","JNK subfamily","Receptor tyrosine kinases (RTKs)","MKN subfamily","Alpha subfamily","Non-receptor tyrosine kinases (nRTKs)","KHS subfamily","Aurora kinase (Aur) family","p70 subfamily","Dyrk1 sub
family","CHK1 subfamily","BRSK subfamily","p38 subfamily","CAMKK family","QIK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","HIPK subfamily","CDC7 family","MARK subfamily","Polo-
like kinase (PLK) family","Casein kinase 2 (CK2) family","MSN subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","CDK5 subfamily","CDK1 subfamily","CDK7 subfamily","SLK subfamily
","Mixed Lineage Kinase (MLK) family","IKK family","LIM domain kinase (LISK) family","ERK subfamily","Leucine-rich repeat kinase (LRRK) family","TAO subfamily","AMPK subfamily","RSK subfamily","PAKB s
ubfamily","Dyrk2 subfamily","MELK subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Tec family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XIX RTKs: Leukocyte
 tyrosine kinase (LTK) receptor family","Src family","Type II RTKs: Insulin receptor family","Meta subfamily","Ack family","Fak family","Type I RTKs: ErbB (epidermal growth factor) receptor family","T
ype XVII RTKs: ROS receptors","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","MLK subfamily","LIMK subfamily","
Fer family","Syk family","Janus kinase (JakA) family","Type XIV RTKs: RET"}

> <pathway_reactome>
{"Immune System","Signal Transduction","Neuronal System",Disease,"Gene expression (Transcription)","Cell Cycle","DNA Repair","Organelle biogenesis and maintenance",Hemostasis,Metabolism,"Cellular resp
onses to external stimuli","Programmed Cell Death","Developmental Biology","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Transmission across Chemical Synapses","Infectious disease",
"RNA Polymerase II Transcription","MTOR signalling",Mitotic,"DNA Double-Strand Break Repair","Intracellular signaling by second messengers","Adaptive Immune System","Cilium Assembly","Platelet homeost
asis","Cytokine Signaling in Immune system","Metabolism of lipids","Cellular responses to stress",Apoptosis,"Nervous system development","Diseases of signal transduction by growth factor receptors and
 second messengers","Signaling by GPCR","Signaling by Non-Receptor Tyrosine Kinases","Metabolism of carbohydrates","Toll-like Receptor Cascades","Signaling by Insulin receptor","Neurotransmitter recep
tors and postsynaptic signal transmission","Leishmania infection","Generic Transcription Pathway","Signaling by MST1","mTORC1-mediated signalling","Mitotic G1 phase and G1/S transition","Homology Dire
cted Repair","HIV Infection","PIP3 activates AKT signaling","M Phase","TCR signaling","Anchoring of the basal body to the plasma membrane","Mitotic G2-G2/M phases","Nitric oxide stimulates guanylate c
yclase","Signaling by Interleukins","Sphingolipid metabolism","Cellular Senescence","Caspase activation via extrinsic apoptotic signalling pathway","Signaling by Type 1 Insulin-like Growth Factor 1 Re
ceptor (IGF1R)","Regulation of mitotic cell cycle","Signaling by VEGF","Axon guidance","Signaling by FGFR in disease","GPCR downstream signalling","Signaling by SCF-KIT","Signaling by PTK6","Signaling
 by NTRKs","Glycogen metabolism","Oncogenic MAPK signaling","Toll Like Receptor 5 (TLR5) Cascade","Insulin receptor signalling cascade","Glutamate binding","activation of AMPA receptors and synaptic p
lasticity","Parasite infection","Transcriptional Regulation by TP53","G0 and Early G1","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Host Interactions of HIV factors",
"Negative regulation of the PI3K/AKT network","Activation of NMDA receptors and postsynaptic events","Mitotic Metaphase and Anaphase","Generation of second messenger molecules","G1/S Transition","G2/M
 Transition","cGMP effects","Interleukin-2 family signaling","Sphingolipid de novo biosynthesis","Oxidative Stress Induced Senescence","Caspase activation via Dependence Receptors in the absence of li
gand","IGF1R signaling cascade","APC/C-mediated degradation of cell cycle proteins","VEGF ligand-receptor interactions","Semaphorin interactions","HIV Life Cycle","Signaling by FGFR3 in disease","Toll
 Like Receptor 4 (TLR4) Cascade","Toll Like Receptor 2 (TLR2) Cascade","Signaling by FGFR1 in disease","G alpha (q) signalling events","Transcriptional Regulation by VENTX","PTK6 promotes HIF1A stabil
ization","Leishmania parasite growth and survival","G1 Phase","RET signaling","Signaling by NTRK1 (TRKA)","PTK6 Down-Regulation","Signaling by ROBO receptors","PTEN Regulation","Glycogen breakdown (gl
ycogenolysis)","Signaling by RAS mutants","VEGFA-VEGFR2 Pathway","MyD88 cascade initiated on plasma membrane","IRS-mediated signalling","Trafficking of AMPA receptors","Leishmania phagocytosis","Regul
ation of TP53 Activity","HDR through Homologous Recombination (HRR)","The role of Nef in HIV-1 replication and disease pathogenesis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Post NMDA recepto
r activation events","Mitotic Anaphase","Activation of the pre-replicative complex","Centrosome maturation","Interleukin-2 signaling","IRS-related events triggered by IGF1R","Activation of APC/C and A
PC/C:Cdc20 mediated degradation of mitotic proteins","VEGF binds to VEGFR leading to receptor dimerization","Sema4D in semaphorin signaling","Late Phase of HIV Life Cycle","Signaling by FGFR3 point mu
tants in cancer","MyD88-independent TLR4 cascade","Toll Like Receptor TLR6:TLR2 Cascade","FGFR1 mutant receptor activation","Gastrin-CREB signalling pathway via PKC and MAPK","Anti-inflammatory respon
se favouring Leishmania parasite infection","Cyclin D associated events in G1","Signalling to ERKs","CRMPs in Sema3A signaling","Activation of RAC1","Regulation of PTEN stability and activity","Signal
ing downstream of RAS mutants","VEGFR2 mediated cell proliferation","MAP kinase activation","PI3K Cascade","Trafficking of GluR2-containing AMPA receptors","FCGR3A-mediated phagocytosis","Regulation o
f TP53 Activity through Phosphorylation","Homologous DNA Pairing and Strand Exchange","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Activation of AM
PK downstream of NMDARs","Separation of Sister Chromatids","Long-term potentiation","Loss of proteins required for interphase microtubule organization from the centrosome","APC/C:Cdc20 mediated degrad
ation of mitotic proteins","Sema4D induced cell migration and growth-cone collapse","Transcription of the HIV genome","FGFR3 mutant receptor activation","TRIF(TICAM1)-mediated TLR4 signaling","Regulat
ion of TP53 Expression and Degradation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Signaling by activated point mutants of FGFR1","EGFR Transactivation by Gastrin","CREB1 phosphorylation
 through NMDA receptor-mediated activation of RAS signaling","FCGR3A-mediated IL10 synthesis","Prolonged ERK activation events","Nef and signal transduction","Sema4D mediated inhibition of cell attach
ment and migration","MAPK targets/ Nuclear events mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","Nef Mediated CD4 Down-regulation","activated TAK1 mediates
 p38 MAPK activation","Loss of Nlp from mitotic centrosomes","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","HIV Transcription Elongation","S
ignaling by activated point mutants of FGFR3","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Regulation of TP53 Degradation","Ras activation upon Ca2+ influx through NMDA receptor","Frs2-medi
ated activation","Activation of the AP-1 family of transcription factors","APC-Cdc20 mediated degradation of Nek2A","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Tat-mediated elongation of t
he HIV-1 transcript","ERK/MAPK targets","CREB phosphorylation","Formation of HIV-1 elongation complex containing HIV-1 Tat","ERKs are inactivated"}

> <broad_targets>
{PTK2}

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

> <synonyms>
{761437-28-9,761437289,"NVP-TAE 226","NVPTAE 226",NVP-TAE226,NVPTAE226,TAE226,"TAE226 (NVP-TAE226)","TAE226 (NVPTAE226)",CHEMBL458997,TAE-226,CTx0152960,1042432-58-5,1042432585,"CTx-0152960;CTx 015296
0","CTx0152960;CTx 0152960",C23H25ClN6O3,2jkk,BI9,Kinome_1212,Kinome1212,Kinome-1212,"Kinome 1212","NVP TAE226",MLS006011059,SCHEMBL375524,GTPL9382,CHEBI:91452,DTXS,T1918,S2820}

> <pdid>
PD005165

> <targets>
{FAK,Apoptosis,IGF-1R,"Insulin Receptor",Pyk2}

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

> <pubchem_cids>
{9934347}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13897

> <plate>
PLATE 003

> <well>
D7

> <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_L2200_Tyrosine kinase 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 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -2.5764   -7.5048    0.0000 N   0  0
   -1.2730   -8.2489    0.0000 C   0  0
    0.0221   -7.4921    0.0000 O   0  0
   -1.2647   -9.7497    0.0000 C   0  0
    0.0369  -10.4952    0.0000 C   0  0
    0.0421  -11.9952    0.0000 C   0  0
   -1.2543  -12.7497    0.0000 C   0  0
   -2.5559  -12.0043    0.0000 C   0  0
   -2.5612  -10.5043    0.0000 C   0  0
    1.3445  -12.7411    0.0000 C   0  0
    2.6414  -11.9874    0.0000 F   0  0
    1.3492  -14.2411    0.0000 F   0  0
    2.6458  -13.4872    0.0000 F   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 20 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
 14 28  1  0
 28 29  2  0
 29 11  1  0
  9 30  2  0
 30  5  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13898

> <plate>
PLATE 003

> <well>
D8

> <supplier_cmpd_name>
SKLB 610

> <ctcr_id>
12157

> <supplier_cmpd_id>
T1895

> <smiles>
CNC(=O)c1nccc(Oc2ccc(NC(=O)c3cc(ccc3)C(F)(F)F)cc2)c1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SKLB610,1125780-41-7,1125780417,N-METHYL-4-(4-(3-(TRIFLUOROMETHYL)BENZAMIDO)PHENOXY)PICOLINAMIDE,NMETHYL4(4(3(TRIFLUOROMETHYL)BENZAMIDO)PHENOXY)PICOLINAMIDE,"SKLB 610",N-Methyl-4-(4-(3-(trifluorometh
yl)benzamido)phenoxy)-2-picolinamide,NMethyl4(4(3(trifluoromethyl)benzamido)phenoxy)2picolinamide,SKLB-610,SCHEMBL19878581,AOB4237,EX-A233,EXA233,BCP28112,4048AH,MFCD20261423,s6526,ZIN,T1895}

> <pdid>
PD012440

> <targets>
{FGFR,PDGFR,VEGFR}

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

> <pubchem_cids>
{25230662}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 34 38  0  0  1  0            999 V2000
    1.2991   -0.7517    0.0000 C   0  0
    2.5998   -1.4987    0.0000 C   0  0  2  0  0  0
    2.6028   -2.9995    0.0000 C   0  0
    3.8190   -3.8555    0.0000 N   0  0
    3.3600   -5.2835    0.0000 N   0  0
    1.8608   -5.2881    0.0000 C   0  0
    1.3928   -3.8630    0.0000 N   0  0
   -0.0754   -3.5558    0.0000 C   0  0
   -1.0756   -4.6737    0.0000 C   0  0
   -0.6075   -6.0988    0.0000 C   0  0
    0.8607   -6.4060    0.0000 C   0  0
    1.3287   -7.8311    0.0000 F   0  0
   -2.5445   -4.3663    0.0000 C   0  0
   -3.1398   -3.0034    0.0000 C   0  0
   -4.6308   -3.1673    0.0000 N   0  0
   -4.9357   -4.6360    0.0000 N   0  0
   -3.6331   -5.3798    0.0000 C   0  0
   -5.6398   -2.0574    0.0000 C   0  0
    3.8976   -0.7448    0.0000 N   0  0
    3.8917    0.7552    0.0000 C   0  0
    5.1877    1.5103    0.0000 C   0  0
    6.4897    0.7655    0.0000 C   0  0
    7.7858    1.5206    0.0000 N   0  0
    9.0878    0.7758    0.0000 C   0  0
    9.0937   -0.7242    0.0000 C   0  0
    7.7977   -1.4794    0.0000 C   0  0
    6.4957   -0.7345    0.0000 C   0  0
    5.1996   -1.4897    0.0000 C   0  0
    5.2056   -2.9897    0.0000 O   0  0
   10.3949   -1.4722    0.0000 O   0  0
   10.3987   -2.9730    0.0000 C   0  0
   11.6999   -3.7209    0.0000 C   0  0
   11.7037   -5.2217    0.0000 O   0  0
   13.0042   -5.9693    0.0000 C   0  0
  2  1  1  1
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  3  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
  9 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 13  1  0
 15 18  1  0
  2 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 27 28  1  0
 28 19  1  0
 28 29  2  0
 25 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13899

> <plate>
PLATE 003

> <well>
D9

> <supplier_cmpd_name>
AMG-337

> <ctcr_id>
12600

> <supplier_cmpd_id>
T3209

> <smiles>
C[C@H](c1nnc2n1cc(cc2F)c1cn(nc1)C)n1ccc2ncc(cc2c1=O)OCCOC

> <pd_targets>
{CYP3A4,MET}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450",Kinase,"Cytochrome P450 family 3","Protein Kinase","Cytochrome P450 family 3A","TK protein kinase group","Cytochrome P450 3A4","Tyrosine protein kinase Met family"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Catalytic receptors","CYP3 family","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type X RTKs: HGF (hepatocyte growth factor) recept
or family"}

> <pathway_reactome>
{Metabolism,"Developmental Biology","Metabolism of lipids","Nervous system development","Biosynthesis of specialized proresolving mediators (SPMs)","Axon guidance","Biosynthesis of DHA-derived SPMs","
Semaphorin interactions","Biosynthesis of maresins","Sema4D in semaphorin signaling","Biosynthesis of maresin-like SPMs","Sema4D mediated inhibition of cell attachment and migration"}

> <broad_targets>
{MET}

> <broad_moa>
{"MET inhibitor"}

> <synonyms>
{MG33,"MG 33",AMG-337,AMG337,"AMG 337",1173699-31-4,1173699314,"1173699 31 4",UNII-08WG8S0L8D,UNII08WG8S0L8D,"UNII 08WG8S0L8D",08WG8S0L8D,CHEMBL3785909,GTPL8913,SCHEMBL4304600,"AMG 337 (WHO-DD)","AMG 
337 (WHODD)","AMG 337 (WHO DD)",BCP16602,BDBM50157612,MFCD29472283,NSC789223,NSC800996,s8167,ZINC144562400,CCG-269379,CCG269379,"CCG 269379",CS-5281,CS5281,"CS 5281",NSC-789223,"NSC 789223",NSC-800996
,"NSC 800996",SB19194,compoun,T3209}

> <pdid>
PD071529

> <targets>
{c-Met,Met,Met(H1094R),Met(M1250T),Met(V1092I),Met(Y1230H)}

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

> <pubchem_cids>
{44181686}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13900

> <plate>
PLATE 003

> <well>
D10

> <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_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 27 31  0  0  0  0            999 V2000
    5.1065    0.0000    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 N   0  0
   -2.7390    2.9810    0.0000 C   0  0
   -4.2067    3.2905    0.0000 C   0  0
   -4.9546    1.9903    0.0000 C   0  0
   -3.9492    0.8772    0.0000 N   0  0
   -4.8211    4.6570    0.0000 C   0  0
   -3.9435    5.8735    0.0000 O   0  0
   -6.3142    4.8094    0.0000 C   0  0
   -7.0490    6.1024    0.0000 C   0  0
   -8.5138    5.7830    0.0000 C   0  0
   -9.7318    6.6585    0.0000 C   0  0
  -11.0990    6.0414    0.0000 C   0  0
  -11.2482    4.5488    0.0000 C   0  0
  -10.0302    3.6733    0.0000 C   0  0
   -8.6630    4.2904    0.0000 C   0  0
   -7.2904    3.6874    0.0000 N   0  0
   -1.6199    3.9799    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  2  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  4  1  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 11  1  0
 13 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 24  1  0
 24 25  2  0
 25 20  1  0
 25 26  1  0
 26 18  1  0
 12 27  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13901

> <plate>
PLATE 003

> <well>
D11

> <supplier_cmpd_name>
CH5183284

> <ctcr_id>
12542

> <supplier_cmpd_id>
T6024

> <smiles>
Cc1nc2c([nH]1)cc(cc2)n1c(c(cn1)C(=O)c1cc2ccccc2[nH]1)N

> <pd_targets>
{FGFR3,FGFR4,FGFR1,KDR,FGFR2,SRC,GSC2,PDGFRB,KCNH2}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,Transferase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","TK protein kinase group","Voltage-gated potassium channel","Tyrosine protein kinase FGFR fam
ily","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Src family","Tyrosine protein kinase PDGFR family"}

> <pathway_chembl>
{Receptors,"Ion channels","Catalytic receptors","Voltage-gated ion channels","Receptor kinases","Potassium channels","TK: Tyrosine kinase","Voltage-gated potassium channels","Receptor tyrosine kinases
 (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Src family","T
ype III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Muscle contraction","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Intracellular signaling
 by second messengers","Cardiac conduction","Signaling by FGFR in disease","Signaling by FGFR","Signaling by VEGF","Signaling by NTRKs","PIP3 activates AKT signaling","Phase 3 - rapid repolarisation",
"Signaling by FGFR3 in disease","Signaling by FGFR4","Signaling by FGFR1 in disease","VEGFA-VEGFR2 Pathway","Signaling by FGFR2 in disease","Signaling by NTRK1 (TRKA)","Negative regulation of the PI3K
/AKT network","Signaling by FGFR3 point mutants in cancer","Downstream signaling of activated FGFR4","FGFR1 mutant receptor activation","VEGFR2 mediated cell proliferation","FGFR2 mutant receptor acti
vation","Signalling to ERKs",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","FGFR3 mutant receptor activation","FRS-mediated FGFR4 signaling","Signaling by activated point mutants of FGFR1","Activat
ed point mutants of FGFR2","Signalling to RAS","Signaling by activated point mutants of FGFR3","p38MAPK events"}

> <broad_targets>
{FGFR1,FGFR2,FGFR3}

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

> <synonyms>
{1265229-25-1,1265229251,Debio-1347,Debio1347,CH5183284,"CH5183284 (Debio-1347)","CH5183284 (Debio1347)",CH-5183284,"Debio 1347",UNII-NR9ZYH80Z8,UNIINR9ZYH80Z8,NR9ZYH80Z8,CHEMBL3907479,FF284,zoligrati
nib,DEBIO1347,GTPL9787,SCHEMBL10002991,HMS3674G21,HMS3748K13,BCP14354,EX-A1122,EXA1122,BDBM50197683,MFCD28502053,N,T6024}

> <pdid>
PD018312

> <targets>
{FGFR,FGFR1,FGFR2,FGFR3,FGFR4}

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

> <pubchem_cids>
{66555680}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 30 33  0  0  1  0            999 V2000
   -1.2990   -2.2500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981    0.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
    0.0000    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3000   -2.2500    0.0000 C   0  0
    1.3000   -3.7500    0.0000 O   0  0
    2.6000   -1.5000    0.0000 N   0  0
    3.1130   -0.0905    0.0000 C   0  0
    3.9000   -2.2500    0.0000 C   0  0
    5.2000   -1.5000    0.0000 C   0  0
    5.2000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0
    3.9000    2.2500    0.0000 C   0  0
    2.6000    3.0000    0.0000 C   0  0
    1.3000    2.2500    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0  2  0  0  0
    2.5989   -0.0002    0.0000 C   0  0
    1.3015    2.2494    0.0000 C   0  0
    1.3019    0.7494    0.0000 N   0  0
    2.6012   -0.0002    0.0000 C   0  0
    0.0022    2.9989    0.0000 N   0  0
    6.6257    0.4635    0.0000 C   0  0
    7.5074   -0.7500    0.0000 N   0  0
    6.6257   -1.9635    0.0000 N   0  0
    9.0074   -0.7500    0.0000 C   0  0
    7.0884    1.8885    0.0000 C   0  0
    7.5517    3.3152    0.0000 N   0  0
   -3.8971    0.7500    0.0000 F   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18  5  1  0
 18 19  1  6
 16 20  2  0
 20 21  1  0
 21 22  2  0
 22 14  1  0
 20 23  1  0
 13 24  2  0
 24 25  1  0
 25 26  1  0
 26 12  2  0
 25 27  1  0
 24 28  1  0
 28 29  3  0
  3 30  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13902

> <plate>
PLATE 003

> <well>
E2

> <supplier_cmpd_name>
Lorlatinib

> <ctcr_id>
11907

> <supplier_cmpd_id>
T3061

> <smiles>
c1cc(cc2c1C(=O)N(C)Cc1c(c3cc(O[C@@H]2C)c(nc3)N)c(n(n1)C)C#N)F

> <pd_targets>
{LTK,FES,ALK,PTK2B,FRK,NTRK2,TNK2,NTRK1,NTRK3,FER,ROS1,PTK2,EML4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","Tyrosine protein kinase Alk family","Tyrosine protein kinase Fer family","TKL protein kinase STKR family","Tyrosin
e protein kinase Fak family","Tyrosine protein kinase Src family","Tyrosine protein kinase Trk family","Tyrosine protein kinase Ack family","Tyrosine protein kinase Sev family","TKL protein kinase STK
R Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) rec
eptor family","Fer family","Fak family","Src family","Type VII RTKs: Neurotrophin receptor/Trk family","Ack family","Type XVII RTKs: ROS receptors"}

> <pathway_reactome>
{"Developmental Biology","Immune System","Signal Transduction",Disease,"Nervous system development","Cytokine Signaling in Immune system","Intracellular signaling by second messengers","Signaling by R
eceptor Tyrosine Kinases","Infectious disease","Axon guidance","Signaling by Interleukins","PIP3 activates AKT signaling","Signaling by NTRKs","Signaling by SCF-KIT","Leishmania infection","Semaphorin
 interactions","Interleukin-2 family signaling","PTEN Regulation","Signaling by NTRK1 (TRKA)","Signaling by NTRK3 (TRKC)","Parasite infection","CRMPs in Sema3A signaling","Interleukin-2 signaling","Re
gulation of PTEN stability and activity","Activation of TRKA receptors","Signalling to ERKs","Activated NTRK3 signals through PI3K","Leishmania phagocytosis","NGF-independant TRKA activation","Prolong
ed ERK activation events","FCGR3A-mediated phagocytosis","ARMS-mediated activation"}

> <broad_targets>
{ALK,FES,ROS1}

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

> <synonyms>
{2641AH,Lorlatinib,1454846-35-5,1454846355,PF-06463922,PF06463922,Loratinib,Lorbrena,UNII-OSP71S83EU,UNIIOSP71S83EU,"PF 06463922",OSP71S83EU,CHEMBL3286830,C21H19FN6O2,"Lorlatinib (PF-06463922)","Lorla
tinib (PF06463922)","1454846-35-5 (free base)","1454846355 (free base)",MFCD28144520,lorlatinibum,Lorviqua,PF-,PF,T3061}

> <pdid>
PD013003

> <targets>
{ALK,"ALK (L1196M)",ROS1,"LTK (TYK1)",Apoptosis,ROS}

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

> <pubchem_cids>
{71731823}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 26 27  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 N   0  0
    1.3039   -3.7494    0.0000 C   0  0
    2.6016   -2.9971    0.0000 O   0  0
    1.3070   -5.2502    0.0000 N   0  0
    2.6078   -5.9988    0.0000 C   0  0
    2.6131   -7.4988    0.0000 C   0  0
    1.3167   -8.2533    0.0000 O   0  0
    3.9147   -8.2443    0.0000 C   0  0
    5.2112   -7.4898    0.0000 C   0  0
    5.2060   -5.9898    0.0000 C   0  0
    3.9044   -5.2443    0.0000 C   0  0
    6.5031   -5.2349    0.0000 C   0  0
    7.8052   -5.9796    0.0000 F   0  0
    6.4975   -3.7349    0.0000 F   0  0
    7.7992   -4.4798    0.0000 F   0  0
   -2.5981   -1.5000    0.0000 O   0  0
    2.5988    1.5004    0.0000 C   0  0
    3.8983    0.7513    0.0000 F   0  0
    2.5983    3.0004    0.0000 F   0  0
    3.8975    2.2511    0.0000 F   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 11  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
  5 22  1  0
  2 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13903

> <plate>
PLATE 003

> <well>
E3

> <supplier_cmpd_name>
NS1643

> <ctcr_id>
11470

> <supplier_cmpd_id>
T3192

> <smiles>
c1c(ccc(c1NC(=O)Nc1c(O)ccc(c1)C(F)(F)F)O)C(F)(F)F

> <pd_targets>
{KCNMA1,RORC,KCNH2,KMT2A,MEN1,KCNH6,KCNH7}

> <pathway_gtopdb>
{"Ion channel","Transcription factor","Epigenetic regulator","Voltage-gated ion channel","Nuclear receptor",Reader,"Potassium channels","Nuclear hormone receptor subfamily 1",Bromodomain,"Calcium-acti
vated potassium channel","Nuclear hormone receptor subfamily 1 group F","Voltage-gated potassium channel","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{"Ion channels",Receptors,"Voltage-gated ion channels","Nuclear hormone receptors","Potassium channels","1F. Retinoic acid-related orphans","Calcium- and sodium-activated potassium channels","Voltage-
gated potassium channels"}

> <pathway_reactome>
{Hemostasis,"Gene expression (Transcription)","Muscle contraction","Neuronal System","Platelet homeostasis","RNA Polymerase II Transcription","Cardiac conduction","Potassium Channels","Nitric oxide st
imulates guanylate cyclase","Generic Transcription Pathway","Phase 3 - rapid repolarisation","Voltage gated Potassium channels","cGMP effects","Transcriptional regulation by RUNX3","RUNX3 Regulates Im
mune Response and Cell Migration"}

> <broad_targets>
{KCNH2,KCNH6,KCNMA1}

> <broad_moa>
{"voltage-gated potassium channel activator"}

> <synonyms>
{448895-37-2,448895372,NS1643,"1,3-Bis(2-hydroxy-5-(trifluoromethyl)phenyl)urea","1,3Bis(2hydroxy5(trifluoromethyl)phenyl)urea",NS-1643,"NS 1643",UNII-0I579CNG0I,UNII0I579CNG0I,"1,3-bis(2-hydroxy-5-(t
rifluoromethyl)phenyl)urea","1,3bis(2hydroxy5(trifluoromethyl)phenyl)urea",0I579CNG0I,"N,N'-Bis(2-hydroxy-5-(trifluoromethyl)phenyl)urea","N,N'Bis(2hydroxy5(trifluoromethyl)phenyl)urea",MFCD08705418,1
,3-Bis(2-hydrox,3Bis(2hydrox,T3192}

> <pdid>
PD038637

> <targets>
{hERG}

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

> <pubchem_cids>
{10177784}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
   -1.1509   -2.6325    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    0.7960   -4.3861    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 N   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6017    2.9971    0.0000 O   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0080    6.0003    0.0000 C   0  0
   -0.0080    7.5003    0.0000 C   0  0
   -1.3071    8.2503    0.0000 C   0  0
   -2.6061    7.5003    0.0000 N   0  0
   -2.6061    6.0003    0.0000 C   0  0
   -3.9074    5.2525    0.0000 N   0  0
   -5.2060    6.0048    0.0000 C   0  0
   -6.5073    5.2571    0.0000 C   0  0
   -7.8064    6.0070    0.0000 C   0  0
   -9.1055    5.2571    0.0000 C   0  0
   -9.1055    3.7571    0.0000 N   0  0
   -7.8065    3.0070    0.0000 C   0  0
   -6.5075    3.7570    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
  8 26  2  0
 26 27  1  0
 27 28  2  0
 28  2  1  0
 28  6  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13904

> <plate>
PLATE 003

> <well>
E4

> <supplier_cmpd_name>
Motesanib

> <ctcr_id>
2084

> <supplier_cmpd_id>
T2288

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

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

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

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

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

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

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

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

> <pdid>
PD012969

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

> <classes>
{}

> <pubchem_cids>
{11667893}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13905

> <plate>
PLATE 003

> <well>
E5

> <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_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   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 N   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -3.9073    5.2404    0.0000 N   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -0.0128    6.0039    0.0000 F   0  0
   -5.2008    2.9882    0.0000 N   0  0
   -6.5021    3.7360    0.0000 C   0  0
   -7.8012    2.9860    0.0000 C   0  0
   -9.1002    3.7360    0.0000 C   0  0
   -9.1002    5.2360    0.0000 C   0  0
   -7.8012    5.9860    0.0000 C   0  0
   -6.5021    5.2360    0.0000 C   0  0
  -10.3993    2.9860    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
  3  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 14 15  1  0
 11 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
 19 23  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13906

> <plate>
PLATE 003

> <well>
E6

> <supplier_cmpd_name>
(E)-Elafibranor

> <ctcr_id>
12818

> <supplier_cmpd_id>
T3185

> <smiles>
c1cc(cc(c1)O)Nc1nc(ncc1F)Nc1cc(ccc1)O

> <pd_targets>
{SYK}

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

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

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Anti-inflammatory response favouring Leishmania parasite infection","FCGR3A-mediated IL10 synthesis"}

> <broad_targets>
{SYK}

> <broad_moa>
{"SYK inhibitor"}

> <synonyms>
{E)ELAFIBRANO,R112,575474-82-7,575474827,R-112,"R 112 (pharMaceutical)",CHEMBL515271,"3,3'-((5-Fluoropyrimidine-2,4-diyl)bis(azanediyl))diphenol","3,3'((5Fluoropyrimidine2,4diyl)bis(azanediyl))dipheno
l",3-((5-fluoro-2-(3-hydroxyanilino)pyrimidin-4-yl)amino)phenol,3((5fluoro2(3hydroxyanilino)pyrimidin4yl)amino)phenol,3-((5-fluoro-4-((3-hydroxyphenyl)amino)pyrimidin-2-yl)am,3((5fluoro4((3hydroxyphen
yl)amino)pyrimidin2yl)am,T3185,(E)-Elafibranor}

> <pdid>
PD056471

> <targets>
{Syk}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{9904854}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 40 44  0  0  0  0            999 V2000
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 N   0  0
    2.5847   -6.0040    0.0000 C   0  0
    2.5795   -7.5040    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
   -2.5981    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
   -1.2991    5.2500    0.0000 O   0  0
    0.0000    3.0000    0.0000 N   0  0
    1.2990    3.7500    0.0000 C   0  0
   -3.8978    3.7504    0.0000 C   0  0
   -3.8955    5.2504    0.0000 C   0  0
   -5.1934    6.0025    0.0000 C   0  0
   -6.4936    5.2545    0.0000 C   0  0
   -6.4960    3.7545    0.0000 C   0  0
   -5.1981    3.0025    0.0000 C   0  0
   -5.2005    1.5025    0.0000 C   0  0
   -5.1941    7.5033    0.0000 N   0  0
   -6.4937    8.2539    0.0000 C   0  0
   -7.7926    7.5037    0.0000 O   0  0
   -6.4944    9.7547    0.0000 C   0  0
   -7.7923   10.5069    0.0000 C   0  0
   -7.7900   12.0069    0.0000 C   0  0
   -6.4898   12.7548    0.0000 C   0  0
   -5.1919   12.0028    0.0000 C   0  0
   -5.1942   10.5028    0.0000 C   0  0
   -3.8910   12.7512    0.0000 C   0  0
   -3.8877   14.2512    0.0000 F   0  0
   -2.5933   11.9988    0.0000 F   0  0
   -2.5904   13.4986    0.0000 F   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  3  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 11  1  0
 19 20  1  0
 16 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 26 27  1  0
 23 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
 35 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13907

> <plate>
PLATE 003

> <well>
E7

> <supplier_cmpd_name>
GNF-7

> <ctcr_id>
11993

> <supplier_cmpd_id>
T3196

> <smiles>
c1cc(cnc1C)Nc1nc2c(cn1)CN(C(=O)N2C)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F

> <pd_targets>
{ABL1,BCR,TNK2,MAP4K2,BMX}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","Atypical protein kinase group","TK protein kinase group","STE protein kinase group","Atypical protein kinase BCR family","Tyrosine protein kinase Ack family","STE prot
ein kinase STE20 family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Tec 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","Abl family","Tec family"}

> <pathway_reactome>
{Disease,Metabolism,"Infectious disease","Metabolism of lipids","Leishmania infection","Phospholipid metabolism","Parasite infection","PI Metabolism","Leishmania phagocytosis","Synthesis of PIPs at th
e plasma membrane","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{GCK,TNK2}

> <broad_moa>
{"glucokinase inhibitor","protein kinase inhibitor"}

> <synonyms>
{NF,GNF-7,GNF7,839706-07-9,839706079,"GNF 7",CHEMBL1214141,"CID 11478363",SCHEMBL3135042,EX-A826,EXA826,BCP17217,BDBM50323777,MFCD18251569,s8140,ZINC58541155,AKOS025291029,CCG-269989,CCG269989,CS-5551
,CS5551,PB34926,NCGC00476210-01,NCGC0047621001,AC-32985,AC32985,HY-10943,HY10943,DS-017358,DS017358,Q-4515,Q4515,T3196}

> <pdid>
PD038142

> <targets>
{Bcr-Abl,M351T,c-Abl,E255V,G250E,T315I}

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

> <pubchem_cids>
{11478363}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 25 26  0  0  0  0            999 V2000
   10.3830   -3.0745    0.0000 Na  0  3
   -0.2237   -5.5078    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 O   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8794   -1.4442    0.0000 C   0  0
    4.3452   -0.0183    0.0000 O   0  0
    4.8823   -2.5608    0.0000 C   0  0
    6.3506   -2.2538    0.0000 C   0  0
    7.3506   -3.3718    0.0000 C   0  0
    6.8824   -4.7969    0.0000 C   0  0
    7.8825   -5.9149    0.0000 N   0  0
    5.4142   -5.1039    0.0000 C   0  0
    4.4142   -3.9859    0.0000 C   0  0
    4.9428   -6.5288    0.0000 C   0  0
    3.4741   -6.8338    0.0000 O   0  0
    5.9409   -7.6485    0.0000 O   0  5
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 16 10  1  0
 15 17  1  0
 17 18  2  0
 17 19  1  0
  7 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25  4  2  0
 25 20  1  0
M  CHG  2   1   1  19  -1
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13908

> <plate>
PLATE 003

> <well>
E8

> <supplier_cmpd_name>
SSR128129E

> <ctcr_id>
2091

> <supplier_cmpd_id>
T6082

> <smiles>
[Na+].COc1c(C)c(C(=O)c2ccc(N)c(c2)C(=O)[O-])n3ccccc13

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Q27105010,SSR128129E,848318-25-2,848318252,"FGFR inhibitor","sodium 2-amino-5-(1-methoxy-2-methylindolizine-3-carbonyl)benzoate","sodium 2amino5(1methoxy2methylindolizine3carbonyl)benzoate","sodium 2
-amino-5-((1-methoxy-2-methylindolizin-3-yl)carbonyl)benzoate","sodium 2amino5((1methoxy2methylindolizin3yl)carbonyl)benzoate",SSR,"SSR 128129E",SCHEMBL3954653,CHEBI:73280,C18H15N2O4.Na,T6082,S7167}

> <pdid>

> <targets>
{FGFR}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{68853159}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13909

> <plate>
PLATE 003

> <well>
E9

> <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_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 28 33  0  0  1  0            999 V2000
    2.5840   -8.2829    0.0000 O   0  0
    2.8570   -6.8080    0.0000 C   0  0
    4.2107   -6.1619    0.0000 N   0  0
    4.0146   -4.6747    0.0000 C   0  0
    5.0960   -3.6352    0.0000 O   0  0
    2.5536   -4.4230    0.0000 C   0  0  2  0  0  0
    1.8242   -5.7201    0.0000 C   0  0  2  0  0  0
    0.3349   -5.9052    0.0000 C   0  0
   -0.5693   -4.7231    0.0000 C   0  0
   -1.9763   -5.2432    0.0000 N   0  0
   -1.9162   -6.7412    0.0000 C   0  0
   -2.9899   -7.7886    0.0000 C   0  0
   -2.6197   -9.2422    0.0000 C   0  0
   -1.1758   -9.6484    0.0000 C   0  0
   -0.1020   -8.6010    0.0000 C   0  0
   -0.4722   -7.1474    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5085   -1.7165    0.0000 C   0  0
   -2.3518   -3.2083    0.0000 C   0  0
   -0.9815   -3.8184    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  1
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16  8  1  0
 16 11  1  0
  6 17  1  6
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 17  1  0
 27 28  2  0
 28 19  1  0
 28 23  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13910

> <plate>
PLATE 003

> <well>
E10

> <supplier_cmpd_name>
Tivantinib

> <ctcr_id>
7627

> <supplier_cmpd_id>
T6117

> <smiles>
O=C1NC(=O)[C@H]([C@@H]1c2c[nH]c3ccccc23)c4cn5CCCc6cccc4c56

> <pd_targets>
{MET}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","Semaphorin interactions","Sema4D in semaphorin signaling","Sema4D mediated inhibition of cell attachment and migration"}

> <broad_targets>
{MET}

> <broad_moa>
{"tyrosine kinase inhibitor"}

> <synonyms>
{"Tivantinib (USAN:INN)","Tivantinib; ARQ197","ARQ 197, Tivantinib",Tivantinib,905854-02-6,905854026,"ARQ 197",ARQ-197,ARQ197,UNII-PJ4H73IL17,UNIIPJ4H73IL17,"Tivantinib (ARQ 197)",PJ4H73IL17,1000873-9
8-2,1000873982,905853-99-8,905853998,"ARQ 197 (Tivantinib)","Tivantinib (ARQ-19","Tivantinib (ARQ19",T6117,A-1109,S2753,"Tivantinib | ARQ-197"}

> <pdid>
PD003457

> <targets>
{c-Met,Apoptosis,c-Met/HGFR}

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

> <pubchem_cids>
{11494412}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 41 45  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3070   -5.2502    0.0000 C   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4996    0.0000 N   0  0
   -3.9099   -8.2497    0.0000 C   0  0
   -3.9099   -9.7497    0.0000 C   0  0
   -2.6109  -10.4997    0.0000 C   0  0
   -1.3119   -9.7497    0.0000 C   0  0
   -1.3118   -8.2497    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2997    3.7504    0.0000 N   0  0
    1.3021    5.2504    0.0000 C   0  0
    2.6024    5.9984    0.0000 C   0  0
    3.9002    5.2463    0.0000 N   0  0
    3.8978    3.7463    0.0000 C   0  0
    2.5976    2.9984    0.0000 C   0  0
    5.2027    5.9920    0.0000 C   0  0
    5.2077    7.4920    0.0000 O   0  0
    6.5002    5.2377    0.0000 N   0  0
    7.8027    5.9834    0.0000 C   0  0
    9.1006    5.2313    0.0000 C   0  0
   10.4008    5.9793    0.0000 C   0  0
   10.4032    7.4793    0.0000 C   0  0
   11.7026    8.2303    0.0000 O   0  0
   11.7029    9.7311    0.0000 C   0  0
   13.0016   10.4817    0.0000 C   0  0
   10.4038   10.4809    0.0000 C   0  0
    9.1054    8.2313    0.0000 C   0  0
    7.8051    7.4834    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
  6 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22  5  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 23  1  0
 26 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  1  0
 35 40  1  0
 40 41  2  0
 41 32  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13911

> <plate>
PLATE 003

> <well>
E11

> <supplier_cmpd_name>
Tandutinib

> <ctcr_id>
4148

> <supplier_cmpd_id>
T1667

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

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

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

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

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

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

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

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

> <pdid>
PD003630

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

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

> <pubchem_cids>
{3038522}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    7.7884    1.5181    0.0000 F   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8994   -3.7478    0.0000 O   0  0
   -5.1981   -2.9955    0.0000 C   0  0
   -6.4993   -3.7433    0.0000 C   0  0
   -7.7980   -2.9910    0.0000 C   0  0
   -9.0993   -3.7387    0.0000 N   0  0
  -10.3984   -2.9888    0.0000 C   0  0
  -11.6975   -3.7388    0.0000 C   0  0
  -11.6975   -5.2388    0.0000 O   0  0
  -10.3985   -5.9888    0.0000 C   0  0
   -9.0994   -5.2388    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 N   0  0
    0.0049   -5.9994    0.0000 C   0  0
    1.3026   -5.2471    0.0000 O   0  0
    0.0080   -7.5002    0.0000 C   0  0
    1.3081   -8.2484    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    5.1852    3.0091    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 13 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  2  0
 24 30  1  0
 30 31  2  0
 31  7  1  0
 31 11  1  0
  5 32  1  0
 32 33  2  0
 33  2  1  0
 33 34  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13912

> <plate>
PLATE 003

> <well>
F2

> <supplier_cmpd_name>
Canertinib dihydrochloride

> <ctcr_id>
896

> <supplier_cmpd_id>
T2501

> <smiles>
Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl

> <pd_targets>
{KIT,RIOK1,TXK,MKNK1,TEC,TGFBR1,TGFBR2,ABL1,SIK2,BLK,EGFR,LYN,MAP3K20,ABL2,EPHA4,EPHA8,SRMS,YES1,ERBB4,EPHA1,MAP3K4,MAP2K1,FLT1,BMP2K,MAP4K5,BMX,SRC,BTK,LCK,RIPK2,GAK,ITK,FLT3,CTSC,ERBB2,HCK,MINK1,PDG
FRB,SLK,MAPK4,IRAK3,EPHB1,MAPK9,EPHA3,AURKB,AURKC,STK36,FGR,PTK6,JAK3,MAP3K19,LRRK2,AXL,FRK,MKNK2,MAP3K3,STK17B,EPHB6,STK35,CSNK1D,TYRO3,COQ8B,TESK1,CIT,TNNI3K,EPHA5,MAPK6,COQ8A,ERBB3,DYRK2,MAP4K2,ACV
R1,MAPK14,RET,RPS6KA1,MAP3K2,LTK,FYN,EPHB2,MAPK10,STK10,EPHA6,DDR1,EPHA7,MET,PDGFRA,TIE1,ALK,TUBA1A,DYRK1A,MAP2K5,EPHB4,IRAK4,CSNK1E,CSK,MAP2K2,ULK3,HUNK,BMPR1B,HIPK4,IRAK1,MAP3K7,DMPK,STK17A,TNIK,MAP
2K7,SIK3}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Structural protein",Kinase,Protease,"Protein Kinase","Cysteine protease","TK protein kinase group","Atypical protein kinase group","CAMK protein kinase group","TKL prot
ein kinase group","STE protein kinase group","Other protein kinase group","Cysteine protease CA clan","CMGC protein kinase group","CK1 protein kinase group","AGC protein kinase group","Tyrosine protei
n kinase PDGFR family","Atypical protein kinase RIO family","Tyrosine protein kinase Tec family","CAMK protein kinase MAPKAPK family","TKL protein kinase STKR family","Tyrosine protein kinase Abl fami
ly","CAMK protein kinase CAMK1 family","Tyrosine protein kinase Src family","Tyrosine protein kinase EGFR family","TKL protein kinase MLK family","Tyrosine protein kinase Eph family","STE protein kina
se STE11 family","STE protein kinase STE7 family","Tyrosine protein kinase VEGFR family","Other protein kinase NAK family","STE protein kinase STE20 family","TKL protein kinase RIPK family","Cysteine 
protease C1A family","CMGC protein kinase MAPK family","TKL protein kinase IRAK family","Other protein kinase AUR family","Other protein kinase ULK family","Tyrosine protein kinase JakA family","TKL p
rotein kinase LRRK family","Tyrosine protein kinase Axl family","CAMK protein kinase DAPK family","Other protein kinase NKF4 family","CK1 protein kinase CK1 family","Atypical protein kinase ABC1 famil
y","TKL protein kinase LISK family","AGC protein kinase DMPK family","CMGC protein kinase DYRK family","Tyrosine protein kinase Ret family","AGC protein kinase RSK family","Tyrosine protein kinase Alk
 family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Met family","Tyrosine protein kinase Tie family","Tyrosine protein kinase Csk family","Atypical protein kinase RIO1 subfamily","C
AMK protein kinase MNK subfamily","TKL protein kinase STKR Type 1 subfamily","TKL protein kinase STKR Type 2 subfamily","CAMK protein kinase QIK subfamily","TKL protein kinase MLK subfamily","Tyrosine
 protein kinase Srm","STE protein kinase KHS subfamily","STE protein kinase MSN subfamily","STE protein kinase SLK subfamily","CMGC protein kinase ERK3","CMGC protein kinase JNK subfamily","STE protei
n kinase MEKK2","Atypical protein kinase ABC1-A subfamily","TKL protein kinase TESK subfamily","AGC protein kinase CRIK subfamily","TKL protein kinase HH498 subfamily","CMGC protein kinase Dyrk2 subfa
mily","TKL protein kinase STKR1","CMGC protein kinase p38 subfamily","AGC protein kinase RSK subfamily","Tyrosine protein kinase SrcA","CMGC protein kinase Dyrk1 subfamily","CMGC protein kinase HIPK s
ubfamily","TKL protein kinase TAK1 subfamily","AGC protein kinase GEK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Other protein targets","Catalytic receptors","Kinases (EC 2.7.x.x)","Peptidases and proteinases",Tubulins,"Receptor kinases",Atypical,"CAMK: Calcium/calmodulin-dependent protein ki
nases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CA: Cysteine (C) Peptidases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","AGC: Containing PKA",P
KG,"PKC families","TK: Tyrosine kinase","RIO family","MAPK-Activated Protein Kinase (MAPKAPK) family","TKL: Tyrosine kinase-like","CAMK-like (CAMKL) family","STE11 family","STE7 family","Other protein
 kinases","STE20 family","C1: Papain","Mitogen-activated protein kinases (MAP kinases)","Death-associated kinase (DAPK) family","Casein kinase 1 (CK1) family","ABC1 family","DMPK family","Dual-specifi
city tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","RSK family","Receptor tyrosine kinases (RTKs)","RIO1 subfamily","Non-receptor tyrosine kinases (nRTKs)","MKN subfamily","Receptor ser
ine/threonine kinase (RSTK) family","QIK subfamily","Mixed Lineage Kinase (MLK) family","Numb-associated kinase (NAK) family","KHS subfamily","Receptor interacting protein kinase (RIPK) family","MSN s
ubfamily","SLK subfamily","ERK subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","JNK subfamily","Aurora kinase (Aur) family","Unc-51-like kinase (ULK) family","STE20 subfamily","Leu
cine-rich repeat kinase (LRRK) family","NKF4 family","ABC1-B subfamily","LIM domain kinase (LISK) family","Other DMPK family kinases","Dyrk2 subfamily","p38 subfamily","RSK subfamily","Dyrk1 subfamily
","HUNK subfamily","HIPK subfamily","GEK subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Tec family","Type I receptor serine/threonine kinases","Type II receptor serine/threonine ki
nases","Abl family","Src family","Type I RTKs: ErbB (epidermal growth factor) receptor family","MLK subfamily","Type XIII RTKs: Ephrin receptor family","Type IV RTKs: VEGF (vascular endothelial growth
 factor) receptor family","Janus kinase (JakA) family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","TESK subfamily","HH498 subfamily","Type XIV RTKs: RET","Type XIX RTKs: Leukocyte 
tyrosine kinase (LTK) receptor family","Type XVI RTKs: DDR (collagen receptor) family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XII RTKs: TIE family of angiopoietin receptor
s","Csk family","TAK1 subfamily"}

> <pathway_reactome>
{Disease,"Metabolism of RNA","Immune System","Signal Transduction","Gene expression (Transcription)","Developmental Biology","Neuronal System",Metabolism,"Vesicle-mediated transport","Metabolism of pr
oteins","Cellular responses to external stimuli","Cell Cycle","Cell-Cell communication","Extracellular matrix organization","Muscle contraction","Diseases of signal transduction by growth factor recep
tors and second messengers","rRNA processing","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Cytokine Signaling in Immune system","Infectious disease","RNA Polymerase II Transcriptio
n","Signaling by GPCR","Nervous system development","Signaling by Non-Receptor Tyrosine Kinases","Transmission across Chemical Synapses","Metabolism of lipids","Membrane Trafficking","Adaptive Immune 
System","Post-translational protein modification","Cellular responses to stress","Intracellular signaling by second messengers","MAPK family signaling cascades",Mitotic,"Cell junction organization","S
ignaling by Rho GTPases","Non-integrin membrane-ECM interactions","Signaling by Hedgehog","Signaling by TGFB family members","Cardiac conduction","Signaling by KIT in disease","rRNA processing in the 
nucleus and cytosol","Fc epsilon receptor (FCERI) signaling","Signaling by FGFR","Signaling by Interleukins","Signaling by TGF-beta Receptor Complex in Cancer","Leishmania infection","Generic Transcri
ption Pathway","GPCR downstream signalling","Axon guidance","Signaling by PTK6","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by NTRKs","Signaling by VEGF","Phospholipid
 metabolism","HIV Infection","Toll-like Receptor Cascades","trans-Golgi Network Vesicle Budding","TCR signaling","Signaling by Insulin receptor","Asparagine N-linked glycosylation","Cellular Senescenc
e","PIP3 activates AKT signaling","MAPK6/MAPK4 signaling","M Phase","Mitotic G1 phase and G1/S transition","Mitotic G2-G2/M phases","Cell-extracellular matrix interactions","RHO GTPase Effectors","Neu
trophil degranulation","Signaling by PDGFR in disease","Oncogenic MAPK signaling","Hedgehog 'on' state","Signaling by BMP","Ion homeostasis","Drug resistance of KIT mutants","Major pathway of rRNA pro
cessing in the nucleolus and cytosol","FCERI mediated Ca+2 mobilization","Signaling by FGFR4",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Loss of Function of SMAD2/3 in Cancer","Parasite infec
tion","Transcriptional regulation by RUNX1","G alpha (q) signalling events","Leishmania parasite growth and survival","Signaling by ROBO receptors","EPH-Ephrin signaling","PTK6 Down-Regulation","Activ
ation of NMDA receptors and postsynaptic events","Signaling by NTRK1 (TRKA)","VEGF ligand-receptor interactions","PI Metabolism","Host Interactions of HIV factors","Toll Like Receptor 5 (TLR5) Cascade
","Golgi Associated Vesicle Biogenesis","Generation of second messenger molecules","Insulin receptor signalling cascade","Transport to the Golgi and subsequent modification","Semaphorin interactions",
"Oxidative Stress Induced Senescence","Negative regulation of the PI3K/AKT network","Toll Like Receptor 2 (TLR2) Cascade","Mitotic Metaphase and Anaphase","G1 Phase","Interleukin-2 family signaling","
PTK6 promotes HIF1A stabilization","VEGFA-VEGFR2 Pathway","PTEN Regulation","Interleukin-1 family signaling","G2/M Transition","Regulation of cytoskeletal remodeling and cell spreading by IPP complex 
components","RHO GTPases activate CIT","Transcriptional Regulation by TP53","RET signaling","Drug resistance of PDGFR mutants","G0 and Early G1","Signaling by RAS mutants","Toll Like Receptor 4 (TLR4)
 Cascade","Dasatinib-resistant KIT mutants","Negative regulation of FGFR4 signaling","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Leishmania phagocytosis","RUNX1 regulates transcription of genes
 involved in BCR signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Anti-inflammatory response favouring Leishmania parasite infection","Role of ABL in ROBO-SLIT signaling","EPHA-mediated 
growth cone collapse","Post NMDA receptor activation events","Signalling to ERKs","VEGF binds to VEGFR leading to receptor dimerization","Synthesis of PIPs at the plasma membrane","The role of Nef in 
HIV-1 replication and disease pathogenesis","MyD88 cascade initiated on plasma membrane","IRS-mediated signalling","ER to Golgi Anterograde Transport","Sema4D in semaphorin signaling",PI5P,"PP2A and I
ER3 Regulate PI3K/AKT Signaling","Toll Like Receptor TLR6:TLR2 Cascade","EPHB-mediated forward signaling","Mitotic Anaphase","Cyclin D associated events in G1","Interleukin-15 signaling","Regulation o
f PTEN stability and activity","Interleukin-1 signaling","Centrosome maturation","Regulation of TP53 Activity","Imatinib-resistant PDGFR mutants","Signalling to ERK5","Signaling downstream of RAS muta
nts","MyD88-independent TLR4 cascade","Spry regulation of FGF signaling","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","FCGR3A-mediated IL10 synthesis","Long-term potentiation","Pro
longed ERK activation events","Signalling to RAS","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","MAP kinase activation","PI3K Cascade","Cargo concent
ration in the ER","Sema4D induced cell migration and growth-cone collapse","Nef and signal transduction","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Separation of Sister Chromatids","Loss
 of proteins required for interphase microtubule organization from the centrosome","Regulation of TP53 Activity through Phosphorylation","Sema4D mediated inhibition of cell attachment and migration","
TRIF(TICAM1)-mediated TLR4 signaling","Frs2-mediated activation","p38MAPK events","Nef Mediated CD4 Down-regulation","activated TAK1 mediates p38 MAPK activation","MAPK targets/ Nuclear events mediate
d by MAP kinases","Loss of Nlp from mitotic centrosomes","TRAF6-mediated induction of TAK1 complex within TLR4 complex","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human
 TAK1","Activation of the AP-1 family of transcription factors","CREB phosphorylation"}

> <broad_targets>
{AKT1,EGFR,ERBB2,ERBB4}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{I1033(CANERTINIB,Canertinib,267243-28-7,267243287,CI-1033,CI1033,"Canertinib (CI-1033)","Canertinib (CI1033)",UNII-C78W1K5ASF,UNIIC78W1K5ASF,PD-183805,PD183805,"Canertinib free base",C78W1K5ASF,CHEMB
L31965,CHEBI:61399,"267243-28-7 (free base)","267243287 (free base)",NCGC00182713-01,NCGC0018271301,CI-1033(Canertinib),CI1033(Canertinib),"Canertinib (INN:BAN)",PubCh,T2501,T6136,S1019,"Canertinib di
hydrochloride",canertinib,CANERTINIB}

> <pdid>
PD003440

> <targets>
{HER2,HER1/2/4}

> <classes>
{}

> <pubchem_cids>
{156414}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -2.5981    3.0000    0.0000 O   0  0
    6.4924   -3.7566    0.0000 O   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 11  1  0
 16 17  1  0
 17  7  1  0
 14 18  1  0
 13 19  1  0
 12 20  1  0
  3 21  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13913

> <plate>
PLATE 003

> <well>
F3

> <supplier_cmpd_name>
Scutellarein

> <ctcr_id>
11478

> <supplier_cmpd_id>
T3319

> <smiles>
c1cc(ccc1c1cc(=O)c2c(c(c(cc2o1)O)O)O)O

> <pd_targets>
{PKM,UGT1A1,NA,CYP1A1,GRK6,AMY1A,CYP1B1,AURKB,GABRA1,GABRA2,GABRA3,GABRA4,GABRA5,GABRA6,GABRB1,GABRB2,GABRB3,GABRD,GABRE,GABRG1,GABRG2,GABRG3,GABRP,GABRQ,PTPRS,XDH,NEU2,PPARG}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Transcription factor",Transferase,Hydrolase,"Cytochrome P450",Kinase,"Ligand-gated ion channel",Phosphatase,Oxidoreductase,"Nuclear receptor","Cytochrome P450 family 1","Protein
 Kinase","GABA-A receptor","Protein Phosphatase","Nuclear hormone receptor subfamily 1","Cytochrome P450 family 1A","AGC protein kinase group","Cytochrome P450 family 1B","Other protein kinase group",
"Tyrosine protein phosphatase","Nuclear hormone receptor subfamily 1 group C","Cytochrome P450 1A1","AGC protein kinase GRK family","Cytochrome P450 1B1","Other protein kinase AUR family","Receptor ty
rosine-protein phosphatase","Nuclear hormone receptor subfamily 1 group C member 3","AGC protein kinase GRK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"2.7.1.40 Pyruvate kinases","UDP glucuronosyltransferases (UGT)","Cytochrome P450","Kinases (EC 2.7.x.x)","Catalytic receptors","1.-.-.- Oxidoreductases","Nuclear hormone receptors"
,"CYP1 family","AGC: Containing PKA",PKG,"PKC families","Receptor kinases","Receptor tyrosine phosphatase (RTP) family","1C. Peroxisome proliferator-activated receptors","G protein-coupled receptor ki
nases (GRKs)","Other protein kinases","GRK4 subfamily","Aurora kinase (Aur) family"}

> <pathway_reactome>
{Metabolism,Disease,"Signal Transduction","Cell Cycle","Metabolism of proteins","Gene expression (Transcription)","Metabolism of carbohydrates","Diseases of metabolism","Infectious disease","Biologica
l oxidations","Signaling by GPCR",Mitotic,"Signaling by Receptor Tyrosine Kinases","Metabolism of nucleotides","Post-translational protein modification","RNA Polymerase II Transcription","Glucose meta
bolism","Metabolic disorders of biological oxidation enzymes","Influenza Infection","Phase I - Functionalization of compounds","GPCR downstream signalling","M Phase","Signaling by NTRKs","Nucleobase c
atabolism","Asparagine N-linked glycosylation","Generic Transcription Pathway",Glycolysis,"Defective UGT1A1 causes hyperbilirubinemia","Virus Assembly and Release","Cytochrome P450 - arranged by subst
rate type","G alpha (s) signalling events","Mitotic Metaphase and Anaphase","Signaling by NTRK3 (TRKC)","Purine catabolism","Biosynthesis of the N-glycan precursor (dolichol lipid-linked oligosacchari
de","LLO) and transfer to a nascent protein","Transcriptional Regulation by MECP2","Assembly of Viral Components at the Budding Site",Xenobiotics,"Endogenous sterols","Mitotic Anaphase","Synthesis of 
substrates in N-glycan biosythesis","MECP2 regulates transcription factors","Transport of HA trimer","NA tetramer and M2 tetramer from the endoplasmic reticulum to the Golgi Apparatus","Separation of 
Sister Chromatids","Sialic acid metabolism"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Scutellarein,529-53-3,529533,6-Hydroxyapigenin,6Hydroxyapigenin,"5,6,7,4'-Tetrahydroxyflavone","5,6,7,4'Tetrahydroxyflavone","4',5,6,7-tetrahydroxyflavone","4',5,6,7tetrahydroxyflavone",SCUTELLARTLN,
"5,6,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one","5,6,7trihydroxy2(4hydroxyphenyl)4Hchromen4one","5,6,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one","5,6,7trihydroxy2(4hydroxyphenyl)chromen4one
",UNII-P460GTI853,UNIIP460GTI853,5,T3319}

> <pdid>
PD052626

> <targets>
{Src}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{5281697}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
   -0.2290   -5.5067    0.0000 C   0  0
   -0.6913   -4.0797    0.0000 C   0  0
   -2.1584   -3.7671    0.0000 C   0  0
   -1.6957   -5.1937    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 N   0  0
    2.4133   -1.7530    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    4.9619   -2.4739    0.0000 C   0  0
    6.4015   -2.0524    0.0000 C   0  0
    6.7561   -0.5949    0.0000 C   0  0
    8.1957   -0.1733    0.0000 Cl  0  0
    5.6713    0.4410    0.0000 C   0  0
    4.2318    0.0194    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
  7 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21  5  1  0
 21 15  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13914

> <plate>
PLATE 003

> <well>
F4

> <supplier_cmpd_name>
PP2

> <ctcr_id>
4439

> <supplier_cmpd_id>
T6266

> <smiles>
CC(C)(C)n1nc(c2ccc(Cl)cc2)c3c(N)ncnc13

> <pd_targets>
{RPL19A,SRC,APE1,LCK,EPHB2,FYN,SMN1,MAP2K2,TNK2,SIK2,ACVR1,HCK,RIPK2,CSK,ABL1,MAPK14,MAPK9,CYP2C19,CLK4,MELK,MAP2K1,PDGFRA,CSNK1D,PRKACA,MAPK8,CSNK1A1,BTK,CDK8,EGFR,CYP2C9,CYP1A2,CDK5,MAPK10,KDR,PDGFR
B,DAPK3}

> <pathway_gtopdb>
{"Unclassified protein",Enzyme,"Epigenetic regulator",Kinase,Protease,Reader,"Cytochrome P450","Protein Kinase","Metallo protease","Methyl-lysine/arginine binding protein","Cytochrome P450 family 2","
Cytochrome P450 family 1","TK protein kinase group","Metallo protease MH clan","Tudor domain","STE protein kinase group","CAMK protein kinase group","TKL protein kinase group","CMGC protein kinase gro
up","Cytochrome P450 family 2C","CK1 protein kinase group","AGC protein kinase group","Cytochrome P450 family 1A","Tyrosine protein kinase Src family","Metallo protease M18 family","Tyrosine protein k
inase Eph family","STE protein kinase STE7 family","Tyrosine protein kinase Ack family","CAMK protein kinase CAMK1 family","TKL protein kinase STKR family","TKL protein kinase RIPK family","Tyrosine p
rotein kinase Csk family","Tyrosine protein kinase Abl family","CMGC protein kinase MAPK family","Cytochrome P450 2C19","CMGC protein kinase CLK family","Tyrosine protein kinase PDGFR family","CK1 pro
tein kinase CK1 family","AGC protein kinase PKA family","Tyrosine protein kinase Tec family","CMGC protein kinase CDK family","Tyrosine protein kinase EGFR family","Cytochrome P450 2C9","Cytochrome P4
50 1A1","Tyrosine protein kinase VEGFR family","CAMK protein kinase DAPK family","Tyrosine protein kinase SrcA","CAMK protein kinase QIK subfamily","TKL protein kinase STKR1","CMGC protein kinase p38 
subfamily","CMGC protein kinase JNK subfamily","CAMK protein kinase MELK subfamily","CMGC protein kinase CDK8 subfamily","CMGC protein kinase CDK5 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CAMK: Calcium/calmodulin-depe
ndent protein kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP2 family: drug metabolising subset","CK1: Casein kinase 1","AGC: Containing PKA",PKG,"PKC families","CYP1 family","TK: Tyrosi
ne kinase","STE7 family","CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","Mitogen-activated protein kinases (MAP kinases)","CLK family","Casein kinase 1 (CK1) family","Protein kinase A (PKA) fa
mily","Cyclin-dependent kinase (CDK) family","Death-associated kinase (DAPK) family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","QIK subfamily","Receptor serine/threoni
ne kinase (RSTK) family","Receptor interacting protein kinase (RIPK) family","p38 subfamily","JNK subfamily","MELK subfamily","CDK8 subfamily","CDK5 subfamily","Src family","Type XIII RTKs: Ephrin rec
eptor family","Ack family","Type I receptor serine/threonine kinases","Csk family","Abl family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Tec family","Type I RTKs: ErbB (epidermal growth
 factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Developmental Biology","Metabolism of RNA","Immune System",Metabolism,"Cell Cycle","Gene expression (Transcription)","Programmed Cell Death","Signaling by Receptor Tyro
sine Kinases","Infectious disease","Nervous system development","Metabolism of non-coding RNA","Innate Immune System","Diseases of signal transduction by growth factor receptors and second messengers"
,"Biological oxidations",Mitotic,"Signaling by GPCR","RNA Polymerase II Transcription","Intracellular signaling by second messengers",Apoptosis,"Signaling by NTRKs","HIV Infection","Axon guidance","sn
RNP Assembly","Toll-like Receptor Cascades","Oncogenic MAPK signaling","Leishmania infection","Phase I - Functionalization of compounds","Signaling by PDGFR in disease","Mitotic G2-G2/M phases","Signa
ling by WNT in cancer","Signaling by NOTCH1 in Cancer","GPCR downstream signalling","Generic Transcription Pathway","Signaling by VEGF","PIP3 activates AKT signaling","Caspase activation via extrinsic
 apoptotic signalling pathway","Signaling by NTRK1 (TRKA)","Host Interactions of HIV factors","EPH-Ephrin signaling","Toll Like Receptor 5 (TLR5) Cascade","Signaling by RAS mutants","Parasite infectio
n","Cytochrome P450 - arranged by substrate type","Drug resistance of PDGFR mutants","G2/M Transition","Signaling by AMER1 mutants","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","G alpha (q) 
signalling events","Transcriptional Regulation by TP53","VEGFA-VEGFR2 Pathway","Negative regulation of the PI3K/AKT network","Caspase activation via Dependence Receptors in the absence of ligand","Sig
nalling to ERKs","The role of Nef in HIV-1 replication and disease pathogenesis","EPHB-mediated forward signaling","MyD88 cascade initiated on plasma membrane","Signaling downstream of RAS mutants","L
eishmania phagocytosis",Xenobiotics,"Imatinib-resistant PDGFR mutants","Centrosome maturation","Truncations of AMER1 destabilize the destruction complex","Constitutive Signaling by NOTCH1 HD+PEST Doma
in Mutants","Gastrin-CREB signalling pathway via PKC and MAPK","Regulation of TP53 Activity","VEGFR2 mediated cell proliferation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Signalling to RAS","
Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Nef and signal transduction","Prolonged ERK activation events","MAP kinase activation","FCGR3A-mediated
 phagocytosis","CYP2E1 reactions","Loss of proteins required for interphase microtubule organization from the centrosome","EGFR Transactivation by Gastrin","Aromatic amines can be N-hydroxylated or N-
dealkylated by CYP1A2","Regulation of TP53 Activity through Phosphorylation","p38MAPK events","Nef Mediated CD4 Down-regulation","Frs2-mediated activation","activated TAK1 mediates p38 MAPK activation
","MAPK targets/ Nuclear events mediated by MAP kinases","Loss of Nlp from mitotic centrosomes","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{ABL1,LCK,RIPK2,SRC}

> <broad_moa>
{"SRC inhibitor"}

> <synonyms>
{172889-27-9,172889279,pp2,"PP 2","1-(tert-butyl)-3-(4-chlorophenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine","1(tertbutyl)3(4chlorophenyl)1Hpyrazolo(3,4d)pyrimidin4amine","AG 1879","1-tert-butyl-3-(4-chl
orophenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine","1tertbutyl3(4chlorophenyl)1Hpyrazolo(3,4d)pyrimidin4amine","1-tert-butyl-3-(4-chlorophenyl)pyrazolo(3,4-d)pyrimidin-4-amine","1tertbutyl3(4chlorophenyl
)pyrazolo(3,4d)pyrimidin4amine","AGL 1879",T6266,EI-297,1407,S7008,PP2}

> <pdid>
PD010654

> <targets>
{Src,"Src family"}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{4878}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 40 41  0  0  1  0            999 V2000
    2.8240    4.8530    0.0000 C   0  0
    4.1217    4.1006    0.0000 O   0  0
    4.1200    2.6000    0.0000 C   0  0  2  0  0  0
    2.8100    1.8400    0.0000 C   0  0
    1.5100    2.6000    0.0000 C   0  0  2  0  0  0
    1.5125    4.1000    0.0000 C   0  0
    0.2000    1.8400    0.0000 C   0  0
   -1.0900    2.6000    0.0000 C   0  0
   -1.0900    4.1100    0.0000 C   0  0
    0.2067    4.8655    0.0000 O   0  0
    0.2017    6.3655    0.0000 C   0  0
   -2.4000    4.8600    0.0000 C   0  0
   -2.4025    6.3600    0.0000 O   0  0
   -3.7000    4.1100    0.0000 C   0  0
   -3.7000    2.6000    0.0000 C   0  0
   -5.0100    1.8400    0.0000 N   0  0
   -5.0100    0.3400    0.0000 C   0  0
   -6.3055   -0.4161    0.0000 O   0  0
   -3.7000   -0.4000    0.0000 C   0  0
   -3.2700   -2.0600    0.0000 C   0  0
   -1.0900   -1.9100    0.0000 C   0  0
    0.2000   -2.6700    0.0000 C   0  0
    0.1702   -4.1842    0.0000 C   0  0  1  0  0  0
    1.5117   -0.4094    0.0000 O   0  0
    0.2140    0.3430    0.0000 C   0  0
    2.8100   -2.6700    0.0000 C   0  0  2  0  0  0
    2.8021   -4.1706    0.0000 O   0  0
    1.4989   -4.9150    0.0000 C   0  0
    0.6354   -4.4107    0.0000 N   0  0
    1.4909   -6.4149    0.0000 O   0  0
    4.1200   -1.9100    0.0000 C   0  0
    4.1200   -0.4000    0.0000 C   0  0
    5.4200    0.3400    0.0000 C   0  0  1  0  0  0
    6.7167   -0.4140    0.0000 C   0  0
    5.4200    1.8400    0.0000 C   0  0  2  0  0  0
    6.7211    2.5865    0.0000 O   0  0
    5.4198   -2.6586    0.0000 C   0  0
   -2.9070    0.2092    0.0000 C   0  0
   -2.4000    1.8400    0.0000 C   0  0
   -2.4017    0.8400    0.0000 O   0  0
  1  2  1  0
  3  2  1  1
  3  4  1  0
  4  5  1  0
  5  6  1  1
  5  7  1  0
  7  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  1  0
  9 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  6
 24 25  1  0
 23 26  1  0
 26 27  1  1
 27 28  1  0
 28 29  1  0
 28 30  2  0
 26 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  6
 33 35  1  0
 35  3  1  0
 35 36  1  1
 31 37  1  0
 19 38  1  0
 15 39  1  0
 39  8  1  0
 39 40  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13915

> <plate>
PLATE 003

> <well>
F5

> <supplier_cmpd_name>
Geldanamycin

> <ctcr_id>
5825

> <supplier_cmpd_id>
T6343

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

> <pd_targets>
{HSP90AA1,HSP90AB1,HSP82,ALD,RORC,HSP90B1,TRAP1,ABL1,BCR}

> <pathway_gtopdb>
{"Other cytosolic protein","Unclassified protein",Enzyme,"Transcription factor","Other membrane protein","Nuclear receptor",Kinase,"Nuclear hormone receptor subfamily 1","Protein Kinase","Nuclear horm
one receptor subfamily 1 group F","Atypical protein kinase group","Nuclear hormone receptor subfamily 1 group F member 3","Atypical protein kinase BCR family"}

> <pathway_chembl>
{"Other protein targets",Receptors,"Heat shock proteins","Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Cell Cycle","Gene expression (Transcription)","Immune System",Metabolism,Mitotic,"RNA Polymerase II Transcription","Cytokine Signaling in Immune system","The citric acid (TCA) cycle and respiratory 
electron transport","Mitotic G2-G2/M phases","Generic Transcription Pathway","Signaling by Interleukins","Respiratory electron transport","ATP synthesis by chemiosmotic coupling","and heat production 
by uncoupling proteins.","G2/M Transition","Transcriptional regulation by RUNX3","Interleukin-4 and Interleukin-13 signaling","Centrosome maturation","The role of GTSE1 in G2/M progression after G2 ch
eckpoint","RUNX3 Regulates Immune Response and Cell Migration","Loss of proteins required for interphase microtubule organization from the centrosome","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
{HSP90AA1}

> <broad_moa>
{"HSP inhibitor"}

> <synonyms>
{geldanamycin,NSC122750,Geldanamicin,30562-34-6,"Antibiotic U 29135","Antibiotic (U-29,135)",AC-6794,CHEMBL182055,ZINC8234390,AKOS025402235,"NSC 122750"}

> <pdid>
PD006581

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5281885}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 24 27  0  0  1  0            999 V2000
    2.5800    0.0305    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -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
   -3.8971    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0  2  0  0  0
   -5.1962    1.5000    0.0000 C   0  0
   -6.4959    3.7503    0.0000 C   0  0
   -7.7962    3.0025    0.0000 C   0  0
   -9.0940    3.7545    0.0000 C   0  0
   -9.0917    5.2545    0.0000 C   0  0
   -7.7914    6.0025    0.0000 C   0  0
   -6.4936    5.2504    0.0000 C   0  0
  -10.3895    6.0066    0.0000 O   0  0
   -7.7986    1.5025    0.0000 O   0  0
    1.2638   -2.2496    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  5  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
 14 16  1  6
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 19 22  1  0
 17 23  1  0
  2 24  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13916

> <plate>
PLATE 003

> <well>
F6

> <supplier_cmpd_name>
Glabridin

> <ctcr_id>
12683

> <supplier_cmpd_id>
T3403

> <smiles>
CC1(C=Cc2c(O1)ccc1c2OC[C@H](C1)c1c(cc(cc1)O)O)C

> <pd_targets>
{TYR,CYP3A4,PTPN1}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase,"Cytochrome P450",Phosphatase,"Cytochrome P450 family 3","Protein Phosphatase","Cytochrome P450 family 3A","Tyrosine protein phosphatase","Cytochrome P450 3A4"}

> <pathway_chembl>
{Enzymes,"1.-.-.- Oxidoreductases","Cytochrome P450",Phosphatases,"CYP3 family","Protein tyrosine phosphatases non-receptor type (PTPN)"}

> <pathway_reactome>
{Metabolism,"Gene expression (Transcription)","Metabolism of amino acids and derivatives","Metabolism of lipids","RNA Polymerase II Transcription","Melanin biosynthesis","Biosynthesis of specialized p
roresolving mediators (SPMs)","Generic Transcription Pathway","Biosynthesis of DHA-derived SPMs","Transcriptional Regulation by MECP2","Biosynthesis of maresins","MECP2 regulates neuronal receptors an
d channels","Biosynthesis of maresin-like SPMs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Glabridin,59870-68-7,59870687,UNII-HOC5567T41,UNIIHOC5567T41,CHEBI:5369,HOC5567T41,MFCD03427694,"4-((3R)-8,8-DIMETHYL-2H,3H,4H,8H-PYRANO(2,3-F)CHROMEN-3-YL)BENZENE-1,3-DIOL","4((3R)8,8DIMETHYL2H,3H,4
H,8HPYRANO(2,3F)CHROMEN3YL)BENZENE1,3DIOL",GlaBioidin,glabridine;,MLS000697609,BIDD:ER0172,"Glabridin, analytical standard",SCHEMBL114869,T3403}

> <pdid>
PD041063

> <targets>
{"GABA Receptor",PPAR,"T1 tyrosinase","T3 tyrosinase"}

> <classes>
{Proteases/Proteasome}

> <pubchem_cids>
{124052}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 30 34  0  0  0  0            999 V2000
    5.1278   -8.9351    0.0000 C   0  0
    4.3823   -7.6335    0.0000 C   0  0
    4.9972   -6.2653    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    2.8911   -7.4715    0.0000 N   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
    3.8915   -3.7585    0.0000 C   0  0
    5.1932   -3.0130    0.0000 F   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2959    5.2508    0.0000 O   0  0
   -0.0049    5.9994    0.0000 C   0  0
   -0.0080    7.5002    0.0000 C   0  0
    1.3768    7.4363    0.0000 C   0  0
    0.6243    8.7339    0.0000 C   0  0
   -1.3084    8.2479    0.0000 N   0  0
    3.8994    3.7478    0.0000 O   0  0
    5.1973    2.9959    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  2  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  4  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 14  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 13  1  0
 17 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 25  1  0
 25 28  1  0
 16 29  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13917

> <plate>
PLATE 003

> <well>
F7

> <supplier_cmpd_name>
Anlotinib

> <ctcr_id>
11533

> <supplier_cmpd_id>
T3441

> <smiles>
Cc1cc2c([nH]1)ccc(c2F)Oc1c2cc(c(cc2ncc1)OCC1(CC1)N)OC

> <pd_targets>
{FLT4,FLT1,FGFR1,KDR}

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

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

> <pathway_reactome>
{"Signal Transduction",Disease,"Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by VEGF","Signaling by FGFR in dis
ease","VEGF ligand-receptor interactions","Signaling by FGFR1 in disease","VEGFA-VEGFR2 Pathway","VEGF binds to VEGFR leading to receptor dimerization","FGFR1 mutant receptor activation","VEGFR2 media
ted cell proliferation","Signaling by activated point mutants of FGFR1"}

> <broad_targets>
{KDR,PDGFRB}

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

> <synonyms>
{4678B,Q27279141,Anlotinib,1058156-90-3,1058156903,"Anlotinib free base",AL3818,UNII-GKF8S4C432,UNIIGKF8S4C432,GKF8S4C432,"1058156-90-3 (free base)","1058156903 (free base)",AL-3818,catequentinib,GTPL
9601,SCHEMBL2063386,CHEMBL4303201,BCP24991,EX-A2427,EXA2427,ZINC117924202,"AL 3818",CS-5396,CS5396,DB11885,SB197,T4094,T3441,"Anlotinib Dihydrochloride"}

> <pdid>
PD056639

> <targets>
{VEGFR2,EGFR}

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

> <pubchem_cids>
{25017411}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 37 40  0  0  1  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 N   0  0
    0.0031    3.0008    0.0000 O   0  0
    1.3039    3.7494    0.0000 C   0  0  2  0  0  0
    2.6016    2.9971    0.0000 C   0  0
    1.3070    5.2502    0.0000 C   0  0
    2.6060    6.0003    0.0000 C   0  0
    2.6060    7.5003    0.0000 C   0  0
    1.3070    8.2503    0.0000 C   0  0
    0.0079    7.5003    0.0000 C   0  0
    0.0079    6.0003    0.0000 C   0  0
   -1.2911    5.2504    0.0000 Cl  0  0
    3.9051    8.2503    0.0000 F   0  0
    3.9050    5.2503    0.0000 Cl  0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    2.5951   -3.0039    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 C   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    7.7928   -6.0048    0.0000 C   0  0
    7.7953   -7.5048    0.0000 O   0  0
    9.0914   -5.2526    0.0000 N   0  0
   10.3931   -5.9981    0.0000 C   0  0
   11.6896   -5.2436    0.0000 C   0  0
   11.6844   -3.7436    0.0000 N   0  0
   10.3828   -2.9981    0.0000 C   0  0
    9.0864   -3.7526    0.0000 C   0  0
   12.9809   -2.9892    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
  3  8  1  0
  8  9  1  0
  9 10  1  1
  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
 13 18  1  0
 12 19  1  0
  1 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 26 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 31  1  0
 34 37  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13918

> <plate>
PLATE 003

> <well>
F8

> <supplier_cmpd_name>
Ensartinib

> <ctcr_id>
12625

> <supplier_cmpd_id>
T3550

> <smiles>
c1(cc(c(nn1)N)O[C@H](C)c1c(c(ccc1Cl)F)Cl)C(=O)Nc1ccc(cc1)C(=O)N1CCN(CC1)C

> <pd_targets>
{MET,ALK}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XIX RTKs: Leukocyte tyr
osine kinase (LTK) receptor family"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","Semaphorin interactions","Sema4D in semaphorin signaling","Sema4D mediated inhibition of cell attachment and migration"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{X-396,X396,1365267-27-1,1365267271,X-376,X376,UNII-7DR7JMB8BH,UNII7DR7JMB8BH,7DR7JMB8BH,CHEMBL2376648,GTPL8959,SCHEMBL15131466,BCP07190,EX-A2227,EXA2227,BDBM50432894,NSC800968,s6505,ZINC96258164,CS-6
077,CS6077,DB13104,NSC-800968,"Example 18 (WO2012048259)",HY-16590,HY16590,"X-376; X-396","X376; X396",Q27077191,T3550,Ensartinib}

> <pdid>
PD050064

> <targets>
{ALK,c-Met/HGFR}

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

> <pubchem_cids>
{56960447}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 55 60  0  0  1  0            999 V2000
    2.5901    3.0041    0.0000 C   0  0  1  0  0  0
    3.8892    3.7541    0.0000 C   0  0  1  0  0  0
    3.8893    5.2541    0.0000 C   0  0  2  0  0  0
    2.5903    6.0042    0.0000 C   0  0  1  0  0  0
    1.2912    5.2542    0.0000 C   0  0  2  0  0  0
    1.2911    3.7542    0.0000 O   0  0
   -0.0070    6.0073    0.0000 C   0  0
   -0.0048    7.5073    0.0000 O   0  0
    2.5903    7.5042    0.0000 O   0  0
    5.1883    6.0041    0.0000 O   0  0
    4.7552    3.2541    0.0000 O   0  0
    2.5931    1.5032    0.0000 O   0  0
    3.8939    0.7546    0.0000 C   0  0  1  0  0  0
    3.8990   -0.7455    0.0000 C   0  0  1  0  0  0
    5.2007   -1.4909    0.0000 O   0  0
    6.4972   -0.7364    0.0000 C   0  0  1  0  0  0
    6.4920    0.7636    0.0000 C   0  0  2  0  0  0
    5.1903    1.5091    0.0000 C   0  0  2  0  0  0
    5.1869    2.5091    0.0000 O   0  0
    7.7884    1.5181    0.0000 O   0  0
    7.7980   -1.4850    0.0000 C   0  0
    7.8010   -2.9850    0.0000 O   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -1.2990   -0.7500    0.0000 C   0  0  2  0  0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.3164   -2.2191    0.0000 C   0  0
    1.3163   -2.2193    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0  1  0  0  0
   -5.1962    1.5000    0.0000 C   0  0  2  0  0  0
   -6.6088    1.0136    0.0000 C   0  0
   -7.4983    2.2214    0.0000 C   0  0
   -6.6244    3.4406    0.0000 C   0  0  1  0  0  0
   -5.1962    3.0000    0.0000 C   0  0  1  0  0  0
   -3.8971    3.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0  2  0  0  0
   -3.8971    5.2500    0.0000 O   0  0
   -7.1015    4.8609    0.0000 C   0  0  2  0  0  0
   -6.1085    5.9852    0.0000 C   0  0
   -8.5723    5.1594    0.0000 C   0  0
   -9.0502    6.5821    0.0000 C   0  0
  -10.5211    6.8805    0.0000 C   0  0
  -10.9989    8.3032    0.0000 C   0  0
  -12.4690    8.6015    0.0000 C   0  0
  -10.0060    9.4275    0.0000 C   0  0
   -7.5784    6.2831    0.0000 O   0  0
   -5.2920    0.5046    0.0000 C   0  0
   -4.7631    0.2500    0.0000 C   0  0
   -1.2990    2.2500    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  5  7  1  6
  7  8  1  0
  4  9  1  1
  3 10  1  6
  2 11  1  1
  1 12  1  6
 13 12  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 18 19  1  1
 17 20  1  6
 16 21  1  1
 21 22  1  0
 14 23  1  1
 24 23  1  6
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 24  1  0
 29 30  1  0
 29 31  1  0
 28 32  1  6
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 38 37  1  6
 39 38  1  1
 39 35  1  0
 39 40  1  0
 40 41  1  0
 42 41  1  6
 42 27  1  0
 42 34  1  0
 40 43  1  6
 38 44  1  0
 44 45  1  1
 44 46  1  0
 46 47  1  0
 47 48  1  0
 48 49  2  3
 49 50  1  0
 49 51  1  0
 44 52  1  0
 35 53  1  1
 34 54  1  6
 27 55  1  6
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13919

> <plate>
PLATE 003

> <well>
F9

> <supplier_cmpd_name>
Ginsenoside Rg3

> <ctcr_id>
11535

> <supplier_cmpd_id>
T3402

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

> <pd_targets>
{KCNH2}

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

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

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

> <broad_targets>
{KCNH2}

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

> <synonyms>
{C20778,197G605,"Ginsenoside Rg3",14197-60-5,14197605,"(20S)-ginsenoside Rg3","(20S)ginsenoside Rg3",(20S)-Propanaxadiol,(20S)Propanaxadiol,20S-propanaxadiol,20Spropanaxadiol,"20(S)-Ginsenoside Rg3","
20(S)Ginsenoside Rg3",20(S)-Propanaxidiol,20(S)Propanaxidiol,UNII-227D367Y57,UNII227D367Y57,CHEMBL398412,CHEBI:67991,MFCD06410950,227D367Y57,20(S)-Ginsenoside-Rg3,20(S)GinsenosideRg3,T3402,T3812,20(R)
-Propanaxadiol}

> <pdid>
PD011952

> <targets>
{EGFR,Amyloid-²,COX,Endogenous Metabolite,NF-ºB,Potassium Channel,Sodium Channel}

> <classes>
{Angiogenesis,JAK/STAT signaling,Tyrosine Kinase/Adaptors,Immunology/Inflammation,Membrane Transporter/Ion Channel,Metabolic Enzyme/Protease,Neuronal Signaling,NF-ºB}

> <pubchem_cids>
{9918693}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 40 44  0  0  0  0            999 V2000
  -10.3879   -5.9453    0.0000 C   0  0
  -10.4003   -7.4453    0.0000 C   0  0
   -9.1074   -8.2073    0.0000 N   0  0
   -9.1177   -9.7073    0.0000 C   0  0
   -7.8238  -10.4662    0.0000 C   0  0
   -6.5196   -9.7252    0.0000 N   0  0
   -6.5093   -8.2252    0.0000 C   0  0
   -7.8032   -7.4663    0.0000 C   0  0
   -5.2235  -10.4819    0.0000 C   0  0
   -3.9196   -9.7386    0.0000 C   0  0
   -2.6232  -10.4931    0.0000 C   0  0
   -1.3216   -9.7476    0.0000 C   0  0
   -1.3163   -8.2475    0.0000 C   0  0
   -2.6129   -7.4931    0.0000 C   0  0
   -3.9145   -8.2387    0.0000 C   0  0
   -0.0155   -7.4989    0.0000 C   0  0
    1.2822   -8.2512    0.0000 O   0  0
   -0.0125   -5.9981    0.0000 N   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
    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
    5.1932   -3.0130    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
   -1.8032    3.1233    0.0000 C   0  0
   -2.5532    4.4223    0.0000 O   0  0
   -0.3115    2.9665    0.0000 C   0  0
   -2.6283  -11.9939    0.0000 C   0  0
   -3.9294  -12.7403    0.0000 F   0  0
   -1.3316  -12.7479    0.0000 F   0  0
   -2.6327  -13.4939    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  3  1  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 13 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 22 25  1  0
 21 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 30 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 29  1  0
 11 37  1  0
 37 38  1  0
 37 39  1  0
 37 40  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13920

> <plate>
PLATE 003

> <well>
F10

> <supplier_cmpd_name>
Ddr1-In-1

> <ctcr_id>
12127

> <supplier_cmpd_id>
T3337

> <smiles>
CCN1CCN(CC1)Cc1c(cc(cc1)C(=O)Nc1cc(c(cc1)C)Oc1cc2c(cc1)NC(=O)C2)C(F)(F)F

> <pd_targets>
{DDR1,DDR2}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type XVI RTKs: DDR (collagen receptor) family"}

> <pathway_reactome>
{"Extracellular matrix organization","Non-integrin membrane-ECM interactions"}

> <broad_targets>
{DDR1,DDR2}

> <broad_moa>
{"discoidin domain receptor inhibitor"}

> <synonyms>
{DR1IN,DDR1-IN-1,DDR1IN1,1449685-96-4,1449685964,DDR-IN-1,DDRIN1,GTPL9354,CHEMBL3421914,BDBM104009,"DDR1-IN 1; DDR1-IN1","DDR1IN 1; DDR1IN1",BCP10994,EX-A1313,EXA1313,s7498,ZINC96174842,CCG-270013,CCG
270013,SB19064,NCGC00378613-03,NCGC0037861303,HY-13979,HY13979,J3.552.499A,Q27459290,T3337,Ddr1-In-1}

> <pdid>
PD003241

> <targets>
{Others,DDR1,DDR2}

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

> <pubchem_cids>
{72836888}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.0114   -1.7530    0.0000 C   0  0
   -4.4013   -3.1233    0.0000 C   0  0
   -2.9095   -2.9665    0.0000 O   0  0
   -5.2818   -4.3363    0.0000 C   0  0
   -6.7736   -4.1795    0.0000 C   0  0
   -7.3837   -2.8092    0.0000 C   0  0
   -6.5020   -1.5957    0.0000 C   0  0
   -7.6553   -5.3931    0.0000 O   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 O   0  0
    2.5981    1.5000    0.0000 O   0  0
    5.1937   -3.0093    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 13  1  0
 17 20  1  0
 12 21  1  0
 21 22  2  0
 21 23  1  0
 23  8  1  0
  6 24  1  0
  2 25  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13921

> <plate>
PLATE 003

> <well>
F11

> <supplier_cmpd_name>
Psoralidin

> <ctcr_id>
12598

> <supplier_cmpd_id>
T3399

> <smiles>
CC(=CCc1c(cc2c(c1)c1c(c3c(o1)cc(cc3)O)c(=O)o2)O)C

> <pd_targets>
{ALOX5AP}

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

> <pathway_chembl>
{"Other protein targets","Anti-infective targets","Viral protein targets","Coronavirus (CoV) proteins"}

> <pathway_reactome>
{Disease,Metabolism,"Infectious disease","Metabolism of lipids","SARS-CoV Infections","Fatty acid metabolism","SARS-CoV-1 Infection","Arachidonic acid metabolism","SARS-CoV-1 Genome Replication and Tr
anscription","Synthesis of 5-eicosatetraenoic acids","Replication of the SARS-CoV-1 genome"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Psoralidin,18642-23-4,18642234,"3,9-Dihydroxy-2-prenylcoumestan","3,9Dihydroxy2prenylcoumestan",UNII-G16ZUQ069L,UNIIG16ZUQ069L,G16ZUQ069L,"3,9-dihydroxy-2-(3-methylbut-2-enyl)-(1)benzofuro(3,2-c)chro
men-6-one","3,9dihydroxy2(3methylbut2enyl)(1)benzofuro(3,2c)chromen6one","Psoralidin (5)",3,9-Dihydroxy-2-(3-methyl-2-butenyl)-6H-benzofuro(3,9Dihydroxy2(3methyl2butenyl)6Hbenzofuro(3,2-c)(1)benzopyra
n-6,2c)(1)benzopyran6,T3399}

> <pdid>
PD019002

> <targets>
{"Estrogen/progestogen Receptor",Akt,"Phosphatidylinositol 3-kinase",Bacterial,COX,Lipoxygenase,Notch,"Reactive Oxygen Species"}

> <classes>
{Cytoskeletal Signaling,Others,PI3K/Akt/mTOR signaling,Anti-infection,Immunology/Inflammation,Metabolic Enzyme/Protease,Neuronal Signaling,NF-ºB,Stem Cell/Wnt}

> <pubchem_cids>
{5281806}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 F   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 F   0  0
    3.8975   -2.2510    0.0000 F   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.5517    0.8722    0.0000 O   0  0
   -7.5554    1.9869    0.0000 C   0  0
   -6.8054    3.2859    0.0000 C   0  0
   -7.4120    4.6559    0.0000 C   0  0
   -6.5281    5.8688    0.0000 O   0  0
   -7.1357    7.2412    0.0000 C   0  0
   -6.2540    8.4547    0.0000 C   0  0
   -6.8641    9.8251    0.0000 C   0  0
   -8.3559    9.9819    0.0000 C   0  0
   -8.9691   11.3517    0.0000 C   0  0
  -10.4619   11.5065    0.0000 C   0  0
  -11.0751   12.8764    0.0000 C   0  0
  -12.5680   13.0312    0.0000 C   0  0
  -13.1812   14.4010    0.0000 N   0  0
  -14.6395   14.6930    0.0000 C   0  0
  -14.7962   16.1847    0.0000 C   0  0
  -13.4259   16.7948    0.0000 N   0  0
  -12.4222   15.6801    0.0000 N   0  0
   -9.2376    8.7684    0.0000 C   0  0
   -8.6275    7.3981    0.0000 C   0  0
   -5.3382    2.9741    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 25  1  0
 20 30  1  0
 30 31  2  0
 31 17  1  0
 14 32  1  0
 32 11  2  0
  8 33  1  0
 33 34  2  0
 34  5  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13922

> <plate>
PLATE 003

> <well>
G2

> <supplier_cmpd_name>
Mubritinib

> <ctcr_id>
7188

> <supplier_cmpd_id>
T6124

> <smiles>
FC(F)(F)c1ccc(\C=C\c2occ(COc3ccc(CCCCn4ccnn4)cc3)n2)cc1

> <pd_targets>
{ERBB2,EGFR}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction","Nervous system development","Signaling by GPCR","Axon guidance","GPCR downstream signalling","Semaphorin interactions","G alpha (q) signalling events","
Sema4D in semaphorin signaling","Gastrin-CREB signalling pathway via PKC and MAPK","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation by Gastrin"}

> <broad_targets>
{EGFR,ERBB2}

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

> <synonyms>
{Mubritinib,366017-09-6,366017096,"Mubritinib (TAK 165)","TAK 165",TAK-165,TAK165,UNII-V734AZP9BR,UNIIV734AZP9BR,V734AZP9BR,C25H23F3N4O2,"Mubritinib (USAN/INN)","Mubritinib (USAN:INN)","Mubritinib; TA
K-165","Mubritinib; TAK165","Mubritinib - TAK 165","Mubritinib  TAK 165",SCHEMBL94943,cc-594,cc594,MLS00601,T6124,SY-Mubritinib,S2216,"Mubritinib   (TAK-165)"}

> <pdid>
PD010822

> <targets>
{HER2,EGFR}

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

> <pubchem_cids>
{6444692}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    6.3990    0.0003    0.0000 Cl  0  5
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 N   0  3
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 C   0  0
   -5.1962    3.0000    0.0000 C   0  0
   -6.4952    3.7500    0.0000 C   0  0
   -7.7942    3.0000    0.0000 C   0  0
   -9.2200    3.4635    0.0000 O   0  0
  -10.1017    2.2499    0.0000 C   0  0
   -9.2200    1.0364    0.0000 O   0  0
   -7.7942    1.5000    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0031   -3.0008    0.0000 O   0  0
    1.3032   -3.7490    0.0000 C   0  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13  7  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 18  2  0
 22 23  1  0
 23 24  2  0
 24 12  1  0
 24 16  1  0
  8 25  2  0
 25  4  1  0
 25 26  1  0
 26 27  1  0
M  CHG  2   1  -1  10   1
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13923

> <plate>
PLATE 003

> <well>
G3

> <supplier_cmpd_name>
Chelerythrine chloride

> <ctcr_id>
551

> <supplier_cmpd_id>
T3419

> <smiles>
[Cl-].COc1ccc2c(c[n+](C)c3c2ccc4cc5OCOc5cc34)c1OC

> <pd_targets>
{PPARG,ACHE,RORC,FFP,CYP2C9,CYP1A2,P2RX7,CYP2C19,HIF1A,ALDH1A1,KMT2A,MEN1,CYP3A4,NFKB1,HSD17B10,MAPT,ALD,HPGD,MAOA,ATP2A1,PRKACA,PRKACB,PRKACG,PRKAR1A,PRKAR1B,PRKAR2A,PRKAR2B,TP53,BCL2L1,THRB,PRKCE,AL
OX15,LEF,TSHR,THPO,CHRM1,ALOX12,CYP2D6,PRKCA,BCHE,MAPK1,USP2,BLM,RAC1,BAD,LMNA,POLB,PMP22,GMNN,NPSR1,MTOR}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Ion channel","Epigenetic regulator","Other cytosolic protein",Transporter,"Membrane receptor","Unclassified protein","Other nuclear protein","Nuclear receptor",Hydrolas
e,Transferase,"Cytochrome P450","Ligand-gated ion channel",Oxidoreductase,Reader,"Primary active transporter","Other ion channel",Kinase,Protease,"Family A G protein-coupled receptor","Nuclear hormone
 receptor subfamily 1","Cytochrome P450 family 2","Cytochrome P450 family 1","P2X receptor",Bromodomain,"Cytochrome P450 family 3","P-type ATPase","Miscellaneous ion channel","Protein Kinase","Metallo
 protease","Peptide receptor (family A GPCR)","Small molecule receptor (family A GPCR)","Cysteine protease","Nuclear hormone receptor subfamily 1 group C","Nuclear hormone receptor subfamily 1 group F
","Cytochrome P450 family 2C","Cytochrome P450 family 1A","Cytochrome P450 family 3A","Calcium ATPase","Bcl-2 family","Nuclear hormone receptor subfamily 1 group A","AGC protein kinase group","Metallo
 protease MAE clan","Glycohormone receptor","Monoamine receptor","Cytochrome P450 family 2D","CMGC protein kinase group","Cysteine protease CA clan","Short peptide receptor (family A GPCR)","Atypical 
protein kinase group","Nuclear hormone receptor subfamily 1 group C member 3","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2C9","Cytochrome P450 1A1","Cytochrome P450 2C19"
,"Cytochrome P450 3A4","Nuclear hormone receptor subfamily 1 group A member 2","AGC protein kinase PKC family","Metallo protease M34 family","Acetylcholine receptor","Cytochrome P450 2D6","CMGC protei
n kinase MAPK family","Cysteine protease C19 family","Cysteine protease C1A family","Neuropeptide receptor","Atypical protein kinase PIKK family","AGC protein kinase PKC eta subfamily","AGC protein ki
nase PKC alpha subfamily","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels",Transporters,"Other protein targets","Nuclear hormone receptors","Acetylcholine turnover","Cytochrome P450","Ligand-gated ion channels","Eicosanoid turnover","Catecho
lamine turnover","P-type ATPases","Kinases (EC 2.7.x.x)","B-cell lymphoma 2 (Bcl-2) protein family","G protein-coupled receptors","Peptidases and proteinases","Chromatin modifying enzymes","1C. Peroxi
some proliferator-activated receptors","1F. Retinoic acid-related orphans","CYP2 family: drug metabolising subset","CYP1 family","P2X receptors","CYP3 family","Prostaglandin synthases","P2A P-type ATP
ases: Ca<sup>2+</sup>-ATPases","AGC: Containing PKA",PKG,"PKC families","1A. Thyroid hormone receptors",Lipoxygenases,"Glycoprotein hormone receptors","Acetylcholine receptors (muscarinic)","CMGC: Con
taining CDK",MAPK,GSK3,"CLK families","CA: Cysteine (C) Peptidases","2.1.1.43 Histone methyltransferases (HMTs)","Neuropeptide S receptor",Atypical,"Protein kinase A (PKA) family","Protein kinase C (P
KC) family","Mitogen-activated protein kinases (MAP kinases)","C19: Ubiquitin-specific protease","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Eta subfamily","Delta subfamily","ERK 
subfamily","FRAP subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)",Metabolism,Disease,"Cellular responses to external stimuli","Immune System","Neuronal System",Hemostasis,"Cell Cycle","Metabolism of proteins","Signal Transduction",
"DNA Repair","Developmental Biology","Programmed Cell Death","RNA Polymerase II Transcription","Metabolism of lipids","Biological oxidations","Infectious disease","Cellular responses to stress","Cytok
ine Signaling in Immune system","Metabolism of amino acids and derivatives","Transmission across Chemical Synapses","Platelet homeostasis","Cell Cycle Checkpoints","Diseases of signal transduction by 
growth factor receptors and second messengers","Post-translational protein modification","Innate Immune System","Platelet activation","signaling and aggregation","Signaling by GPCR","DNA Double-Strand
 Break Repair","Nervous system development",Apoptosis,Mitotic,"Base Excision Repair","Generic Transcription Pathway","Phospholipid metabolism","Phase I - Functionalization of compounds","Leishmania in
fection","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","Signaling by Interleukins","Branched-chain amino acid catabolism","Neurotransmitter receptors and p
ostsynaptic signal transmission","Platelet calcium homeostasis","G1/S DNA Damage Checkpoints","FLT3 signaling in disease",SUMOylation,"Fcgamma receptor (FCGR) dependent phagocytosis","Uptake and actio
ns of bacterial toxins","Platelet Aggregation (Plug Formation)","GPCR ligand binding","GPCR downstream signalling","Toll-like Receptor Cascades","Homology Directed Repair","Axon guidance","Intrinsic P
athway for Apoptosis","M Phase","Resolution of Abasic Sites (AP sites)","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Mitotic G1 phase and G1/S transition","Transcriptional Regulat
ion by MECP2","Glycerophospholipid biosynthesis","Transcriptional regulation by RUNX3","Cytochrome P450 - arranged by substrate type","Cell recruitment (pro-inflammatory response)","Oxygen-dependent p
roline hydroxylation of Hypoxia-inducible Factor Alpha","Ethanol oxidation","Biosynthesis of DHA-derived SPMs","Interleukin-1 family signaling","Activation of NMDA receptors and postsynaptic events","
Amine Oxidase reactions","Reduction of cytosolic Ca++ levels","p53-Dependent G1/S DNA damage checkpoint","Signaling by FLT3 ITD and TKD mutants","SUMO E3 ligases SUMOylate target proteins","Role of ph
ospholipids in phagocytosis","Biosynthesis of DPA-derived SPMs","Uptake and function of anthrax toxins","Leishmania parasite growth and survival","Class A/1 (Rhodopsin-like receptors)","G alpha (i) si
gnalling events","Toll Like Receptor 5 (TLR5) Cascade","Transcriptional Regulation by TP53","Transcriptional regulation by RUNX1","HDR through Homologous Recombination (HRR) or Single Strand Annealing
 (SSA)","Semaphorin interactions","Activation of BH3-only proteins","Mitotic Metaphase and Anaphase","Resolution of AP sites via the multiple-nucleotide patch replacement pathway","G1/S Transition","M
ECP2 regulates transcription factors","Synthesis of PC","RUNX3 Regulates Immune Response and Cell Migration",Xenobiotics,"Purinergic signaling in leishmaniasis infection","Biosynthesis of maresins","I
nterleukin-1 signaling","Post NMDA receptor activation events","Biosynthesis of D-series resolvins","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","p53-Dependent G1 DNA Dam
age Response","STAT5 activation downstream of FLT3 ITD mutants","SUMOylation of intracellular receptors","Biosynthesis of DPAn-3 SPMs","Anti-inflammatory response favouring Leishmania parasite infecti
on","Amine ligand-binding receptors","Visual phototransduction","MyD88 cascade initiated on plasma membrane","Regulation of TP53 Activity","RUNX1 regulates genes involved in megakaryocyte differentiat
ion and platelet function","HDR through Homologous Recombination (HRR)","Sema4D in semaphorin signaling","Activation of BAD and translocation to mitochondria","Mitotic Anaphase","PCNA-Dependent Long P
atch Base Excision Repair","Activation of the pre-replicative complex","CYP2E1 reactions","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Biosynthesis of maresin-like SPMs","MAP3K8
 (TPL2)-dependent MAPK1/3 activation","Activation of AMPK downstream of NMDARs","Stabilization of p53","Biosynthesis of DPAn-3-derived protectins and resolvins","ADORA2B mediated anti-inflammatory cyt
okines production","Muscarinic acetylcholine receptors","Biosynthesis of DPAn-3-derived maresins","The phototransduction cascade","MAP kinase activation","Regulation of TP53 Expression and Degradation
","Homologous DNA Pairing and Strand Exchange","Sema4D mediated inhibition of cell attachment and migration","Nuclear Envelope (NE) Reassembly","Autodegradation of the E3 ubiquitin ligase COP1",Inacti
vation,"recovery and regulation of the phototransduction cascade","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","Presynaptic phase of homologous DNA pairing a
nd strand exchange","Initiation of Nuclear Envelope (NE) Reformation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Chelerythrine hydrochloride","Chelerythrine chloride",3895-92-9,3895929,UNII-7IC98TZ0PZ,UNII7IC98TZ0PZ,"Chelerythrine (chloride)",7IC98TZ0PZ,CHEMBL258893,Chelerythrinechloride,1,2-dimethoxy-12-methy
l(1,2dimethoxy12methyl(1,3)benzodioxolo(5,6-c)phenanthridiniumchlorid,6c)phenanthridiniumchlorid,T3419,T6S0052,"EMD 220285",Chelerythrine,220285}

> <pdid>
PD038954

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

> <classes>
{Apoptosis,Autophagy,Epigenetics,TGF-beta/Smad}

> <pubchem_cids>
{72311}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 22 25  0  0  0  0            999 V2000
    7.5955    2.7333    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    4.2568    0.5878    0.0000 C   0  0
    5.7171    0.9385    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    4.2010   -3.2956    0.0000 N   0  0
    2.7343   -2.9815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12  8  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 16  1  0
 21 22  2  0
 22 13  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13924

> <plate>
PLATE 003

> <well>
G4

> <supplier_cmpd_name>
RepSox

> <ctcr_id>
5419

> <supplier_cmpd_id>
T6337

> <smiles>
Cc1cccc(n1)c2n[nH]cc2c3ccc4ncccc4n3

> <pd_targets>
{TGFBR1,ABL1}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","Receptor serine/threonine kinase (RSTK) family","Non-receptor tyrosine kinases (nRTKs)","Type I r
eceptor serine/threonine kinases","Abl family"}

> <pathway_reactome>
{Disease,"Diseases of signal transduction by growth factor receptors and second messengers","Infectious disease","Signaling by TGF-beta Receptor Complex in Cancer","Leishmania infection","Loss of Func
tion of SMAD2/3 in Cancer","Parasite infection","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Leishmania phagocytosis","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{TGFBR1}

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

> <synonyms>
{EX-A2879,EXA2879,Tox21_500541,Tox21500541,Tox21-500541,"Tox21 500541",ABP000974,BDBM50151347,RepSox,446859-33-2,446859332,"ALK5 Inhibitor II","2-(3-(6-Methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,5-naphthy
ridine","2(3(6Methylpyridin2yl)1Hpyrazol4yl)1,5naphthyridine","SJN 2511","ALK5 Inhibitor",E-616452,E616452,GW786460X,2-(5-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)-1,2(5(6methylpyridin2yl)1Hpyrazol4yl)1
,5-nap,5nap,S7223}

> <pdid>
PD003735

> <targets>
{TGF-beta/Smad}

> <classes>
{TGF-beta/Smad}

> <pubchem_cids>
{449054}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 35 39  0  0  1  0            999 V2000
    9.8089    4.5189    0.0000 C   0  0
    8.4855    3.8128    0.0000 C   0  0
    7.1614    3.1063    0.0000 C   0  0
    5.8372    2.3998    0.0000 C   0  0
    5.7875    0.9007    0.0000 O   0  0
    4.5650    3.1911    0.0000 N   0  0
    4.4475    4.6865    0.0000 C   0  0
    2.9890    5.0368    0.0000 C   0  0
    2.2051    3.7579    0.0000 C   0  0
    3.1884    2.6409    0.0000 C   0  0  1  0  0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 N   0  0
    2.7248   -1.2135    0.0000 C   0  0
    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
    0.0000   -3.0000    0.0000 N   0  0
    3.1884   -2.6409    0.0000 C   0  0
    4.6235   -3.0601    0.0000 C   0  0
    4.9782   -4.5176    0.0000 C   0  0
    3.8933   -5.5535    0.0000 C   0  0
    2.4538   -5.1320    0.0000 C   0  0
    2.0991   -3.6745    0.0000 C   0  0
    4.2452   -7.0125    0.0000 C   0  0
    5.6840   -7.4366    0.0000 O   0  0
    3.1583   -8.0475    0.0000 N   0  0
    3.5102   -9.5064    0.0000 C   0  0
    2.4254  -10.5424    0.0000 C   0  0
    2.7801  -11.9999    0.0000 C   0  0
    4.2196  -12.4215    0.0000 C   0  0
    5.3045  -11.3856    0.0000 C   0  0
    4.9498   -9.9281    0.0000 N   0  0
  1  2  1  0
  2  3  3  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10  6  1  0
 10 11  1  6
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 13 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 24 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13925

> <plate>
PLATE 003

> <well>
G5

> <supplier_cmpd_name>
Acalabrutinib

> <ctcr_id>
11339

> <supplier_cmpd_id>
T3626

> <smiles>
CC#CC(=O)N1CCC[C@H]1c1nc(c2n1ccnc2N)c1ccc(cc1)C(=O)Nc1ccccn1

> <pd_targets>
{FYN,TEC,JAK3,LYN,ERBB2,BMX,BTK,ITK,TXK,ERBB4,EGFR,SRC,LCK,BLK}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Src family","Tec family","Janus kinase (JakA) fami
ly","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{Disease,"Immune System","Developmental Biology",Metabolism,"Neuronal System","Signal Transduction","Gene expression (Transcription)","Infectious disease","Cytokine Signaling in Immune system","Nervou
s system development","Metabolism of lipids","Adaptive Immune System","Innate Immune System","Transmission across Chemical Synapses","Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","RNA P
olymerase II Transcription","HIV Infection","Signaling by Interleukins","Leishmania infection","Axon guidance","Phospholipid metabolism","TCR signaling","Fc epsilon receptor (FCERI) signaling","Neurot
ransmitter receptors and postsynaptic signal transmission","GPCR downstream signalling","Signaling by NTRKs","Generic Transcription Pathway","Host Interactions of HIV factors",Interleukin-3,"Interleuk
in-5 and GM-CSF signaling","Interleukin-2 family signaling","Leishmania parasite growth and survival","Semaphorin interactions","PI Metabolism","Parasite infection","Generation of second messenger mol
ecules","FCERI mediated Ca+2 mobilization","Activation of NMDA receptors and postsynaptic events","G alpha (q) signalling events","Signaling by NTRK1 (TRKA)","Transcriptional regulation by RUNX1","The
 role of Nef in HIV-1 replication and disease pathogenesis","Interleukin-15 signaling","Anti-inflammatory response favouring Leishmania parasite infection","Sema4D in semaphorin signaling","Synthesis 
of PIPs at the plasma membrane","Leishmania phagocytosis","Post NMDA receptor activation events","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","RUNX1 regulates transcription 
of genes involved in BCR signaling","Nef and signal transduction","FCGR3A-mediated IL10 synthesis","Sema4D induced cell migration and growth-cone collapse","FCGR3A-mediated phagocytosis","Long-term po
tentiation","EGFR Transactivation by Gastrin","Signalling to RAS","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","p38MAPK events","Nef Mediated CD4 Do
wn-regulation"}

> <broad_targets>
{BTK}

> <broad_moa>
{"Bruton's tyrosine kinase (BTK) inhibitor"}

> <synonyms>
{Acalabrutinib,1420477-60-6,1420477606,ACP-196,ACP196,Calquence,"Acalabrutinib (ACP-196)","Acalabrutinib (ACP196)",UNII-I42748ELQW,UNIII42748ELQW,I42748ELQW,Acalabrutinib(ACP196),"Acalabrutinib (INN)"
,"Acalabrutinib (USAN:INN)",acalabrutinibum,"Calquence (TN)",ACP-196;Acalabrutinib,ACP196;Acalabrutinib,GTPL8912,Acalabr,T3626}

> <pdid>
PD049821

> <targets>
{BTK}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{71226662}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13926

> <plate>
PLATE 003

> <well>
G6

> <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_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    6.4995   -3.7432    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    7.7985   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    3.8990   -0.7455    0.0000 N   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8994   -3.7478    0.0000 O   0  0
   -5.1981   -2.9955    0.0000 C   0  0
   -6.4997   -3.7409    0.0000 N   0  0
   -7.7962   -2.9865    0.0000 C   0  0
   -7.7910   -1.4865    0.0000 N   0  0
   -6.4894   -0.7410    0.0000 C   0  0
   -5.1929   -1.4954    0.0000 C   0  0
   -6.4811    0.7599    0.0000 C   0  0
   -5.1784    1.5035    0.0000 O   0  0
    9.0982   -0.7428    0.0000 C   0  0
   10.3977   -1.4919    0.0000 F   0  0
    9.0977    0.7572    0.0000 F   0  0
   10.3969    0.0079    0.0000 F   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 25 27  1  0
 27 28  1  0
  3 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13927

> <plate>
PLATE 003

> <well>
G7

> <supplier_cmpd_name>
BFH772

> <ctcr_id>
12252

> <supplier_cmpd_id>
T3599

> <smiles>
c1cc(cc(c1)NC(=O)c1cccc2c1ccc(c2)Oc1ncnc(c1)CO)C(F)(F)F

> <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>
{"VEGFR inhibitor"}

> <synonyms>
{BFH772,890128-81-1,890128811,BFH-772,BFH-722,BFH722,UNII-T1IV236CVP,UNIIT1IV236CVP,T1IV236CVP,CHEMBL4080062,"BFH 772",SCHEMBL987715,BCP18910,EX-A1157,EXA1157,BDBM50270425,MFCD30534392,s8188,ZINC11497
6148,CCG-269115,CCG269115,CS-6044,CS6044,AC-32955,AC32955,AK685741,BS-17877,BS17877,HY-100419,HY100419,A16342,Q27289542,T3599}

> <pdid>
PD053576

> <targets>
{VEGFR,VEGFR2}

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

> <pubchem_cids>
{24756034}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 40 43  0  0  0  0            999 V2000
   -3.9323   -9.7235    0.0000 C   0  0
   -2.6374  -10.4807    0.0000 O   0  0
   -1.3331   -9.7383    0.0000 C   0  0
   -1.3269   -8.2383    0.0000 C   0  0
   -0.0248   -7.4935    0.0000 C   0  0
   -0.0156   -5.9927    0.0000 N   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 N   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    5.1932   -3.0130    0.0000 F   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1781   -0.0305    0.0000 C   0  0
   -3.8619    2.2496    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.6011   -3.0008    0.0000 C   0  0
   -3.9020   -3.7494    0.0000 O   0  0
   -3.9050   -5.2502    0.0000 P   0  0
   -2.6073   -6.0025    0.0000 O   0  0
   -3.9074   -6.7502    0.0000 O   0  0
   -5.2051   -5.9984    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.2935   -3.7495    0.0000 N   0  0
    1.2712   -8.2490    0.0000 C   0  0
    1.2650   -9.7490    0.0000 C   0  0
    2.5632  -10.5020    0.0000 O   0  0
    3.8643   -9.7555    0.0000 C   0  0
   -0.0371  -10.4936    0.0000 C   0  0
   -0.0464  -11.9944    0.0000 O   0  0
   -1.3495  -12.7372    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 27 29  1  0
 27 30  2  0
 24 31  1  0
 31 17  1  0
 31 32  2  0
 32 14  1  0
 12 33  2  0
 33  7  1  0
  5 34  2  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 35 38  2  0
 38  3  1  0
 38 39  1  0
 39 40  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13928

> <plate>
PLATE 003

> <well>
G8

> <supplier_cmpd_name>
Fostamatinib

> <ctcr_id>
848

> <supplier_cmpd_id>
T6115

> <smiles>
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)N(CO[P](O)(O)=O)c4n3)n2)cc(OC)c1OC

> <pd_targets>
{SYK,KDR,ADORA3,VMAT2,FAAH,SLC29A1,UGT1A1,PDE5A,ALOX5,CTSS,CTSL,ABL1,CDPK1,PKNB,RPS6KA6,TYK2,COQ8A,JAK1,MET,NIM1K,STK26,PRKACA,STK24,STK3,TEC,STK33,STK35,STK36,STK38,STK38L,STK39,TAOK1,TAOK2,TAOK3,TBK
1,TEK,TESK1,TGFBR1,TGFBR2,TIE1,TLK1,TLK2,TNIK,TNK1,TNK2,TNNI3K,TSSK1B,TTK,TXK,TYRO3,ULK1,ULK2,ULK3,WEE1,YES1,MAP3K19,MAP3K20,ZAP70,AAK1,ABL2,ACVR1,ACVR1B,COQ8B,ALK,ANKK1,AURKA,AURKB,AURKC,AXL,BLK,BMP2
K,BMPR1B,BMPR2,BMX,BRAF,BTK,CAMK1,CAMK1D,CAMK1G,CAMK2A,CAMK2B,CAMK2D,CAMK2G,CAMKK1,CAMKK2,CASK,CSN3,CDK1,CDC42BPG,CDK4,CDKL1,CDKL2,CHEK1,CHEK2,CIT,CLK1,CLK2,CLK3,CLK4,CSF1R,CSK,CSNK1A1,CSNK2A1,CSNK2A2
,DAPK1,DAPK2,DAPK3,DCLK1,DCLK2,DCLK3,DDR1,DDR2,DYRK1A,DYRK1B,EGFR,EIF2AK1,EIF2AK2,EIF2AK4,EPHA1,EPHA2,EPHA3,EPHA4,EPHA5,EPHA6,EPHA7,EPHA8,EPHB1,EPHB2,EPHB4,EPHB6,ERBB2,ERBB4,ERN1,FER,FES,FGFR1,FGFR2,F
GFR3,FGR,FLT1,FLT3,FLT4,MTOR,FRK,FYN,GAK,GSK3A,GSK3B,HCK,HIPK2,HIPK3,CILK1,IKBKB,IKBKE,INSR,INSRR,IRAK1,IRAK3,IRAK4,ITK,JAK2,JAK3,SIK3,KIT,LATS1,LCK,LIMK1,LIMK2,LRRK2,LTK,LYN,MAP2K2,MAP2K3,MAP2K5,MAP2
K6,MAP3K1,MAP3K10,MAP3K11,MAP3K12,MAP3K13,MAP3K15,MAP3K2,MAP3K3,MAP3K4,MAP3K6,MAP3K9,MAP4K1,MAP4K2,MAP4K3,MAP4K4,MAP4K5,MAPK10,MAPK13,MAPK14,MAPK15,MAPK4,MAPK7,MAPK9,MAPKAPK5,MARK1,MARK2,MARK3,MARK4,C
LASP1,MAST1,MATK,MELK,MERTK,MINK1,MKNK1,MKNK2,MST1R,MUSK,MYLK,MYLK2,MYLK3,MYLK4,MYO3A,NEK1,NEK11,NEK2,NEK3,NEK4,NEK5,NEK9,NTRK1,NTRK2,NTRK3,NUAK1,NUAK2,OXSR1,PAK1,PAK2,PAK3,PAK4,PAK6,PAK5,CDK16,CDK17,
PDGFRA,PDGFRB,PDPK1,CDK15,PHKG1,PI4KB,PIK3C2B,PIK3C2G,PIK3CD,PIK3CG,PIM1,PIM3,PIP4K2B,PIP4K2C,PKMYT1,PKN1,PKN2,PLK1,PLK2,PLK3,PLK4,PRKAA1,PRKAA2,PRKAB1,PRKAB2,PRKAG1,PRKAG2,PRKAG3,PRKACB,PRKCD,PRKCE,P
RKCG,PRKCI,PRKCQ,PRKD1,PRKG2,PRPF4B,PTK2,PTK2B,PTK6,RAF1,RET,RIOK1,RIOK2,RIOK3,RIPK1,RIPK2,RIPK4,ROCK2,ROS1,RPS6KA1,RPS6KA3,SBK1,SBK3,SGK3,SIK1,SIK2,SLK,SNRK,SRC,SRMS,STK10,STK16,STK17A,STK17B,STK32A}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Transporter,"Secreted protein","Unclassified protein",Kinase,"Family A G protein-coupled receptor",Hydrolase,"Electrochemical transporter",Transferase,Phosphodiesterase,Oxi
doreductase,Protease,"Protein Kinase","Small molecule receptor (family A GPCR)","SLC superfamily of solute carriers","Phosphodiesterase 5","Cysteine protease","TK protein kinase group","Nucleotide-lik
e receptor (family A GPCR)","SLC28 and SLC29 families of nucleoside transporters","Phosphodiesterase 5A","Cysteine protease CA clan","AGC protein kinase group","Atypical protein kinase group","CAMK pr
otein kinase group","STE protein kinase group","Other protein kinase group","TKL protein kinase group","CMGC protein kinase group","CK1 protein kinase group","Tyrosine protein kinase Syk family","Tyro
sine protein kinase VEGFR family","Adenosine receptor","SLC29 Facilitative nucleoside transporter family","Cysteine protease C1A family","Tyrosine protein kinase Abl family","AGC protein kinase RSK fa
mily","Tyrosine protein kinase JakA family","Tyrosine protein kinase Met family","CAMK protein kinase CAMK1 family","STE protein kinase STE20 family","AGC protein kinase PKA family","Tyrosine protein 
kinase Tec family","CAMK protein kinase unique family","Other protein kinase NKF4 family","Other protein kinase ULK family","AGC protein kinase NDR family","Other protein kinase IKK family","Tyrosine 
protein kinase Tie family","TKL protein kinase LISK family","TKL protein kinase STKR family","Other protein kinase TLK family","Tyrosine protein kinase Ack family","TKL protein kinase MLK family","CAM
K protein kinase TSSK family","Other protein kinase TTK family","Tyrosine protein kinase Axl family","Other protein kinase WEE family","Tyrosine protein kinase Src family","STE protein kinase STE11 fa
mily","Other protein kinase NAK family","Atypical protein kinase ABC1 family","TKL protein kinase RIPK family","Other protein kinase AUR family","TKL protein kinase RAF family","CAMK protein kinase CA
MK2 family","Other protein kinase CAMKK family","CMGC protein kinase CDK family","AGC protein kinase DMPK family","CMGC protein kinase CDKL family","CAMK protein kinase RAD53 family","CMGC protein kin
ase CLK family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Csk family","CK1 protein kinase CK1 family","Other protein kinase CK2 family","CAMK protein kinase DAPK family","CAMK pr
otein kinase DCAMK1 family","Tyrosine protein kinase DDR family","CMGC protein kinase DYRK family","Tyrosine protein kinase EGFR family","Other protein kinase PEK family","Tyrosine protein kinase Eph 
family","Tyrosine protein kinase Fer family","Tyrosine protein kinase FGFR family","Atypical protein kinase PIKK family","CMGC protein kinase GSK family","CMGC protein kinase RCK family","Tyrosine pro
tein kinase InsR family","TKL protein kinase IRAK family","TKL protein kinase LRRK family","Tyrosine protein kinase Alk family","STE protein kinase STE7 family","CMGC protein kinase MAPK family","CAMK
 protein kinase MAPKAPK family","AGC protein kinase MAST family","Tyrosine protein kinase Musk family","CAMK protein kinase MLCK family","Other protein kinase NEK family","Tyrosine protein kinase Trk 
family","AGC protein kinase PDK1 subfamily","CAMK protein kinase PHk family","CAMK protein kinase PIM family","AGC protein kinase PKN family","Other protein kinase PLK family","AGC protein kinase PKC 
family","CAMK protein kinase PKD family","AGC protein kinase PKG family","Tyrosine protein kinase Fak family","Tyrosine protein kinase Ret family","Atypical protein kinase RIO family","Tyrosine protei
n kinase Sev family","Other protein kinase NKF1 family","AGC protein kinase SGK family","AGC protein kinase YANK family","AGC protein kinase RSK subfamily","CAMK protein kinase NIM1 subfamily","STE pr
otein kinase YSK subfamily","STE protein kinase MST subfamily","STE protein kinase FRAY subfamily","STE protein kinase TAO subfamily","TKL protein kinase TESK subfamily","TKL protein kinase STKR Type 
1 subfamily","TKL protein kinase STKR Type 2 subfamily","STE protein kinase MSN subfamily","TKL protein kinase HH498 subfamily","TKL protein kinase MLK subfamily","TKL protein kinase STKR1","Atypical 
protein kinase ABC1-A subfamily","Other protein kinase Meta subfamily","CMGC protein kinase CDC2 subfamily","AGC protein kinase GEK subfamily","CAMK protein kinase CHK1 subfamily","AGC protein kinase 
CRIK subfamily","CMGC protein kinase Dyrk1 subfamily","Other protein kinase HRI","Other protein kinase PKR","Other protein kinase GCN2 subfamily","Atypical protein kinase FRAP subfamily","Tyrosine pro
tein kinase SrcA","CMGC protein kinase HIPK subfamily","CMGC protein kinase MAK","CAMK protein kinase QIK subfamily","TKL protein kinase LIMK subfamily","TKL protein kinase LZK subfamily","STE protein
 kinase ASK","STE protein kinase MEKK2","STE protein kinase KHS subfamily","CMGC protein kinase JNK subfamily","CMGC protein kinase p38 subfamily","CMGC protein kinase ERK3","CMGC protein kinase ERK5"
,"CAMK protein kinase MAPKAPK subfamily","CAMK protein kinase MARK subfamily","CAMK protein kinase MELK subfamily","CAMK protein kinase MNK subfamily","STE protein kinase NinaC subfamily","Other prote
in kinase Nek11","Other protein kinase Nek1","CAMK protein kinase NuaK subfamily","STE protein kinase PAKA subfamily","STE protein kinase PAKB subfamily","CMGC protein kinase TAIRE subfamily","CMGC pr
otein kinase PCTAIRE","CMGC protein kinase PFTAIRE","Other protein kinase PLK2","CAMK protein kinase AMPK subfamily","AGC protein kinase PKC delta subfamily","AGC protein kinase PKC eta subfamily","AG
C protein kinase PKC alpha subfamily","AGC protein kinase PKC iota subfamily","Atypical protein kinase RIO1 subfamily","Atypical protein kinase RIO2 subfamily","Atypical protein kinase RIO3 subfamily"
,"AGC protein kinase ROCK subfamily","STE protein kinase SLK subfamily","Tyrosine protein kinase Srm"}

> <pathway_chembl>
{Receptors,Enzymes,Transporters,"Catalytic receptors","G protein-coupled receptors","Endocannabinoid turnover","SLC superfamily of solute carriers","UDP glucuronosyltransferases (UGT)","Cyclic nucleot
ide turnover/signalling","Eicosanoid turnover","Peptidases and proteinases","Kinases (EC 2.7.x.x)","Receptor kinases","Adenosine receptors","<i>N</i>-Acylethanolamine turnover","SLC28 and SLC29 famili
es of nucleoside transporters",Phosphodiesterases,3',"5'-cyclic nucleotide (PDEs)",Lipoxygenases,"CA: Cysteine (C) Peptidases","AGC: Containing PKA",PKG,"PKC families",Atypical,"CAMK: Calcium/calmodul
in-dependent protein kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CK1: Casein kinase 1","Lipid modifying kinases","TK:
 Tyrosine kinase","SLC29 family","C1: Papain","RSK family","ABC1 family","CAMK-like (CAMKL) family","STE20 family","Protein kinase A (PKA) family","CAMK-unique family","Other protein kinases","NDR fam
ily","TKL: Tyrosine kinase-like","Testis specific kinase (TSSK) family","CAMK1 family","CAMK2 family","CASK family","Cyclin-dependent kinase (CDK) family","DMPK family","Cyclin-dependent kinase-like (
CDKL) family","CLK family","Casein kinase 1 (CK1) family","Death-associated kinase (DAPK) family","DCAMKL family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Phosph
atidyl inositol 3' kinase-related kinases (PIKK) family","Glycogen synthase kinase (GSK) family","RCK family","STE7 family","STE11 family","Mitogen-activated protein kinases (MAP kinases)","MAPK-Activ
ated Protein Kinase (MAPKAPK) family","MAST family","Myosin Light Chain Kinase (MLCK) family","PDK1 family","Phosphorylase kinase (PHK) family","1-phosphatidylinositol 4-kinase family","Phosphatidylin
ositol-4-phosphate 3-kinase family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","PIM family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","Protein kinase N (P
KN) family","Protein kinase C (PKC) family","Protein kinase D (PKD) family","Protein kinase G (PKG) family","RIO family","SGK family","YANK family","Non-receptor tyrosine kinases (nRTKs)","Receptor ty
rosine kinases (RTKs)","RSK subfamily","ABC1-B subfamily","NIM1 subfamily","YSK subfamily","MST subfamily","NKF4 family","Unc-51-like kinase (ULK) family","FRAY subfamily","TAO subfamily","IKK family"
,"LIM domain kinase (LISK) family","Receptor serine/threonine kinase (RSTK) family","Tousled-like kinase (TLK) family","MSN subfamily","Mixed Lineage Kinase (MLK) family","TTK family","WEE family","ST
E20 subfamily","NAK family","Receptor interacting protein kinase (RIPK) family","Aurora kinase (Aur) family","Numb-associated kinase (NAK) family","RAF family","CAMKK family","CDK1 subfamily","GEK sub
family","CDK4 subfamily","CHK1 subfamily","Other DMPK family kinases","Casein kinase 2 (CK2) family","Dyrk1 subfamily","PEK family","IRE family","FRAP subfamily","GSK subfamily","HIPK subfamily","Inte
rleukin-1 receptor-associated kinase (IRAK) family","QIK subfamily","Leucine-rich repeat kinase (LRRK) family","KHS subfamily","JNK subfamily","p38 subfamily","Erk7 subfamily","ERK subfamily","MAPKAPK
 subfamily","MARK subfamily","MELK subfamily","MKN subfamily","NinaC subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","NuaK subfamily","PAKA subfamily","PAKB subfamily","TAIRE 
subfamily","Polo-like kinase (PLK) family","AMPK subfamily","Delta subfamily","Eta subfamily","Alpha subfamily","Iota subfamily","PRP4 subfamily","RIO1 subfamily","RIO2 subfamily","RIO3 subfamily","Rh
o kinase","NKF1 family","SLK subfamily","SNRK subfamily","Syk family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Abl family","Janus kinase (JakA) family","Type X RTKs: 
HGF (hepatocyte growth factor) receptor family","Tec family","Type XII RTKs: TIE family of angiopoietin receptors","TESK subfamily","Type I receptor serine/threonine kinases","Type II receptor serine/
threonine kinases","Ack family","HH498 subfamily","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Src family","MLK subfamily","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor f
amily","Meta subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Csk family","Type XVI RTKs: DDR (collagen receptor) family","Type I RTKs: ErbB (epidermal growth factor) receptor family
","Other PEK family kinases","GCN2 subfamily","Type XIII RTKs: Ephrin receptor family","Fer family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type II RTKs: Insulin receptor family
","LIMK subfamily","LZK subfamily","Type IX RTKs: MuSK","Type VII RTKs: Neurotrophin receptor/Trk family","Fak family","Type XIV RTKs: RET","Type XVII RTKs: ROS receptors"}

> <pathway_reactome>
{Disease,"Signal Transduction",Metabolism,"Transport of small molecules",Hemostasis,"Immune System","Neuronal System","Developmental Biology","Programmed Cell Death","Cell Cycle","Cell-Cell communicat
ion","Cellular responses to external stimuli",Autophagy,"Vesicle-mediated transport","Gene expression (Transcription)","DNA Repair","Extracellular matrix organization","Metabolism of proteins","Organe
lle biogenesis and maintenance","Metabolism of RNA","Circadian Clock","Infectious disease","Signaling by Receptor Tyrosine Kinases","Signaling by GPCR","Metabolism of lipids","SLC-mediated transmembra
ne transport","Diseases of metabolism","Platelet homeostasis","Adaptive Immune System","Transmission across Chemical Synapses","Cytokine Signaling in Immune system","Nervous system development",Apopto
sis,Mitotic,"Signaling by Hippo","Innate Immune System","MAPK family signaling cascades","Cell junction organization","Diseases of signal transduction by growth factor receptors and second messengers"
,"Cellular responses to stress",Macroautophagy,"Signaling by Hedgehog","Cell Cycle Checkpoints","Membrane Trafficking","Signaling by NODAL","RNA Polymerase II Transcription","Signaling by TGFB family 
members","Miscellaneous transport and binding events","DNA Double-Strand Break Repair","Signaling by Rho GTPases","Non-integrin membrane-ECM interactions","Unfolded Protein Response (UPR)","Intracellu
lar signaling by second messengers","Signaling by Non-Receptor Tyrosine Kinases","Cilium Assembly","Cell surface interactions at the vascular wall","ECM proteoglycans","Metabolism of carbohydrates","D
eath Receptor Signalling","rRNA processing","Ion channel transport","Leishmania infection","Signaling by VEGF","GPCR ligand binding","Fatty acid metabolism","Transport of vitamins",nucleosides,"and re
lated molecules","Metabolic disorders of biological oxidation enzymes","Nitric oxide stimulates guanylate cyclase","Biosynthesis of specialized proresolving mediators (SPMs)","Class I MHC mediated ant
igen processing & presentation","SARS-CoV Infections","Neurotransmitter receptors and postsynaptic signal transmission","Interferon Signaling","Axon guidance","Apoptotic execution phase","Mitotic G2-G
2/M phases","Signaling by Interleukins","M Phase","Toll-like Receptor Cascades","MAPK1/MAPK3 signaling","Cell-extracellular matrix interactions","Signaling by TGF-beta Receptor Complex in Cancer","Cel
lular Senescence","Fc epsilon receptor (FCERI) signaling","Selective autophagy","Hedgehog 'on' state","G2/M Checkpoints","TCR signaling","Clathrin-mediated endocytosis","Regulation of signaling by NOD
AL","Generic Transcription Pathway","Signaling by BMP","Phospholipid metabolism","Signaling by NTRKs","Regulation of mitotic cell cycle","Mitotic G1 phase and G1/S transition","Homology Directed Repai
r","RHO GTPase Effectors","Oncogenic MAPK signaling","Signaling by WNT in cancer","Caspase activation via extrinsic apoptotic signalling pathway","GPCR downstream signalling","Response of EIF2AK1 (HRI
) to heme deficiency","Influenza Infection","Response of EIF2AK4 (GCN2) to amino acid deficiency","IRE1alpha activates chaperones","Signaling by SCF-KIT","Signaling by FGFR in disease","Signaling by I
nsulin receptor","PIP3 activates AKT signaling","HIV Infection","trans-Golgi Network Vesicle Budding","Signaling by KIT in disease","Signaling by PTK6","MAPK6/MAPK4 signaling","Anchoring of the basal 
body to the plasma membrane","Signaling by ERBB2","Signaling by FGFR","Signaling by MST1","Signaling by PDGFR in disease","Glycogen metabolism","FLT3 signaling in disease","DAG and IP3 signaling","Fcg
amma receptor (FCGR) dependent phagocytosis","p75 NTR receptor-mediated signalling","Sphingolipid metabolism","rRNA processing in the nucleus and cytosol","Stimuli-sensing channels","Neutrophil degran
ulation","Leishmania parasite growth and survival","VEGFA-VEGFR2 Pathway","Class A/1 (Rhodopsin-like receptors)","Arachidonic acid metabolism","Transport of nucleosides and free purine and pyrimidine 
bases across the plasma membrane","Defective UGT1A1 causes hyperbilirubinemia","cGMP effects","Biosynthesis of DPA-derived SPMs","Antigen processing-Cross presentation","SARS-CoV-1 Infection","Parasit
e infection","Activation of NMDA receptors and postsynaptic events","Interferon alpha/beta signaling","Antiviral mechanism by IFN-stimulated genes","Semaphorin interactions","Apoptotic cleavage of cel
lular proteins","G2/M Transition",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Mitotic Metaphase and Anaphase","Toll Like Receptor 4 (TLR4) Cascade","RAF/MAP kinase cascade","Regulation of cyto
skeletal remodeling and cell spreading by IPP complex components","Loss of Function of SMAD2/3 in Cancer","Oxidative Stress Induced Senescence","FCERI mediated Ca+2 mobilization",Mitophagy,"G2/M DNA d
amage checkpoint","Generation of second messenger molecules","Cargo recognition for clathrin-mediated endocytosis","Signaling by ROBO receptors","Transcriptional Regulation by TP53","Transcriptional r
egulation by RUNX1","PI Metabolism","Signaling by NTRK1 (TRKA)","APC/C-mediated degradation of cell cycle proteins","G1 Phase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (S
SA)","RHO GTPases activate CIT","Transcriptional Regulation by VENTX","Signaling by RAS mutants","Signaling by AMER1 mutants","Caspase activation via Dependence Receptors in the absence of ligand","G0
 and Early G1","G alpha (q) signalling events","NS1 Mediated Effects on Host Pathways","EPH-Ephrin signaling","Signaling by FGFR1 in disease","Signaling by FGFR2 in disease","Signaling by FGFR3 in dis
ease","VEGF ligand-receptor interactions","Insulin receptor signalling cascade","PTEN Regulation","Host Interactions of HIV factors","Golgi Associated Vesicle Biogenesis","Negative regulation of the P
I3K/AKT network","Toll Like Receptor 5 (TLR5) Cascade","Toll Like Receptor 2 (TLR2) Cascade","Interleukin-2 family signaling","Drug resistance of KIT mutants","PTK6 promotes HIF1A stabilization","Inte
rleukin-1 family signaling","Downregulation of ERBB2 signaling","Signaling by FGFR4","RHO GTPases activate PAKs","Mitotic Prophase","Signaling by NTRK3 (TRKC)","Drug resistance of PDGFR mutants","Glyc
ogen breakdown (glycogenolysis)","Signaling by FLT3 ITD and TKD mutants","RHO GTPases activate PKNs","CaM pathway","Role of phospholipids in phagocytosis","Glutamate binding","activation of AMPA recep
tors and synaptic plasticity","p75NTR signals via NF-kB","G alpha (i) signalling events","Sphingolipid de novo biosynthesis","RET signaling","Major pathway of rRNA processing in the nucleolus and cyto
sol","PTK6 Down-Regulation","Anti-inflammatory response favouring Leishmania parasite infection","VEGFR2 mediated cell proliferation","Nucleotide-like (purinergic) receptors","Biosynthesis of DPAn-3 S
PMs","Endosomal/Vacuolar pathway","Attachment and Entry","Leishmania phagocytosis","Post NMDA receptor activation events","Regulation of IFNA signaling","ISG15 antiviral mechanism","Sema4D in semaphor
in signaling","Centrosome maturation","Mitotic Anaphase","MyD88-independent TLR4 cascade","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Receptor Mediated Mitophagy","Chk1/Chk2(Cds1) mediated inac
tivation of Cyclin B:Cdk1 complex","Role of ABL in ROBO-SLIT signaling","Regulation of TP53 Activity","RUNX1 regulates transcription of genes involved in BCR signaling","Synthesis of PIPs at the plasm
a membrane","Signalling to ERKs","Assembly and cell surface presentation of NMDA receptors","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Cyclin D associated events i
n G1","HDR through Homologous Recombination (HRR)","Signaling downstream of RAS mutants","Truncations of AMER1 destabilize the destruction complex","Gastrin-CREB signalling pathway via PKC and MAPK","
Inhibition of PKR","EPHA-mediated growth cone collapse","EPHB-mediated forward signaling","CRMPs in Sema3A signaling","FGFR1 mutant receptor activation","FGFR2 mutant receptor activation","Signaling b
y FGFR3 point mutants in cancer","VEGF binds to VEGFR leading to receptor dimerization","IRS-mediated signalling","Regulation of PTEN stability and activity","The role of Nef in HIV-1 replication and 
disease pathogenesis","SARS-CoV-1 Genome Replication and Transcription",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","MyD88 cascade initiated on plasma membrane","Toll Like Receptor TLR6:TLR2 Casc
ade","Interleukin-15 signaling","Dasatinib-resistant KIT mutants","Signalling to ERK5","Interleukin-1 signaling","Negative regulation of FGFR4 signaling","Nuclear Envelope Breakdown","Activation of TR
KA receptors","Activated NTRK3 signals through PI3K","Ephrin signaling","Activation of RAC1","Imatinib-resistant PDGFR mutants","Synthesis of PIPs at the Golgi membrane","Interleukin receptor SHC sign
aling","STAT5 activation downstream of FLT3 ITD mutants","Cyclin A/B1/B2 associated events during G2/M transition","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KL
K2 and KLK3","Calmodulin induced events","Trafficking of AMPA receptors","p75NTR recruits signalling complexes","Visual phototransduction","RAS processing","Interleukin-2 signaling","Negative regulati
on of MAPK pathway","FCGR3A-mediated IL10 synthesis","Adenosine P1 receptors","Biosynthesis of DPAn-3-derived 13-series resolvins","FCGR3A-mediated phagocytosis","CREB1 phosphorylation through NMDA re
ceptor-mediated activation of RAS signaling","Sema4D mediated inhibition of cell attachment and migration","Loss of proteins required for interphase microtubule organization from the centrosome","Sepa
ration of Sister Chromatids","TRIF(TICAM1)-mediated TLR4 signaling","Regulation of TP53 Activity through Phosphorylation","Prolonged ERK activation events","Activation of RAC1 downstream of NMDARs","A
ctivation of AMPK downstream of NMDARs","APC/C:Cdc20 mediated degradation of mitotic proteins","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Expression and Degradation","EGFR Transa
ctivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","Long-term potentiation","Signaling by activated point mutants of FGFR1","Activated point mutants of FGFR2","FGFR3 mutant
 receptor activation","PI3K Cascade","Nef and signal transduction","Replication of the SARS-CoV-1 genome","MAP kinase activation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Nef-mediates 
down modulation of cell surface receptors by recruiting them to clathrin adapters","Regulation of TP53 Activity through Acetylation","Signalling to RAS","Spry regulation of FGF signaling","Activation 
of NIMA Kinases NEK9",NEK6,NEK7,"NGF-independant TRKA activation","CD163 mediating an anti-inflammatory response","PKA-mediated phosphorylation of CREB","Trafficking of GluR2-containing AMPA receptors
","The phototransduction cascade","Negative feedback regulation of MAPK pathway","RSK activation","Loss of Nlp from mitotic centrosomes","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","ARMS-me
diated activation","Ras activation upon Ca2+ influx through NMDA receptor","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","Presynaptic phase 
of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","Signaling by activated point mutants of FGFR3","IKK complex recruitment mediated by RIP1","activated TAK1 mediates p38 
MAPK activation","Nef Mediated CD4 Down-regulation","Frs2-mediated activation","PI5P Regulates TP53 Acetylation","MAPK targets/ Nuclear events mediated by MAP kinases","p38MAPK events","PKA activation
",Inactivation,"recovery and regulation of the phototransduction cascade","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Activation of the AP-1 family of transcription factors","ERK/MAPK targ
ets","APC-Cdc20 mediated degradation of Nek2A","CREB phosphorylation","ERKs are inactivated"}

> <broad_targets>
{SYK}

> <broad_moa>
{"SYK inhibitor"}

> <synonyms>
{Fostamatinib,901119-35-5,901119355,"Fostamatinib (R788)",R788,Tavalisse,UNII-SQ8A3S5101,UNIISQ8A3S5101,Fostamatinib(R788),"R-788 Free acid","R788 Free acid","R 788","R788 FREE ACID","R-935788 Free ac
id","R935788 Free acid",R-788,"R935788 FREE ACID",SQ8A3S5101,R7935788,Fostamatinib/R788,"R788 compound",Fostama,T6115,S2625}

> <pdid>
PD010914

> <targets>
{Syk,FLT3}

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

> <pubchem_cids>
{11671467}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
   -8.9814   -2.9992    0.0000 C   0  0
   -7.5416   -3.4196    0.0000 O   0  0
   -7.1846   -4.8774    0.0000 C   0  0
   -8.2701   -5.9126    0.0000 C   0  0
   -7.9164   -7.3703    0.0000 C   0  0
   -9.0046   -8.4038    0.0000 N   0  0
   -8.6534   -9.8621    0.0000 C   0  0
  -10.4441   -7.9791    0.0000 C   0  0
  -11.5323   -9.0126    0.0000 C   0  0
  -12.9718   -8.5878    0.0000 N   0  0
  -14.0594   -9.6208    0.0000 C   0  0
  -13.3230   -7.1295    0.0000 C   0  0
   -6.4771   -7.7928    0.0000 C   0  0
   -6.1201   -9.2506    0.0000 N   0  0
   -4.6795   -9.6712    0.0000 C   0  0
   -3.5958   -8.6341    0.0000 O   0  0
   -4.3225  -11.1290    0.0000 C   0  0
   -2.8827  -11.5494    0.0000 C   0  0
   -5.3916   -6.7576    0.0000 C   0  0
   -5.7452   -5.2998    0.0000 C   0  0
   -4.6570   -4.2663    0.0000 N   0  0
   -3.2175   -4.6910    0.0000 C   0  0
   -2.8628   -6.1485    0.0000 N   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 N   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    3.8805   -1.4410    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
  5 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  2  0
 13 19  1  0
 19 20  2  0
 20  3  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
 26 28  1  0
 28 29  2  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 28  1  0
 37 32  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13929

> <plate>
PLATE 003

> <well>
G9

> <supplier_cmpd_name>
Osimertinib mesylate

> <ctcr_id>
8367

> <supplier_cmpd_id>
T3634

> <smiles>
COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc2nccc(n2)c3cn(C)c4ccccc34

> <pd_targets>
{EGFR,INSR,KCNH2,GSC2,CTSC,ERBB2,ERBB3,ERBB4,REP,ALK,EML4}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,"Voltage-gated ion channel",Transferase,Protease,"Protein Kinase","Potassium channels","Cysteine protease","TK protein kinase group","Voltage-gated potassium channel","Cys
teine protease CA clan","TKL protein kinase group","Tyrosine protein kinase EGFR family","Tyrosine protein kinase InsR family","Cysteine protease C1A family","TKL protein kinase STKR family","TKL prot
ein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Ion channels",Enzymes,"Other protein targets","Catalytic receptors","Voltage-gated ion channels","Peptidases and proteinases","Anti-infective targets","Receptor kinases","Potassium channel
s","CA: Cysteine (C) Peptidases","Viral protein targets","TK: Tyrosine kinase","Voltage-gated potassium channels","C1: Papain","Coronavirus (CoV) proteins","Receptor tyrosine kinases (RTKs)","Type I R
TKs: ErbB (epidermal growth factor) receptor family","Type II RTKs: Insulin receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Muscle contraction","Metabolism of proteins",Disease,"Signaling by GPCR","Intracellular signaling by second messengers","Cardiac conduction","Post-translational protein modific
ation","Infectious disease","GPCR downstream signalling","PIP3 activates AKT signaling","Phase 3 - rapid repolarisation","Asparagine N-linked glycosylation","SARS-CoV Infections","G alpha (q) signalli
ng events","Negative regulation of the PI3K/AKT network","Transport to the Golgi and subsequent modification","SARS-CoV-2 Infection","Gastrin-CREB signalling pathway via PKC and MAPK",PI5P,"PP2A and I
ER3 Regulate PI3K/AKT Signaling","ER to Golgi Anterograde Transport","SARS-CoV-2 Genome Replication and Transcription","EGFR Transactivation by Gastrin","Cargo concentration in the ER","Replication of
 the SARS-CoV-2 genome"}

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{AZD-9291,AZD9291,1421373-65-0,1421373650,Mereletinib,"AZD 9291",Tagrisso,UNII-3C06JJ0Z2O,UNII3C06JJ0Z2O,"Osimertinib free base",3C06JJ0Z2O,"1421373-65-0 (free base)","1421373650 (free base)","Merelet
inib (INN)","Osimertinib (USAN)",osimertinibum,Tube720,"Osimertinib; AZD 9291",Osimertinib;,T3634,T2490,779217,"Osimertinib mesylate",Osimertinib}

> <pdid>
PD009249

> <targets>
{EGFR}

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

> <pubchem_cids>
{71496458}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 41 46  0  0  0  0            999 V2000
    7.8985   12.9374    0.0000 C   0  0
    7.4375   11.5100    0.0000 N   0  0
    8.4432   10.3970    0.0000 C   0  0
    7.9821    8.9696    0.0000 C   0  0
    6.5154    8.6551    0.0000 N   0  0
    5.5098    9.7682    0.0000 C   0  0
    5.9708   11.1956    0.0000 C   0  0
    6.0519    7.2277    0.0000 C   0  0
    7.0558    6.1132    0.0000 C   0  0
    6.5925    4.6865    0.0000 C   0  0
    5.1253    4.3743    0.0000 C   0  0
    4.1214    5.4890    0.0000 C   0  0
    4.5847    6.9156    0.0000 C   0  0
    4.6588    2.9478    0.0000 C   0  0
    5.6608    1.8315    0.0000 O   0  0
    3.1904    2.6376    0.0000 N   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 N   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -5.1851   -3.0091    0.0000 F   0  0
   -7.7988    1.4819    0.0000 F   0  0
    7.5992    3.5734    0.0000 N   0  0
    9.0668    3.8879    0.0000 C   0  0
   10.0746    2.7769    0.0000 C   0  0
   11.5407    3.0941    0.0000 C   0  0
   11.9990    4.5223    0.0000 O   0  0
   10.9912    5.6334    0.0000 C   0  0
    9.5252    5.3162    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 17  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 31 33  1  0
 29 34  1  0
 10 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 36  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13930

> <plate>
PLATE 003

> <well>
G10

> <supplier_cmpd_name>
Entrectinib

> <ctcr_id>
11490

> <supplier_cmpd_id>
T3678

> <smiles>
CN1CCN(CC1)c1cc(c(cc1)C(=O)Nc1n[nH]c2c1cc(cc2)Cc1cc(cc(c1)F)F)NC1CCOCC1

> <pd_targets>
{SRC,KDR,AURKA,TNK2,MAP4K2,IGF1R,NTRK2,FGFR3,MST1R,PTK6,RET,ROS1,GRK5,PTK2,SLK,MAP4K5,JAK1,ALK,NTRK3,NTRK1,JAK3,CSF1R,AXL,STK3,FGFR1,PRKCG,HIPK2,BTK,FER,CLK4,FYN,TAOK1,MET,TBK1,LTK,KIT,LYN,BLK,PKN2,CD
K7,FLT1,JAK2,PRKAA1,RPS6KA3,LCK,AURKB,FLT3,DAPK3,CAMK1D,SYK,PLK4,INSR,ABL1,FLT4,MAP4K4,PRKCQ,FRK,CLK2,LRRK2,EML4}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Other protein kinase group","STE protein kinase group","AGC protein kinase group","TKL protein kinase group","CMGC protein kinase group","CAM
K protein kinase group","Tyrosine protein kinase Src family","Tyrosine protein kinase VEGFR family","Other protein kinase AUR family","Tyrosine protein kinase Ack family","STE protein kinase STE20 fam
ily","Tyrosine protein kinase InsR family","Tyrosine protein kinase Trk family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase Met family","Tyrosine protein kinase Ret family","Tyrosin
e protein kinase Sev family","AGC protein kinase GRK family","Tyrosine protein kinase Fak family","Tyrosine protein kinase JakA family","TKL protein kinase STKR family","Tyrosine protein kinase PDGFR 
family","Tyrosine protein kinase Axl family","AGC protein kinase PKC family","CMGC protein kinase DYRK family","Tyrosine protein kinase Tec family","Tyrosine protein kinase Fer family","CMGC protein k
inase CLK family","Other protein kinase IKK family","Tyrosine protein kinase Alk family","AGC protein kinase PKN family","CMGC protein kinase CDK family","CAMK protein kinase CAMK1 family","AGC protei
n kinase RSK family","CAMK protein kinase DAPK family","Tyrosine protein kinase Syk family","Other protein kinase PLK family","Tyrosine protein kinase Abl family","TKL protein kinase LRRK family","STE
 protein kinase KHS subfamily","AGC protein kinase GRK subfamily","STE protein kinase SLK subfamily","TKL protein kinase STKR Type 1 subfamily","STE protein kinase MST subfamily","AGC protein kinase P
KC alpha subfamily","CMGC protein kinase HIPK subfamily","Tyrosine protein kinase SrcA","STE protein kinase TAO subfamily","CMGC protein kinase CDK7 subfamily","CAMK protein kinase AMPK subfamily","AG
C protein kinase RSK subfamily","STE protein kinase MSN subfamily","AGC protein kinase PKC delta subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containing PKA",PKG,"PKC families","CMGC: 
Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","TK: Tyrosine kinase","Other protein kinases","STE20 family","G protein-coupled receptor kinases (GRKs)","
Protein kinase C (PKC) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","CLK family","Protein kinase N (PKN) family","Cyclin-dependent kinase (CDK) family","CAMK-
like (CAMKL) family","RSK family","Death-associated kinase (DAPK) family","CAMK1 family","TKL: Tyrosine kinase-like","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Aurora 
kinase (Aur) family","KHS subfamily","GRK4 subfamily","SLK subfamily","MST subfamily","Alpha subfamily","HIPK subfamily","TAO subfamily","IKK family","CDK7 subfamily","AMPK subfamily","RSK subfamily",
"Polo-like kinase (PLK) family","MSN subfamily","Delta subfamily","Leucine-rich repeat kinase (LRRK) family","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Ack
 family","Type II RTKs: Insulin receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type X RTKs: HGF (hepatocyte growth fa
ctor) receptor family","Type XIV RTKs: RET","Type XVII RTKs: ROS receptors","Fak family","Janus kinase (JakA) family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type III RTKs: P
DGFR",CSFR,Kit,"FLT3 receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Tec family","Fer family","Syk family","Abl family"}

> <pathway_reactome>
{"Signal Transduction","Gene expression (Transcription)",Disease,"Cell Cycle","Developmental Biology","Immune System","Neuronal System","Programmed Cell Death","Cellular responses to external stimuli"
,"Signaling by Receptor Tyrosine Kinases","RNA Polymerase II Transcription","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"Nervous system development","Sig
naling by GPCR","Infectious disease","Cytokine Signaling in Immune system","Signaling by Hippo","Transmission across Chemical Synapses","Innate Immune System","Signaling by Rho GTPases",Apoptosis,"Int
racellular signaling by second messengers","Cellular responses to stress","Signaling by Non-Receptor Tyrosine Kinases","Signaling by NTRKs","Signaling by VEGF","Generic Transcription Pathway","Signali
ng by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Signaling by FGFR in disease","Signaling by MST1","Mitotic G1 phase and G1/S transition","Axon guidance","GPCR downstream signalling","Leis
hmania infection","Interferon Signaling","Signaling by Interleukins","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by SCF-KIT","HIV Infection","M Phase","Toll-like Recep
tor Cascades","Signaling by KIT in disease","RHO GTPase Effectors","Signaling by Insulin receptor","Caspase activation via extrinsic apoptotic signalling pathway","Mitotic G2-G2/M phases","PIP3 activa
tes AKT signaling","Cellular Senescence","Signaling by PTK6","Signaling by NTRK1 (TRKA)","VEGFA-VEGFR2 Pathway","Transcriptional Regulation by TP53","IGF1R signaling cascade","Signaling by FGFR3 in di
sease","G1 Phase","RET signaling","G alpha (q) signalling events","Parasite infection","Antiviral mechanism by IFN-stimulated genes","Signaling by NTRK3 (TRKC)","Interleukin-2 family signaling","Trans
criptional Regulation by VENTX","Signaling by FGFR1 in disease","Glutamate binding","activation of AMPA receptors and synaptic plasticity","Host Interactions of HIV factors","Mitotic Metaphase and Ana
phase","Semaphorin interactions","Toll Like Receptor 4 (TLR4) Cascade","Drug resistance of KIT mutants","Leishmania parasite growth and survival","Transcriptional regulation by RUNX1","RHO GTPases act
ivate PKNs","HIV Life Cycle","VEGF ligand-receptor interactions","Toll Like Receptor 5 (TLR5) Cascade","Insulin receptor signalling cascade","Caspase activation via Dependence Receptors in the absence
 of ligand","G2/M Transition","Negative regulation of the PI3K/AKT network","Oxidative Stress Induced Senescence","G alpha (i) signalling events","PTEN Regulation","PTK6 promotes HIF1A stabilization",
"Signalling to ERKs","VEGFR2 mediated cell proliferation","Regulation of TP53 Activity","IRS-related events triggered by IGF1R","Activation of TRKA receptors","Signaling by FGFR3 point mutants in canc
er","Cyclin D associated events in G1","Leishmania phagocytosis","ISG15 antiviral mechanism","Activated NTRK3 signals through PI3K","Interleukin-15 signaling","FGFR1 mutant receptor activation","Traff
icking of AMPA receptors","The role of Nef in HIV-1 replication and disease pathogenesis","Mitotic Anaphase","Sema4D in semaphorin signaling","MyD88-independent TLR4 cascade","Dasatinib-resistant KIT 
mutants","Anti-inflammatory response favouring Leishmania parasite infection","RUNX1 regulates transcription of genes involved in BCR signaling","Late Phase of HIV Life Cycle","VEGF binds to VEGFR lea
ding to receptor dimerization","MyD88 cascade initiated on plasma membrane","IRS-mediated signalling","Centrosome maturation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Visual phototransduction
","Regulation of PTEN stability and activity","Signalling to RAS","Regulation of TP53 Activity through Phosphorylation","NGF-independant TRKA activation","FGFR3 mutant receptor activation","FCGR3A-med
iated phagocytosis","Prolonged ERK activation events","Signaling by activated point mutants of FGFR1","Trafficking of GluR2-containing AMPA receptors","Nef and signal transduction","Separation of Sist
er Chromatids","Sema4D mediated inhibition of cell attachment and migration","TRIF(TICAM1)-mediated TLR4 signaling","FCGR3A-mediated IL10 synthesis","Transcription of the HIV genome","MAP kinase activ
ation","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","PI3K Cascade","Loss of proteins required for interphase microtubule organization from the centr
osome","The phototransduction cascade","p38MAPK events","Signaling by activated point mutants of FGFR3","ARMS-mediated activation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","HIV Transcrip
tion Elongation","MAPK targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","Loss of Nlp from mitotic centrosomes",Inactivation,"recovery and regulation of the phototran
sduction cascade","Tat-mediated elongation of the HIV-1 transcript","CREB phosphorylation","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{1108743-60-7,1108743607,"1108743 60 7",NMS-E628,NMSE628,"NMS E628",RXDX-101,RXDX101,"RXDX 101","Entrectinib (RXDX-101)","Entrectinib (RXDX101)","Entrectinib (RXDX 101)",Rozlytrek,UNII-L5ORF0AN1I,UNII
L5ORF0AN1I,"UNII L5ORF0AN1I",L5ORF0AN1I,"Entrectinib (USAN:INN)","Rozlytrek (TN)",YMX,"Entrectinib, 95",Kinome_2659,Kinome2659,Kinome-2659,"Kinome 2659",Entrectinib(rxdx-101),Entrectinib(rxdx101),"Ent
rectinib(rxdx 101)","Entrectinib; NMS-E628","Entrectinib; NMSE628","Entrectinib; NMS E628","Entrectinib (JA",T3678,Entrectinib}

> <pdid>
PD012826

> <targets>
{"Trk receptor",ALK,ROS1,TrkA,TrkB,TrkC,Autophagy,ROS,"Trk Receptor"}

> <classes>
{Angiogenesis,Immunology/Inflammation,Tyrosine Kinase/Adaptors,Autophagy,Neuronal Signaling,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{25141092}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 32 35  0  0  1  0            999 V2000
    3.8934   -5.2570    0.0000 C   0  0  2  0  0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 N   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.6012   -3.0008    0.0000 N   0  0
   -3.9020   -3.7494    0.0000 C   0  0
   -3.9072   -5.2494    0.0000 C   0  0
   -5.2089   -5.9949    0.0000 C   0  0
   -6.5053   -5.2405    0.0000 C   0  0
   -6.5001   -3.7405    0.0000 C   0  0
   -5.1985   -2.9950    0.0000 C   0  0
   -5.2141   -7.4949    0.0000 Cl  0  0
   -2.6108   -6.0040    0.0000 F   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
    7.7905   -6.0071    0.0000 C   0  0
    2.5944   -6.0070    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 13  1  0
 16 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
 23 27  1  0
 22 28  1  0
 11 29  1  0
 29 30  1  0
  3 31  1  0
  1 32  1  1
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13931

> <plate>
PLATE 003

> <well>
G11

> <supplier_cmpd_name>
AZD3759

> <ctcr_id>
11537

> <supplier_cmpd_id>
T3659

> <smiles>
[C@H]1(CN(CCN1C(=O)Oc1c(cc2c(c1)c(ncn2)Nc1c(c(ccc1)Cl)F)OC)C)C

> <pd_targets>
{SRC,EGFR,ERBB2,ERBB3,ERBB4,KCNH2,KDR,DRD2}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Membrane receptor",Kinase,"Voltage-gated ion channel","Family A G protein-coupled receptor","Protein Kinase","Potassium channels","Small molecule receptor (family A GPCR)","TK p
rotein kinase group","Voltage-gated potassium channel","Monoamine receptor","Tyrosine protein kinase Src family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase VEGFR family","Dopamine 
receptor"}

> <pathway_chembl>
{Receptors,"Ion channels","Catalytic receptors","Voltage-gated ion channels","G protein-coupled receptors","Receptor kinases","Potassium channels","Dopamine receptors","TK: Tyrosine kinase","Voltage-g
ated potassium channels","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type I RTKs:
 ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Muscle contraction","Signaling by Receptor Tyrosine Kinases","Cardiac conduction","Signaling by GPCR","Signaling by NTRKs","Phase 3 - rapid repolarisation","Signaling by VEGF",
"GPCR ligand binding","GPCR downstream signalling","Signaling by NTRK1 (TRKA)","VEGFA-VEGFR2 Pathway","Class A/1 (Rhodopsin-like receptors)","G alpha (q) signalling events","Signalling to ERKs","VEGFR
2 mediated cell proliferation","Amine ligand-binding receptors","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to RAS","Dopamine receptors","EGFR Transactivation by Gastrin","p38MAPK e
vents"}

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{AZD3759,1626387-80-1,1626387801,AZD-3759,zorifertinib,"AZD 3759",UNII-67SX9H68W2,UNII67SX9H68W2,CHEMBL3623290,67SX9H68W2,SCHEMBL16010006,GTPL10456,EX-A720,EXA720,AMY10302,BDBM50123453,MFCD29058564,NS
C788121,NSC800978,s7971,AKOS027327321,ZINC221149242,CCG-269329,CCG269329,CS-5029,CS5029,DB14795,NS,T4249,T3659,"AZD3759 hydrochloride"}

> <pdid>
PD012284

> <targets>
{EGFR,"EGFR (exon 19Del)","EGFR (L858R)","EGFR (WT)"}

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

> <pubchem_cids>
{78209992}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 30 34  0  0  1  0            999 V2000
    2.6018   -5.9994    0.0000 C   0  0
    3.9008   -5.2492    0.0000 O   0  0
    3.9014   -3.7484    0.0000 C   0  0
    2.6012   -3.0004    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    3.8967   -0.7484    0.0000 C   0  0
    5.1969   -1.4963    0.0000 C   0  0
    6.4939   -0.7411    0.0000 O   0  0
    6.4894    0.7589    0.0000 C   0  0
    5.1993   -2.9963    0.0000 C   0  0
    6.4987   -3.7473    0.0000 O   0  0
    6.4990   -5.2473    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0  1  0  0  0
    1.2990    0.7500    0.0000 C   0  0  1  0  0  0
    0.0000    1.5000    0.0000 C   0  0  2  0  0  0
    0.3114    2.9665    0.0000 C   0  0
    1.8032    3.1233    0.0000 O   0  0
    2.4133    1.7530    0.0000 C   0  0
    3.8805    1.4410    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0  1  0  0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.7124   -4.0030    0.0000 O   0  0
   -3.1022   -5.3733    0.0000 C   0  0
   -1.6105   -5.2165    0.0000 O   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  7 10  2  0
 10  3  1  0
 10 11  1  0
 11 12  1  0
 13  5  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  1
 16 17  1  0
 17 18  1  0
 14 18  1  1
 18 19  2  0
 15 20  1  0
 20 21  1  6
 20 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 24  2  0
 28 29  1  0
 29 30  2  0
 30 13  1  0
 30 22  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13932

> <plate>
PLATE 003

> <well>
H2

> <supplier_cmpd_name>
Picropodophyllin

> <ctcr_id>
742

> <supplier_cmpd_id>
T6943

> <smiles>
COc1cc(cc(OC)c1OC)[C@H]2[C@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24

> <pd_targets>
{TUBB2B,TUBA1A,LMNA,HIF1A,CYP3A4,TUBA1B,TUBA1C,TUBA3C,TUBA3E,TUBA4A,TUBB,TUBB1,TUBB2A,TUBB3,TUBB4A,TUBB4B,TUBB6,TUBB8,E2,LEF,NR3C1,CYP2C19,NR0B1,CYP2C9,TUBB5,TOP2A,IGF1R,GMNN,NFO,NPSR1,MTOR}

> <pathway_gtopdb>
{"Structural protein","Other nuclear protein","Transcription factor",Enzyme,"Cytochrome P450",Protease,"Nuclear receptor",Isomerase,"Cytochrome P450 family 3","Metallo protease","Nuclear hormone recep
tor subfamily 3","Cytochrome P450 family 2","Nuclear hormone receptor subfamily 0","Cytochrome P450 family 3A","Metallo protease MAE clan","Nuclear hormone receptor subfamily 3 group C","Cytochrome P4
50 family 2C","Nuclear hormone receptor subfamily 0 group B","Cytochrome P450 3A4","Metallo protease M34 family","Nuclear hormone receptor subfamily 3 group C member 1","Cytochrome P450 2C19","Nuclear
 hormone receptor subfamily 0 group B member 1","Cytochrome P450 2C9",Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase InsR family","Unclassified protein","Membrane receptor"
,Hydrolase,"Family A G protein-coupled receptor","Peptide receptor (family A GPCR)","Short peptide receptor (family A GPCR)","Atypical protein kinase group","Neuropeptide receptor","Atypical protein k
inase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Cytochrome P450","Nuclear hormone receptors",Tubulins,"DNA topoisomerases","CYP3 family","Steroid hormone receptors","CYP2 family: drug metabolising subset"
,"0B. DAX-like receptors","3C. 3-Ketosteroid receptors","Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type II RTKs: Insulin receptor family","G pro
tein-coupled receptors","Kinases (EC 2.7.x.x)","Neuropeptide S receptor",Atypical,"Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","FRAP subfamily"}

> <pathway_reactome>
{"Cell Cycle","Cellular responses to external stimuli",Metabolism,Disease,"Gene expression (Transcription)",Mitotic,"Cellular responses to stress","Metabolism of lipids","Infectious disease","RNA Poly
merase II Transcription","Biological oxidations","M Phase","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","Uptake and actions of bacterial toxins","Generic 
Transcription Pathway","Mitotic G2-G2/M phases","Phase I - Functionalization of compounds","Mitotic G1 phase and G1/S transition","Mitotic Metaphase and Anaphase","Oxygen-dependent proline hydroxylati
on of Hypoxia-inducible Factor Alpha","Biosynthesis of DHA-derived SPMs","Uptake and function of anthrax toxins","FOXO-mediated transcription","G2/M Transition","Cytochrome P450 - arranged by substrat
e type","Nuclear Receptor transcription pathway","G0 and Early G1","Mitotic Anaphase","Biosynthesis of maresins","FOXO-mediated transcription of oxidative stress","metabolic and neuronal genes","Centr
osome maturation",Xenobiotics,"Transcription of E2F targets under negative control by DREAM complex","Nuclear Envelope (NE) Reassembly","Biosynthesis of maresin-like SPMs","Loss of proteins required f
or interphase microtubule organization from the centrosome","CYP2E1 reactions","Sealing of the nuclear envelope (NE) by ESCRT-III","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from m
itotic centrosomes","Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","IGF1R signaling cascade","IRS-related events tri
ggered by IGF1R","Leishmania infection","G1/S Transition","Leishmania parasite growth and survival","Transcriptional Regulation by TP53","Activation of the pre-replicative complex","Anti-inflammatory 
response favouring Leishmania parasite infection","Regulation of TP53 Activity","ADORA2B mediated anti-inflammatory cytokines production","Regulation of TP53 Expression and Degradation","Regulation of
 TP53 Degradation"}

> <broad_targets>
{IGF1R,TOP2A,TUBA4A,TUBB}

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

> <synonyms>
{Picropodophyllin,Picropodophyllotoxin,477-47-4,477474,AXL1717,"Picropodophyllin (PPP)",(-)PPP,()PPP,"IGF-1R Inhibitor, PPP","IGF1R Inhibitor, PPP",UNII-0F35AOI227,UNII0F35AOI227,"AXL1717 (Picropodoph
yllotoxin)",NSC36407,CHEBI:75251,0F35AOI227,AXL-1717,NSC-36407,"cyclolignan PPP",picro,T6943,T3S0027,T1121,1504410,Podophyllotoxin,PICROPODOPHYLLOTOXIN}

> <pdid>
PD000047

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

> <classes>
{antineoplastic,10% cytotoxicity of podophyllotoxin,Apoptosis,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{72435}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    2.5800    0.0305    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8971   -3.7500    0.0000 C   0  0
   -5.1961   -3.0000    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.6012    3.0008    0.0000 C   0  0
   -1.3035    3.7531    0.0000 O   0  0
   -3.9020    3.7494    0.0000 O   0  0
   -3.9051    5.2494    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
    1.2638   -2.2496    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 13 14  1  0
 14 15  2  0
 15  5  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 14 20  1  0
  2 21  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13933

> <plate>
PLATE 003

> <well>
H3

> <supplier_cmpd_name>
Mollugin

> <ctcr_id>
11538

> <supplier_cmpd_id>
T3673

> <smiles>
CC1(C=Cc2c(O1)c1ccccc1c(c2C(=O)OC)O)C

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Mollugin,Rubimaillin,55481-88-4,55481884,"Methyl 6-hydroxy-2,2-dimethyl-2H-benzo(h)chromene-5-carboxylate","Methyl 6hydroxy2,2dimethyl2Hbenzo(h)chromene5carboxylate","methyl 6-hydroxy-2,2-dimethylben
zo(h)chromene-5-carboxylate","methyl 6hydroxy2,2dimethylbenzo(h)chromene5carboxylate","CCRIS 6432",Rubimailin,"Mollugin,(S)",CHEMBL446008,SCHEMBL2115949,ZINC7267,T3673}

> <pdid>
PD056706

> <targets>
{HER2,JAK2}

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

> <pubchem_cids>
{124219}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
   10.0003   -1.0989    0.0000 C   0  0
    8.7088   -1.8618    0.0000 C   0  0
    7.4166   -2.6251    0.0000 C   0  0
    7.4315   -4.1250    0.0000 C   0  0
    6.1400   -4.8880    0.0000 C   0  0
    4.8336   -4.1509    0.0000 C   0  0
    4.8185   -2.6510    0.0000 C   0  0
    3.5128   -1.9110    0.0000 N   0  0
    3.5000   -0.4100    0.0000 C   0  0
    4.7900    0.3300    0.0000 N   0  0
    4.7900    1.8300    0.0000 C   0  0
    3.5000    2.5700    0.0000 N   0  0
    2.1900    1.8300    0.0000 C   0  0
    0.8900    2.5700    0.0000 C   0  0
   -0.3800    1.8300    0.0000 C   0  0
   -1.8300    2.2000    0.0000 O   0  0
   -2.1500    3.7200    0.0000 C   0  0
   -3.6500    3.7400    0.0000 C   0  0
   -3.8600    2.2500    0.0000 O   0  0
   -5.4200    1.8000    0.0000 C   0  0
   -5.4000    0.1900    0.0000 C   0  0
   -3.7500   -0.1100    0.0000 O   0  0
   -3.6400   -1.6200    0.0000 C   0  0
   -2.0200   -1.5900    0.0000 C   0  0
   -1.8000    0.0000    0.0000 O   0  0
   -0.3800    0.3300    0.0000 C   0  0
    0.8900   -0.4100    0.0000 C   0  0
    2.1900    0.3300    0.0000 C   0  0
    6.1101   -1.8881    0.0000 C   0  0
  1  2  3  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 15  2  0
 26 27  1  0
 27 28  2  0
 28  9  1  0
 28 13  1  0
  7 29  2  0
 29  3  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13934

> <plate>
PLATE 003

> <well>
H4

> <supplier_cmpd_name>
Icotinib

> <ctcr_id>
5539

> <supplier_cmpd_id>
T6153

> <smiles>
C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1

> <pd_targets>
{EGFR}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR downstream signalling","G alpha (q) signalling events","Gastrin-CREB signalling pathway via PKC and MAPK","EGFR Transactivation by Gastrin"}

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{Icotinib,610798-31-7,610798317,Conmana,BPI-2009,BPI2009,UNII-9G6U5L461Q,UNII9G6U5L461Q,CHEMBL2087361,9G6U5L461Q,Lcotinib,Icotinib(Lcotinib),"icotinib,BPI-2009H","icotinib,BPI2009H",GTPL7641,SCHEMBL58
43603,DTXSID20209952,EX-A306,EXA306,HMS3651F12,4-((3-ethynylphenyl)amino)-6,4((3ethynylphenyl)amino)6,7-benzo-12-crown-4-qui,7benzo12crown4qui,T6153,S2922}

> <pdid>
PD010514

> <targets>
{EGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{22024915}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
   -3.9323   -9.7235    0.0000 C   0  0
   -2.6374  -10.4807    0.0000 O   0  0
   -1.3331   -9.7383    0.0000 C   0  0
   -1.3269   -8.2383    0.0000 C   0  0
   -0.0248   -7.4935    0.0000 C   0  0
   -0.0156   -5.9927    0.0000 N   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 N   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    5.1932   -3.0130    0.0000 F   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1781   -0.0305    0.0000 C   0  0
   -3.8619    2.2496    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.2935   -3.7495    0.0000 N   0  0
    1.2712   -8.2490    0.0000 C   0  0
    1.2650   -9.7490    0.0000 C   0  0
    2.5632  -10.5020    0.0000 O   0  0
    3.8643   -9.7555    0.0000 C   0  0
   -0.0371  -10.4936    0.0000 C   0  0
   -0.0464  -11.9944    0.0000 O   0  0
   -1.3495  -12.7372    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 17  1  0
 25 26  2  0
 26 14  1  0
 12 27  2  0
 27  7  1  0
  5 28  2  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 29 32  2  0
 32  3  1  0
 32 33  1  0
 33 34  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13935

> <plate>
PLATE 003

> <well>
H5

> <supplier_cmpd_name>
R406

> <ctcr_id>
4240

> <supplier_cmpd_id>
T6174

> <smiles>
COc1cc(Nc2ncc(F)c(Nc3ccc4OC(C)(C)C(=O)Nc4n3)n2)cc(OC)c1OC

> <pd_targets>
{MARK3,PAK1,PDPK1,MAPK8,RAF1,ROS1,MAP2K4,TEC,TTK,PIP4K2B,CAMK1,ACVR1B,EPHA2,EPHA7,DYRK4,SYK,ROCK2,ABL1,EGFR,MUSK,PRKCD,MAPK12,PRKAA1,DDR2,JAK3,KIT,HIPK2,MAP2K2,MET,MYLK4,MAP4K1,CDK2,CSNK2A1,GSK3B,TLK1
,PIP5K1C,INSRR,TNIK,TAOK3,MKNK2,RET,PKNB,MAPK9,NEK11,AURKB,AAK1,FLT3,TYK2,JAK1,SLK,DAPK2,CDKL2,MAP4K3,EPHB1,EPHB6,MAPK14,PIK3CD,SRC,TIE1,DCLK3,STK35,RPS6KA5,DAPK1,PLK1,ROCK1,PTK6,MAP3K2,LIMK1,MAP3K11,
NEK2,STK16,MAPK13,RPS6KA1,DYRK2,PLK3,ALK,LRRK2,WEE2,PRKCG,MAPK1,MAPK3,MAP3K3,PRKACA,MAP2K1,PTK2B,EPHA5,ZAP70,AURKC,NTRK3,TNK2,PIP5K1A,DDR1,COQ8A,CAMK1G,COQ8B,MAP3K19,MARK1,LYN,MAP3K10,GRK1,NEK4,RPS6KB
1,TGFBR2,STK17B,BRAF,EIF2AK2,ULK1,ANKK1,SBK3,BTK,STK32A,ULK3,CAMK1D,RIOK1,NEK9,IGF1R,PIM3,PAK4,ERBB4,ACVR1,BMX,KDR,NEK1,TNNI3K,GSK3A,RIPK4,FGFR1,TSSK1B,MAP3K7,HIPK1,FYN,EPHA6,STK38,SRPK3,NEK6,IRAK4,PR
KG2,PRKAA2,NEK7,MAP3K9,PI4KB,MAP2K3,MAP2K6,WEE1,PTK2,GRK4,NEK5,CLK1,TEK,SBK1,CSNK2A2,IRAK1,STK33,RIOK2,TAOK1,MARK4,TLK2,NUAK2,FGFR3,EIF2AK4,CHEK1,CHUK,DAPK3,FLT1,FRK,PLK4,LATS2,SIK2,EPHA8,FGFR2,PIP4K2
C,MAPK15,CIT,EPHB2,TESK1,RIPK2,OXSR1,FER,YES1,DYRK1A,STK17A,JAK2,ABL2,CSF1R,LCK,ITK,PRKD3,MAP3K4,PDGFRA,LIMK2,HIPK3,NTRK2,NEK3,SRPK1,AURKA,EPHB4,CAMK2A,CAMK2G,LTK,CDK1,STK11,PAK5,PAK3,MAPK10,SIK1,HIPK
4,CAMK2D,HCK,CDK7,ERN1,BMP2K,PAK6,MKNK1,BLK,STK36,CLK4,EPHA1,TBK1,IKBKE,TAOK2,STK3,RIOK3,CLK3,EPHA3,PAK2,PDGFRB,STK10,PKN2,MYLK,MERTK,RPS6KA4,IKBKB,NUAK1,MARK2,GRK7,FLT4,INSR,MST1R,ULK2,RPS6KA3,GAK,PR
KACB,CLK2,CDKL1,NIM1K,MAP2K5,CDK17,AXL,FES,CDK5,PLK2,ERBB2,NTRK1,BMPR1B,IRAK3,TNK1,CSK,MAP4K2,EPHA4,PKN1,FGFR4,TYRO3,STK25,TXK,CDC7,PHKG2,PRKD2,FGR,SRMS,TGFBR1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,Transferase,"Protein Kinase","CAMK protein kinase group","STE protein kinase group","AGC protein kinase group","CMGC protein kinase group","TKL protein kinase gro
up","TK protein kinase group","Other protein kinase group","Atypical protein kinase group","CAMK protein kinase CAMK1 family","STE protein kinase STE20 family","AGC protein kinase PDK1 subfamily","CMG
C protein kinase MAPK family","TKL protein kinase RAF family","Tyrosine protein kinase Sev family","STE protein kinase STE7 family","Tyrosine protein kinase Tec family","Other protein kinase TTK famil
y","TKL protein kinase STKR family","Tyrosine protein kinase Eph family","CMGC protein kinase DYRK family","Tyrosine protein kinase Syk family","AGC protein kinase DMPK family","Tyrosine protein kinas
e Abl family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Musk family","AGC protein kinase PKC family","Tyrosine protein kinase DDR family","Tyrosine protein kinase JakA family","Ty
rosine protein kinase PDGFR family","Tyrosine protein kinase Met family","CAMK protein kinase MLCK family","CMGC protein kinase CDK family","Other protein kinase CK2 family","CMGC protein kinase GSK f
amily","Other protein kinase TLK family","Tyrosine protein kinase InsR family","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase Ret family","Other protein kinase NEK family","Other protei
n kinase AUR family","Other protein kinase NAK family","CAMK protein kinase DAPK family","CMGC protein kinase CDKL family","Tyrosine protein kinase Src family","Tyrosine protein kinase Tie family","CA
MK protein kinase DCAMK1 family","Other protein kinase NKF4 family","AGC protein kinase RSK family","Other protein kinase PLK family","STE protein kinase STE11 family","TKL protein kinase LISK family"
,"TKL protein kinase MLK family","TKL protein kinase LRRK family","Other protein kinase WEE family","AGC protein kinase PKA family","Tyrosine protein kinase Fak family","Tyrosine protein kinase Trk fa
mily","Tyrosine protein kinase Ack family","Atypical protein kinase ABC1 family","AGC protein kinase GRK family","Other protein kinase PEK family","Other protein kinase ULK family","TKL protein kinase
 RIPK family","Other protein kinase NKF1 family","AGC protein kinase YANK family","Atypical protein kinase RIO family","CAMK protein kinase PIM family","Tyrosine protein kinase VEGFR family","Tyrosine
 protein kinase FGFR family","CAMK protein kinase TSSK family","AGC protein kinase NDR family","CMGC protein kinase SRPK family","TKL protein kinase IRAK family","AGC protein kinase PKG family","CMGC 
protein kinase CLK family","CAMK protein kinase unique family","Other protein kinase IKK family","Tyrosine protein kinase Fer family","CAMK protein kinase PKD family","CAMK protein kinase CAMK2 family
","Tyrosine protein kinase Alk family","AGC protein kinase PKN family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Csk family","Other protein kinase CDC7 family","CAMK protein kinase
 PHk family","CAMK protein kinase MARK subfamily","STE protein kinase PAKA subfamily","CMGC protein kinase JNK subfamily","TKL protein kinase STKR Type 1 subfamily","AGC protein kinase ROCK subfamily"
,"AGC protein kinase PKC delta subfamily","CMGC protein kinase p38 subfamily","CAMK protein kinase AMPK subfamily","CMGC protein kinase HIPK subfamily","STE protein kinase KHS subfamily","CMGC protein
 kinase CDC2 subfamily","STE protein kinase MSN subfamily","STE protein kinase TAO subfamily","CAMK protein kinase MNK subfamily","Other protein kinase Nek11","STE protein kinase SLK subfamily","AGC p
rotein kinase MSK subfamily","STE protein kinase MEKK2","TKL protein kinase LIMK subfamily","TKL protein kinase MLK subfamily","AGC protein kinase RSK subfamily","CMGC protein kinase Dyrk2 subfamily",
"Other protein kinase WEE1","AGC protein kinase PKC alpha subfamily","CMGC protein kinase ERK1","Atypical protein kinase ABC1-A subfamily","AGC protein kinase GRK subfamily","AGC protein kinase p70 su
bfamily","TKL protein kinase STKR Type 2 subfamily","Other protein kinase PKR","Atypical protein kinase RIO1 subfamily","STE protein kinase PAKB subfamily","TKL protein kinase STKR1","TKL protein kina
se HH498 subfamily","TKL protein kinase TAK1 subfamily","Tyrosine protein kinase SrcA","Atypical protein kinase RIO2 subfamily","CAMK protein kinase NuaK subfamily","Other protein kinase GCN2 subfamil
y","CAMK protein kinase CHK1 subfamily","CAMK protein kinase QIK subfamily","AGC protein kinase CRIK subfamily","TKL protein kinase TESK subfamily","STE protein kinase FRAY subfamily","CMGC protein ki
nase Dyrk1 subfamily","Other protein kinase Nek1","CAMK protein kinase LKB subfamily","CMGC protein kinase CDK7 subfamily","STE protein kinase MST subfamily","Atypical protein kinase RIO3 subfamily","
CAMK protein kinase NIM1 subfamily","CMGC protein kinase PCTAIRE","CMGC protein kinase CDK5 subfamily","Other protein kinase PLK2","STE protein kinase YSK subfamily","Tyrosine protein kinase Srm"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","AGC: Containi
ng PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","Lipid modifying kinases",Atypical,"CAMK-like (CAMKL) family","STE20 family","PDK1 family","Mitogen-activa
ted protein kinases (MAP kinases)","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","STE7 family","Other protein kinases","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","C
AMK1 family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","DMPK family","Protein kinase C (PKC) family","Myosin Light Chain Kinase (MLCK) family","Cyclin-dependent ki
nase (CDK) family","Glycogen synthase kinase (GSK) family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","MAPK-Activated Protein Kinase (MAPKAPK) family","Death-associated 
kinase (DAPK) family","Cyclin-dependent kinase-like (CDKL) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","DCAMKL family","RSK family","STE11 family","Protein kinase A (PKA) family","
ABC1 family","G protein-coupled receptor kinases (GRKs)","YANK family","RIO family","PIM family","Testis specific kinase (TSSK) family","NDR family","SRPK family","Protein kinase G (PKG) family","1-ph
osphatidylinositol 4-kinase family","CLK family","CAMK-unique family","Protein kinase D (PKD) family","CAMK2 family","Protein kinase N (PKN) family","Phosphorylase kinase (PHK) family","MARK subfamily
","PAKA subfamily","JNK subfamily","RAF family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","TTK family","Receptor serine/threonine kinase (RSTK) family","Dyrk1 subfamil
y","Rho kinase","Delta subfamily","p38 subfamily","AMPK subfamily","HIPK subfamily","KHS subfamily","CDK1 subfamily","Casein kinase 2 (CK2) family","GSK subfamily","Tousled-like kinase (TLK) family","
MSN subfamily","TAO subfamily","MKN subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","Aurora kinase (Aur) family","NAK family","SLK subfamily","NKF4 family","MSK subfamily","Po
lo-like kinase (PLK) family","LIM domain kinase (LISK) family","Mixed Lineage Kinase (MLK) family","RSK subfamily","Dyrk2 subfamily","Leucine-rich repeat kinase (LRRK) family","WEE family","Alpha subf
amily","ABC1-B subfamily","STE20 subfamily","Opsin/rhodopsin kinases","p70 subfamily","PEK family","Unc-51-like kinase (ULK) family","Receptor interacting protein kinase (RIPK) family","NKF1 family","
RIO1 subfamily","PAKB subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","GRK4 subfamily","RIO2 subfamily","NuaK subfamily","CHK1 subfamily","IKK family","QIK subfamily","Erk7 subfami
ly","Other DMPK family kinases","FRAY subfamily","LKB subfamily","CDK7 subfamily","IRE family","Numb-associated kinase (NAK) family","MST subfamily","RIO3 subfamily","NIM1 subfamily","TAIRE subfamily"
,"CDK5 subfamily","YSK subfamily","CDC7 family","Type XVII RTKs: ROS receptors","Tec family","Type I receptor serine/threonine kinases","Type XIII RTKs: Ephrin receptor family","Syk family","Abl famil
y","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type IX RTKs: MuSK","Type XVI RTKs: DDR (collagen receptor) family","Janus kinase (JakA) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3
 receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type II RTKs: Insulin receptor family","Type XIV RTKs: RET","Src family","Type XII RTKs: TIE family of angiopoietin rec
eptors","LIMK subfamily","MLK subfamily","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Fak family","Type VII RTKs: Neurotrophin receptor/Trk family","Ack family","Type II receptor 
serine/threonine kinases","Other PEK family kinases","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","HH498 subfamily","Type V RTKs: FGF (fibroblast growth factor) receptor f
amily","TAK1 subfamily","GCN2 subfamily","TESK subfamily","Fer family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Csk family"}

> <pathway_reactome>
{Disease,"Developmental Biology","Gene expression (Transcription)","Immune System","Signal Transduction","Neuronal System","Extracellular matrix organization","Cellular responses to external stimuli",
"Cell Cycle","Vesicle-mediated transport","Programmed Cell Death",Metabolism,Autophagy,"Metabolism of RNA","Organelle biogenesis and maintenance","DNA Repair","Cell-Cell communication","Circadian Cloc
k","Metabolism of proteins",Hemostasis,"Diseases of signal transduction by growth factor receptors and second messengers","Nervous system development","RNA Polymerase II Transcription","Innate Immune 
System","MAPK family signaling cascades","Cytokine Signaling in Immune system","Transmission across Chemical Synapses","Signaling by NODAL","Infectious disease","Signaling by GPCR","ECM proteoglycans"
,"Intracellular signaling by second messengers","Signaling by Receptor Tyrosine Kinases","Non-integrin membrane-ECM interactions","Cellular responses to stress",Mitotic,"Membrane Trafficking",Apoptosi
s,"Signaling by Non-Receptor Tyrosine Kinases","Adaptive Immune System","Metabolism of lipids","MTOR signalling",Macroautophagy,"Signaling by Hedgehog","rRNA processing","Cell Cycle Checkpoints","Cili
um Assembly","DNA Double-Strand Break Repair","Signaling by Hippo","Signaling by Rho GTPases","Cell junction organization","Unfolded Protein Response (UPR)","Cell surface interactions at the vascular 
wall","Signaling by TGFB family members","Metabolism of carbohydrates","Oncogenic MAPK signaling","Axon guidance","Generic Transcription Pathway","Toll-like Receptor Cascades","MAPK1/MAPK3 signaling",
"Signaling by Interleukins","Neurotransmitter receptors and postsynaptic signal transmission","Regulation of signaling by NODAL","Leishmania infection","GPCR downstream signalling","DAG and IP3 signal
ing","Signaling by NTRKs","Signaling by KIT in disease","SARS-CoV Infections","Cellular Senescence","M Phase","Clathrin-mediated endocytosis","Signaling by Insulin receptor","Interferon Signaling","Ca
spase activation via extrinsic apoptotic signalling pathway","Mitotic G2-G2/M phases","Mitotic G1 phase and G1/S transition","Regulation of mitotic cell cycle","Signaling by PTK6","TCR signaling","Pho
spholipid metabolism","mTORC1-mediated signalling","Signaling by TGF-beta Receptor Complex in Cancer","Influenza Infection","Selective autophagy","Hedgehog 'on' state","rRNA processing in the nucleus 
and cytosol","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","Signaling by VEGF","Signaling by FGFR in disease","HIV Infection","G2/M Checkpoints","Anchoring of the basal body to t
he plasma membrane","Response of EIF2AK4 (GCN2) to amino acid deficiency","Homology Directed Repair","PIP3 activates AKT signaling","RHO GTPase Effectors","Cell-extracellular matrix interactions","Sig
naling by SCF-KIT","Sphingolipid metabolism","Signaling by PDGFR in disease","IRE1alpha activates chaperones","Signaling by FGFR","Neutrophil degranulation","Signaling by MST1","trans-Golgi Network Ve
sicle Budding","Signaling by BMP","Fc epsilon receptor (FCERI) signaling","Glycogen metabolism","Signaling by RAS mutants","EPH-Ephrin signaling","Transcriptional Regulation by TP53","Toll Like Recept
or 5 (TLR5) Cascade","RAF/MAP kinase cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","Activation of NMDA receptors and postsynaptic events","Leishmania parasite growth and survival","Semap
horin interactions","Parasite infection","G alpha (q) signalling events","CaM pathway","Signaling by NTRK1 (TRKA)","Interleukin-2 family signaling","Drug resistance of KIT mutants","SARS-CoV-1 Infecti
on","Oxidative Stress Induced Senescence","RET signaling","Mitotic Metaphase and Anaphase","Cargo recognition for clathrin-mediated endocytosis","Insulin receptor signalling cascade","Interferon alpha
/beta signaling","Antiviral mechanism by IFN-stimulated genes","Caspase activation via Dependence Receptors in the absence of ligand","G2/M Transition","G1 Phase","APC/C-mediated degradation of cell c
ycle proteins","PTK6 promotes HIF1A stabilization","Glutamate binding","activation of AMPA receptors and synaptic plasticity","Interleukin-1 family signaling","Generation of second messenger molecules
","Signaling by NTRK3 (TRKC)","PI Metabolism","G alpha (i) signalling events","Loss of Function of SMAD2/3 in Cancer","NS1 Mediated Effects on Host Pathways",Mitophagy,"Major pathway of rRNA processin
g in the nucleolus and cytosol","Mitotic Prophase","IGF1R signaling cascade","Signaling by ROBO receptors","VEGFA-VEGFR2 Pathway","Signaling by FGFR1 in disease","Toll Like Receptor 4 (TLR4) Cascade",
"Host Interactions of HIV factors","Toll Like Receptor 2 (TLR2) Cascade","G2/M DNA damage checkpoint","Signaling by FGFR3 in disease","HDR through Homologous Recombination (HRR) or Single Strand Annea
ling (SSA)","VEGF ligand-receptor interactions","PTEN Regulation","Signaling by FGFR2 in disease","RHO GTPases activate CIT","Regulation of cytoskeletal remodeling and cell spreading by IPP complex co
mponents","G0 and Early G1","Transcriptional Regulation by VENTX","Sphingolipid de novo biosynthesis","Drug resistance of PDGFR mutants","HIV Life Cycle","Signaling by FGFR4","Transcriptional regulati
on by RUNX1","Negative regulation of the PI3K/AKT network","RHO GTPases activate PKNs","RHO GTPases activate PAKs","L1CAM interactions","Golgi Associated Vesicle Biogenesis","FCERI mediated Ca+2 mobil
ization","G1/S Transition","Glycogen breakdown (glycogenolysis)","PTK6 Down-Regulation","Signaling downstream of RAS mutants","EPHB-mediated forward signaling","Regulation of TP53 Activity","MyD88 cas
cade initiated on plasma membrane","Negative regulation of MAPK pathway","Post NMDA receptor activation events","EPHA-mediated growth cone collapse","Anti-inflammatory response favouring Leishmania pa
rasite infection","Sema4D in semaphorin signaling","Leishmania phagocytosis","Gastrin-CREB signalling pathway via PKC and MAPK","Calmodulin induced events","Signalling to ERKs","Interleukin-15 signali
ng","Dasatinib-resistant KIT mutants","SARS-CoV-1 Genome Replication and Transcription","SEMA3A-Plexin repulsion signaling by inhibiting Integrin adhesion","Mitotic Anaphase","IRS-mediated signalling"
,"Regulation of IFNA signaling","ISG15 antiviral mechanism","Interleukin receptor SHC signaling","Centrosome maturation","Cyclin D associated events in G1","Activation of APC/C and APC/C:Cdc20 mediate
d degradation of mitotic proteins","Trafficking of AMPA receptors","Interleukin-1 signaling","Interleukin-2 signaling","Activated NTRK3 signals through PI3K","Synthesis of PIPs at the plasma membrane"
,"Visual phototransduction","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Inhibition of PKR","Receptor Mediated Mitophagy","Nuclear Envelope Breakdown","IRS-related events triggered by IGF1R","Ac
tivation of RAC1","VEGFR2 mediated cell proliferation","FGFR1 mutant receptor activation","MyD88-independent TLR4 cascade","The role of Nef in HIV-1 replication and disease pathogenesis","Toll Like Re
ceptor TLR6:TLR2 Cascade","RAS processing","Synthesis of PIPs at the Golgi membrane","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","Signaling by FGFR3 point mutants in cancer","HDR 
through Homologous Recombination (HRR)","VEGF binds to VEGFR leading to receptor dimerization","Regulation of PTEN stability and activity","FGFR2 mutant receptor activation","Role of ABL in ROBO-SLIT 
signaling","Imatinib-resistant PDGFR mutants","Activation of TRKA receptors","Ephrin signaling","Late Phase of HIV Life Cycle","Negative regulation of FGFR4 signaling","RUNX1 regulates transcription o
f genes involved in BCR signaling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Recycling pathway of L1","Signalling to ERK5","CRMPs in Sema3A signaling","Activated PKN1 stimulates transcription 
of AR (androgen receptor) regulated genes KLK2 and KLK3","Downstream signaling of activated FGFR4","Activation of the pre-replicative complex","Regulation of TP53 Expression and Degradation","MAP kina
se activation","Negative feedback regulation of MAPK pathway","Regulation of TP53 Activity through Acetylation","Activation of RAC1 downstream of NMDARs","FCGR3A-mediated IL10 synthesis","Sema4D induc
ed cell migration and growth-cone collapse","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","Signalling to RAS","Regulation of TP53 Activity through Phosphorylation","Prolonged ERK ac
tivation events","Sema4D mediated inhibition of cell attachment and migration","Replication of the SARS-CoV-1 genome","Separation of Sister Chromatids","PI3K Cascade","Loss of proteins required for in
terphase microtubule organization from the centrosome","APC/C:Cdc20 mediated degradation of mitotic proteins","Trafficking of GluR2-containing AMPA receptors","The phototransduction cascade","Activati
on of NIMA Kinases NEK9",NEK6,NEK7,"Long-term potentiation","Signaling by activated point mutants of FGFR1","TRIF(TICAM1)-mediated TLR4 signaling","Nef and signal transduction","MyD88:MAL(TIRAP) casca
de initiated on plasma membrane","FGFR3 mutant receptor activation","Homologous DNA Pairing and Strand Exchange","Activated point mutants of FGFR2","Nef-mediates down modulation of cell surface recept
ors by recruiting them to clathrin adapters","NGF-independant TRKA activation","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Transcription of the HIV genome","Spr
y regulation of FGF signaling","PKA-mediated phosphorylation of CREB","CD163 mediating an anti-inflammatory response","FRS-mediated FGFR4 signaling","Regulation of TP53 Degradation","MAPK targets/ Nuc
lear events mediated by MAP kinases","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human TAK1","PI5P Regulates TP53 Acetylation","p38MAPK events","Frs2-mediated activation
","Loss of Nlp from mitotic centrosomes","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint",Inactivation,"recovery and regulation of the phototra
nsduction cascade","ARMS-mediated activation","TRAF6-mediated induction of TAK1 complex within TLR4 complex","activated TAK1 mediates p38 MAPK activation","Signaling by activated point mutants of FGFR
3","Presynaptic phase of homologous DNA pairing and strand exchange","IKK complex recruitment mediated by RIP1","Nef Mediated CD4 Down-regulation","Ras activation upon Ca2+ influx through NMDA recepto
r","HIV Transcription Elongation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","PKA activation","Activation of the AP-1 family of transcription factors","CREB phosphorylation","APC-Cdc20 med
iated degradation of Nek2A","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{RET,SYK}

> <broad_moa>
{"SYK inhibitor"}

> <synonyms>
{"Tamatinib free base",841290-80-0,841290800,"841290 80 0",R-406,R406,"R 406","R406 (free base)",tamatinib,"R406 free base","R406(free base)",UNII-RC3A285J2G,UNIIRC3A285J2G,"UNII RC3A285J2G",CHEMBL475
251,RC3A285J2G,"841290-80-0 (free base)","841290800 (free base)","841290 80 0 (free base)",C22H23FN6O5,BDBM50249542,3fqs,3piy,Kinome_1211,Kinome1211,Kinome-1211,"Kinome 1211",PubChem22483,QCR-9,QCR9,"
QCR 9",c,T2467,SY-R406,S1533}

> <pdid>
PD003501

> <targets>
{Syk}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{11213558}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 26 27  0  0  1  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    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
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -1.2990   -6.7517    0.0000 C   0  0
   -1.2990   -8.2525    0.0000 C   0  0  1  0  0  0
    0.0003   -9.0021    0.0000 C   0  0
   -2.5983   -7.5029    0.0000 O   0  0
   -2.5983   -9.0037    0.0000 C   0  0
   -2.5983  -10.5045    0.0000 O   0  0
   -3.8968  -11.2554    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  1  0
  5 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17  3  1  0
 17 12  1  0
 15 18  1  0
 18 19  3  0
 19 20  1  0
 20 21  1  0
 20 22  1  1
 20 23  1  0
 23 24  1  0
 24 25  1  0
  4 26  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13936

> <plate>
PLATE 003

> <well>
H6

> <supplier_cmpd_name>
SAR131675

> <ctcr_id>
7246

> <supplier_cmpd_id>
T3691

> <smiles>
CCN1C(=C(C(=O)NC)C(=O)c2ccc(nc12)C#C[C@@](C)(O)COC)N

> <pd_targets>
{FLT4,KDR,FLT3}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: P
DGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by VEGF","Signaling by Insulin receptor","VEGF ligand-receptor interactions","VEGFA-VEGFR2 Pathway","Insulin receptor signall
ing cascade","VEGF binds to VEGFR leading to receptor dimerization","VEGFR2 mediated cell proliferation","IRS-mediated signalling","PI3K Cascade"}

> <broad_targets>
{FLT4}

> <broad_moa>
{"VEGFR inhibitor"}

> <synonyms>
{SAR131675,1433953-83-3,1433953833,SAR-131675,CHEMBL4303275,1092539-44-0,1092539440,"SAR 131675",SCHEMBL15668398,AOB5918,SYN1165,HMS3651B17,EX-A2154,EXA2154,2701AH,BDBM50509146,s2842,ZINC89630340,CCG-
268137,CCG268137,CS-0970,CS0970,SB19357,NCGC00386207-01,NCGC0038620701,AC-32832,AC32832,AK547384,AS-16301,AS16301,HY-15458,HY15458,SW219,S2842}

> <pdid>
PD056784

> <targets>
{VEGFR}

> <classes>
{}

> <pubchem_cids>
{71295845}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968    1.5003    0.0000 C   0  0
   -6.5472    0.8772    0.0000 N   0  0
   -7.5527    1.9903    0.0000 C   0  0
   -6.8048    3.2905    0.0000 N   0  0
   -5.3371    2.9810    0.0000 C   0  0
   -4.2174    3.9803    0.0000 C   0  0
   -2.7654    3.6256    0.0000 C   0  0
   -1.7292    4.7101    0.0000 C   0  0
   -2.1503    6.1498    0.0000 N   0  0
   -3.6077    6.5049    0.0000 C   0  0
   -4.6439    5.4203    0.0000 C   0  0
   -9.0450    1.8311    0.0000 C   0  0
   -9.7512    0.5133    0.0000 C   0  0
  -11.2505    0.4669    0.0000 C   0  0
  -12.0404    1.7420    0.0000 C   0  0
  -11.3310    3.0637    0.0000 C   0  0
   -9.8317    3.1102    0.0000 C   0  0
  -13.5406    1.6986    0.0000 S   0  0
  -14.2523    0.3782    0.0000 C   0  0
  -14.3287    2.9749    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  6  1  0
 11 12  2  0
 12  3  1  0
  8 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 13  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 15 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 27 30  1  0
 30 31  1  0
 30 32  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13937

> <plate>
PLATE 003

> <well>
H7

> <supplier_cmpd_name>
Tie2 kinase inhibitor

> <ctcr_id>
3256

> <supplier_cmpd_id>
T6335

> <smiles>
COc1ccc2cc(ccc2c1)c3nc([nH]c3c4ccncc4)c5ccc(cc5)[S](C)=O

> <pd_targets>
{TEK}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type XII RTKs: TIE family of angiopoietin receptors"}

> <pathway_reactome>
{"Signal Transduction","MAPK family signaling cascades","MAPK1/MAPK3 signaling","RAF/MAP kinase cascade"}

> <broad_targets>
{KDR,MAPK14}

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

> <synonyms>
{"Tie2 kinase inhibitor",948557-43-5,948557435,"Tie2 kinase-IN-1","Tie2 kinaseIN1","Tie2 kinase inhibitor 1",Tie2-IN-5,Tie2IN5,CHEMBL237352,C26H21N3O2S,"Tie-2 kinase Inhibitor","Tie2 kinase Inhibitor"
,MLS006011077,GTPL9348,SCHEMBL17835458,CHEBI:91442,DTXSID60635231,HMS3655I07,HMS3672K19,BCP,S1577}

> <pdid>
PD003231

> <targets>
{Tie-2}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{23625762}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 31 35  0  0  0  0            999 V2000
    5.2311   -3.4009    0.0000 O   0  0
    3.8056   -3.8679    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.5532    4.4223    0.0000 O   0  0
   -0.3115    2.9665    0.0000 C   0  0
    0.6890    4.0818    0.0000 C   0  0
    0.2234    5.5086    0.0000 C   0  0
    1.1079    6.7043    0.0000 C   0  0
    0.2222    7.9149    0.0000 C   0  0
    0.6775    9.3423    0.0000 C   0  0
   -0.3320   10.4528    0.0000 N   0  0
    0.1218   11.8826    0.0000 C   0  0
   -0.8895   12.9904    0.0000 C   0  0
   -2.3546   12.6686    0.0000 O   0  0
   -2.8084   11.2389    0.0000 C   0  0
   -1.7972   10.1311    0.0000 C   0  0
   -1.2028    7.4466    0.0000 C   0  0
   -1.1979    5.9466    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3786   -3.8595    0.0000 C   0  0
   -0.0436   -3.3826    0.0000 O   0  0
    1.8372   -5.2877    0.0000 C   0  0
    3.3372   -5.2929    0.0000 S   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12  7  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 16 24  2  0
 24 25  1  0
 25 14  1  0
  8 26  1  0
 26 27  2  0
 27  5  1  0
  3 28  1  0
 28 29  2  0
 28 30  1  0
 30 31  1  0
 31  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13938

> <plate>
PLATE 003

> <well>
H8

> <supplier_cmpd_name>
S49076

> <ctcr_id>
12543

> <supplier_cmpd_id>
T3274

> <smiles>
O=C1N(Cc2cc3c(NC(=O)/C/3=C\c3cc(CN4CCOCC4)c[nH]3)cc2)C(=O)CS1

> <pd_targets>
{AXL}

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

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

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

> <broad_targets>
{}

> <broad_moa>
{"tyrosine kinase inhibitor"}

> <synonyms>
{s49076,1265965-22-7,1265965227,S-49076,S49076,UNII-65ZUU7MATU,UNII65ZUU7MATU,65ZUU7MATU,CHEMBL3808948,"S-49076(Free base)","S49076(Free base)",SCHEMBL259822,EX-A1858,EXA1858,BDBM50172080,s8404,ZINC11
3422876,CCG-269111,CCG269111,CS-6191,CS6191,AC-33035,AC33035,BS-14862,BS14862,HY-12965,HY12965,"S 49076",T3274}

> <pdid>
PD056773

> <targets>
{c-Met,FGFR,"TAM Receptor",Met,FGFR2,FGFR3,AXL,Mer,c-Met/HGFR}

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

> <pubchem_cids>
{49870909}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 24 27  0  0  0  0            999 V2000
    5.0960   -3.6352    0.0000 O   0  0
    4.0146   -4.6747    0.0000 C   0  0
    4.2107   -6.1619    0.0000 C   0  0
    5.5261   -6.8792    0.0000 C   0  0
    5.5635   -8.3796    0.0000 C   0  0
    6.8794   -9.0997    0.0000 C   0  0
    6.9138  -10.5993    0.0000 C   0  0
    5.6323  -11.3789    0.0000 C   0  0
    4.3164  -10.6588    0.0000 C   0  0
    4.2820   -9.1592    0.0000 C   0  0
    2.8570   -6.8080    0.0000 C   0  0
    2.5840   -8.2829    0.0000 C   0  0
    1.8242   -5.7201    0.0000 N   0  0
    2.5536   -4.4230    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    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
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  3 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14  2  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
 19 21  2  0
 21 22  1  0
 22 23  2  0
 23 17  1  0
 23 24  1  0
 24 15  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13939

> <plate>
PLATE 003

> <well>
H9

> <supplier_cmpd_name>
HUHS015

> <ctcr_id>
13051

> <supplier_cmpd_id>
T3160

> <smiles>
Oc1c(Cc2ccccc2)c(C)nn1c1nc2cc(C)ccc2[nH]1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{HUHS015,1453097-13-6,1453097136,HUHS-015,4-benzyl-3-methyl-1-(5-methyl-1H-benzo(d)imidazol-2-yl)-1H-pyrazol-5-ol.,4benzyl3methyl1(5methyl1Hbenzo(d)imidazol2yl)1Hpyrazol5ol.,4-benzyl-3-methyl-1-(6-met
hyl-1H-benzo(d)imidazol-2-yl)-1H-pyrazol-5-ol,4benzyl3methyl1(6methyl1Hbenzo(d)imidazol2yl)1Hpyrazol5ol,CHEMBL3115002,CHEMBL3145419,SCHEMBL15246700,"HUHS-015;HUHS 015","HUHS015;HUHS 015",AMY39875,T316
0}

> <pdid>
PD056454

> <targets>
{"PCA-1/ALKBH3 inhibitor"}

> <classes>
{Others}

> <pubchem_cids>
{71696702}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 32 36  0  0  0  0            999 V2000
   -8.9766   -2.9827    0.0000 C   0  0
   -7.5391   -3.4113    0.0000 O   0  0
   -6.4479   -2.3809    0.0000 C   0  0
   -6.7976   -0.9222    0.0000 C   0  0
   -5.7092    0.1100    0.0000 C   0  0
   -4.2711   -0.3166    0.0000 C   0  0
   -3.9214   -1.7752    0.0000 C   0  0
   -5.0098   -2.8075    0.0000 C   0  0
   -4.6570   -4.2663    0.0000 N   0  0
   -3.2175   -4.6910    0.0000 C   0  0
   -2.8628   -6.1485    0.0000 N   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 N   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    3.8805   -1.4410    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -6.0590    1.5694    0.0000 N   0  0
   -7.4964    1.9983    0.0000 C   0  0
   -7.8438    3.4575    0.0000 C   0  0
   -6.7537    4.4879    0.0000 N   0  0
   -7.1011    5.9472    0.0000 C   0  0
   -5.3163    4.0591    0.0000 C   0  0
   -4.9690    2.5999    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  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 16  1  0
 25 20  1  0
  5 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 26  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13940

> <plate>
PLATE 003

> <well>
H10

> <supplier_cmpd_name>
AZ191

> <ctcr_id>
4903

> <supplier_cmpd_id>
T6257

> <smiles>
COc1cc(ccc1Nc2nccc(n2)c3cn(C)c4cnccc34)N5CCN(C)CC5

> <pd_targets>
{IGF1R,DYRK1A,DYRK1B,CDK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","CMGC protein kinase group","Tyrosine protein kinase InsR family","CMGC protein kinase DYRK family","CMGC protein kinase CDK family","CMGC pro
tein kinase Dyrk1 subfamily","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TK: Tyrosine kinase","Dual-specificity tyrosine-(Y)-phosphorylation 
regulated kinase (DYRK) family","Cyclin-dependent kinase (CDK) family","Receptor tyrosine kinases (RTKs)","Dyrk1 subfamily","CDK1 subfamily","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Signal Transduction","Cell Cycle","Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases",Mitotic,"RNA Polymerase II Transcription","Signaling by Type 1 Insulin-like Growth Factor
 1 Receptor (IGF1R)","Mitotic G1 phase and G1/S transition","Generic Transcription Pathway","IGF1R signaling cascade","G0 and Early G1","Transcriptional Regulation by TP53","IRS-related events trigger
ed by IGF1R","Regulation of TP53 Activity","Regulation of TP53 Expression and Degradation","Regulation of TP53 Degradation"}

> <broad_targets>
{DYRK1B}

> <broad_moa>
{"DYRK inhibitor"}

> <synonyms>
{AZ191,1594092-37-1,1594092371,AZ-191,"AZ 191",CHEMBL3421968,C24H27N7O,GTPL9268,HMS3653O14,BCP12820,EX-A1800,EXA1800,BDBM50081174,s7338,ZINC96170450,AKOS025293491,CCG-268996,CCG268996,CS-4277,CS4277,"
Compound 19  (PMID25738750)",NCGC00389251-01,NCGC0038925101,"AZ191, >=98 (HPLC)",DA-35314,DA35314,HY-12277,HY12277,FT,T6257,S7338}

> <pdid>
PD003259

> <targets>
{Others}

> <classes>
{Others}

> <pubchem_cids>
{72716071}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 17 17  0  0  0  0            999 V2000
    3.9096   -3.7486    0.0000 C   0  0
    5.2060   -2.9940    0.0000 C   0  0
    6.5074   -3.7399    0.0000 O   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8960   -0.7508    0.0000 C   0  0
    2.5923   -0.0089    0.0000 N   0  0
    6.4959   -0.7356    0.0000 C   0  0
    6.4871    0.7644    0.0000 O   0  0
    7.8003   -1.4780    0.0000 N   0  0
    9.0958   -0.7204    0.0000 C   0  0
    9.0844    0.7796    0.0000 C   0  0
   10.3778    1.5394    0.0000 C   0  0
   10.3664    3.0394    0.0000 Br  0  0
   11.6824    0.7993    0.0000 C   0  0
   11.6938   -0.7006    0.0000 C   0  0
   10.4005   -1.4605    0.0000 C   0  0
   10.4119   -2.9604    0.0000 Br  0  0
  1  2  1  0
  2  3  1  0
  2  4  2  0
  4  5  1  0
  5  6  3  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 12 14  2  0
 14 15  1  0
 15 16  2  0
 16 10  1  0
 16 17  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13941

> <plate>
PLATE 003

> <well>
H11

> <supplier_cmpd_name>
LFM-A13

> <ctcr_id>
7671

> <supplier_cmpd_id>
T6217

> <smiles>
C/C(O)=C(C#N)/C(=O)Nc1cc(Br)ccc1Br

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{FMA1,"FM A1",lfm-a13,lfma13,"lfm a13",244240-24-2,244240242,"244240 24 2","(Z)-2-cyano-N-(2,5-dibromophenyl)-3-hydroxybut-2-enamide","(Z)2cyanoN(2,5dibromophenyl)3hydroxybut2enamide","(Z) 2 cyano N (
2,5 dibromophenyl) 3 hydroxybut 2 enamide",62004,1300,LFM-A13}

> <pdid>
PD002701

> <targets>
{BTK,Btk,JAK,"Polo-like Kinase (PLK)"}

> <classes>
{Cell Cycle/DNA Damage,Epigenetics,JAK/STAT Signaling,Protein Tyrosine Kinase/RTK,Stem Cell/Wnt}

> <pubchem_cids>
{54676905}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
   -6.5529  -10.5899    0.0000 C   0  0
   -5.0856  -10.2783    0.0000 N   0  0
   -4.0821  -11.3932    0.0000 C   0  0
   -2.6148  -11.0816    0.0000 C   0  0
   -2.1509   -9.6551    0.0000 N   0  0
   -3.1545   -8.5402    0.0000 C   0  0
   -4.6218   -8.8518    0.0000 C   0  0
   -0.6835   -9.3403    0.0000 C   0  0
    0.3219  -10.4535    0.0000 O   0  0
   -0.2222   -7.9149    0.0000 C   0  0
    1.2028   -7.4466    0.0000 C   0  0
    2.4192   -8.3243    0.0000 C   0  0
    1.1979   -5.9466    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 O   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -1.3010    3.7516    0.0000 C   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -3.9027    5.2517    0.0000 C   0  0
   -5.2032    5.9990    0.0000 C   0  0
   -6.5007    5.2464    0.0000 C   0  0
   -6.4977    3.7464    0.0000 C   0  0
   -7.7952    2.9937    0.0000 Cl  0  0
   -5.1971    2.9990    0.0000 C   0  0
   -1.1079   -6.7042    0.0000 C   0  0
   -2.6079   -6.7003    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 16  1  0
 25 20  1  0
 23 26  1  0
 26 27  2  0
 26 28  2  0
 26 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 35 37  2  0
 37 31  1  0
 14 38  2  0
 38 10  1  0
 38 39  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13942

> <plate>
PLATE 004

> <well>
A2

> <supplier_cmpd_name>
SU11274

> <ctcr_id>
4849

> <supplier_cmpd_id>
T6154

> <smiles>
CN1CCN(CC1)C(=O)c2c(C)[nH]c(C=C3C(=O)Nc4ccc(cc34)[S](=O)(=O)N(C)c5cccc(Cl)c5)c2C

> <pd_targets>
{PTK2B,RORC,MET,RECQL,CCNE1,CDK2,KMT2A,MEN1}

> <pathway_gtopdb>
{Enzyme,"Transcription factor","Epigenetic regulator",Kinase,"Nuclear receptor",Reader,"Protein Kinase","Nuclear hormone receptor subfamily 1",Bromodomain,"TK protein kinase group","Nuclear hormone re
ceptor subfamily 1 group F","CMGC protein kinase group","Tyrosine protein kinase Fak family","Nuclear hormone receptor subfamily 1 group F member 3","Tyrosine protein kinase Met family","CMGC protein 
kinase CDK family","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Nuclear hormone receptors","Receptor kinases","1F. Retinoic acid-related orphans","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kin
ases (RTKs)","Fak family","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Immune System","Gene expression (Transcription)","Developmental Biology","Cytokine Signaling in Immune system","RNA Polymerase II Transcription","Nervous system development","Signaling by Interleuki
ns","Generic Transcription Pathway","Axon guidance","Interleukin-2 family signaling","Transcriptional regulation by RUNX3","Semaphorin interactions","Interleukin-2 signaling","RUNX3 Regulates Immune R
esponse and Cell Migration","Sema4D in semaphorin signaling","Sema4D mediated inhibition of cell attachment and migration"}

> <broad_targets>
{MET}

> <broad_moa>
{"hepatocyte growth factor receptor inhibitor","tyrosine kinase inhibitor"}

> <synonyms>
{U11274(PKISU11274,HMS3295E03,HMS3654C17,NCGC00165902-02,NCGC0016590202,FT-0700347,FT0700347,SW219453-1,SW2194531,Q27163250,T6154,"EMD 448101",S1080,SU11274,448101,SU11274(PKI-SU11274),"SU 11274"}

> <pdid>
PD003569

> <targets>
{c-Met,c-MET}

> <classes>
{}

> <pubchem_cids>
{53396327}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    9.0685    5.2795    0.0000 C   0  0
    9.0758    3.7795    0.0000 N   0  0
    7.7802    3.0220    0.0000 C   0  0
    6.4773    3.7652    0.0000 O   0  0
    7.7876    1.5211    0.0000 C   0  0
    6.4920    0.7636    0.0000 N   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 N   0  0
    1.2960    5.2539    0.0000 C   0  0
   -0.0056    5.9995    0.0000 C   0  0
   -0.0108    7.4995    0.0000 C   0  0
    1.2856    8.2540    0.0000 C   0  0
    2.5873    7.5085    0.0000 C   0  0
    3.8837    8.2630    0.0000 Cl  0  0
    2.5924    6.0085    0.0000 C   0  0
    3.8941    5.2631    0.0000 F   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -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  6  1  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 18  1  0
 24 25  1  0
 16 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 15  1  0
 29 30  1  0
 30 31  2  0
 31 13  1  0
 31 32  1  0
 32 33  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13943

> <plate>
PLATE 004

> <well>
A3

> <supplier_cmpd_name>
Sapitinib

> <ctcr_id>
1497

> <supplier_cmpd_id>
T6092

> <smiles>
CNC(=O)CN1CCC(CC1)Oc2cc3c(Nc4cccc(Cl)c4F)ncnc3cc2OC

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

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology","Neuronal System","Intracellular signaling by second messengers","Signaling by GPCR","Nervous system development","Transmission across Chemical Synapses"
,"PIP3 activates AKT signaling","GPCR downstream signalling","Axon guidance","Neurotransmitter receptors and postsynaptic signal transmission","Negative regulation of the PI3K/AKT network","G alpha (q
) signalling events","Semaphorin interactions","Activation of NMDA receptors and postsynaptic events",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Gastrin-CREB signalling pathway via PKC and MAPK
","Sema4D in semaphorin signaling","Post NMDA receptor activation events","EGFR Transactivation by Gastrin","Sema4D induced cell migration and growth-cone collapse","Long-term potentiation"}

> <broad_targets>
{EGFR,ERBB2,ERBB3}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{Sapitinib,AZD8931,848942-61-0,848942610,AZD-8931,"AZD8931 (Sapitinib)",Sapitinib(AZD8931),UNII-3499328002,UNII3499328002,CHEMBL2408045,"Sapitinib (AZD-8931)","Sapitinib (AZD8931)","Sapitinib (INN)","
Sapitinib (WHO-DD)","Sapitinib (WHODD)",sapitinibum,"AZD 8931",AZD-8931(Sapitinib),AZD8931(Sapitinib),cc-427,cc427,MLS006011283,SCHEMBL202358,T6092,S2192}

> <pdid>
PD010834

> <targets>
{EGFR,HER2}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{11488320}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    7.7882   -3.0088    0.0000 C   0  0
    6.4894   -3.7592    0.0000 C   0  0
    6.4889   -5.2601    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    5.1937   -3.0093    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 Br  0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.2941   -3.7521    0.0000 C   0  0
   -0.0063   -4.4998    0.0000 N   0  0
    5.1873   -7.5117    0.0000 C   0  0
    6.4837   -8.2663    0.0000 C   0  0
    6.4785   -9.7663    0.0000 C   0  0
    5.1769  -10.5118    0.0000 C   0  0
    3.8804   -9.7573    0.0000 C   0  0
    3.8856   -8.2573    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 16 10  1  0
  8 17  1  0
 17 18  3  0
  4 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13944

> <plate>
PLATE 004

> <well>
A4

> <supplier_cmpd_name>
Degrasyn

> <ctcr_id>
850

> <supplier_cmpd_id>
T6300

> <smiles>
CCCC(NC(=O)C(=Cc1cccc(Br)n1)C#N)c2ccccc2

> <pd_targets>
{USP9X,UCHL1,USP5}

> <pathway_gtopdb>
{Enzyme,Protease,"Cysteine protease","Cysteine protease CA clan","Cysteine protease C19 family","Cysteine protease C12 family"}

> <pathway_chembl>
{Enzymes,"Peptidases and proteinases","CA: Cysteine (C) Peptidases","C12: Ubiquitin C-terminal hydrolase","C19: Ubiquitin-specific protease"}

> <pathway_reactome>
{"Gene expression (Transcription)","Metabolism of proteins","RNA Polymerase II Transcription","Post-translational protein modification","Generic Transcription Pathway",Deubiquitination,"Transcriptiona
l activity of SMAD2/SMAD3:SMAD4 heterotrimer","UCH proteinases","Ub-specific processing proteases","Downregulation of SMAD2/3:SMAD4 transcriptional activity"}

> <broad_targets>
{JAK2,UCHL5,USP14,USP9X}

> <broad_moa>
{"deubiquitinase inhibitor"}

> <synonyms>
{CHEMBL2138527,HMS3655P14,BCP02590,T6300,S2243,Degrasyn,WP1130,"Degrasyn (WP1130)"}

> <pdid>
PD003660

> <targets>
{DUB,Bcr-Abl}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{72757535}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 32 37  0  0  0  0            999 V2000
    5.0187   -7.7574    0.0000 C   0  0
    5.8033   -6.4790    0.0000 C   0  0
    7.3030   -6.5094    0.0000 O   0  0
    4.3640   -6.0568    0.0000 C   0  0
    4.8099   -4.6672    0.0000 C   0  0
    6.2255   -5.0396    0.0000 C   0  0
    4.2013   -3.2954    0.0000 C   0  0
    2.7345   -2.9814    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.4971   -0.7525    0.0000 C   0  0
   -7.7950   -1.5046    0.0000 C   0  0
   -7.7926   -3.0046    0.0000 C   0  0
   -6.4923   -3.7525    0.0000 C   0  0
   -5.1945   -3.0005    0.0000 C   0  0
    3.9504   -0.8818    0.0000 C   0  0
    4.4160    0.5441    0.0000 C   0  0
    3.4139    1.6603    0.0000 N   0  0
    5.8837    0.8539    0.0000 N   0  0
    6.8858   -0.2623    0.0000 C   0  0
    6.4202   -1.6882    0.0000 C   0  0
    4.9525   -1.9980    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  2  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 13  1  0
 18 19  2  0
 19 10  1  0
 16 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
  9 26  2  0
 26 27  1  0
 27 28  1  0
 27 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32  7  1  0
 32 26  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13945

> <plate>
PLATE 004

> <well>
A5

> <supplier_cmpd_name>
Linsitinib

> <ctcr_id>
7414

> <supplier_cmpd_id>
T6017

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

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

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

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

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

> <broad_targets>
{IGF1R,INSR,INSRR}

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

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

> <pdid>
PD003549

> <targets>
{IGF-1R}

> <classes>
{}

> <pubchem_cids>
{11640390}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 31 35  0  0  1  0            999 V2000
    4.4424    6.8195    0.0000 C   0  0
    3.5468    5.6162    0.0000 N   0  0
    3.9939    4.1844    0.0000 C   0  0
    2.7741    3.3419    0.0000 C   0  0
    1.5670    4.2123    0.0000 C   0  0
    2.0469    5.6335    0.0000 N   0  0
    2.6395    1.8472    0.0000 C   0  0
    3.7691    0.8603    0.0000 N   0  0
    3.1796   -0.5190    0.0000 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 N   0  0
   -1.6852   -0.3847    0.0000 N   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
    1.3649   -2.9401    0.0000 C   0  0
    2.8542   -3.1192    0.0000 C   0  0
    3.7539   -1.9190    0.0000 C   0  0
    3.4469   -4.4980    0.0000 N   0  0
    4.9372   -4.6751    0.0000 C   0  0
    5.8349   -3.4733    0.0000 O   0  0
    5.5299   -6.0539    0.0000 C   0  0  1  0  0  0
    7.0203   -6.2310    0.0000 C   0  0
    7.6147   -7.6082    0.0000 C   0  0
    9.1046   -7.7821    0.0000 C   0  0
   10.0001   -6.5788    0.0000 C   0  0
    9.4058   -5.2016    0.0000 C   0  0
    7.9160   -5.0276    0.0000 C   0  0
    4.6323   -7.2557    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  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11  7  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 10  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20  9  1  0
 19 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 25  1  0
 24 31  1  1
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13946

> <plate>
PLATE 004

> <well>
A6

> <supplier_cmpd_name>
PF-477736

> <ctcr_id>
11932

> <supplier_cmpd_id>
T6028

> <smiles>
Cn1cc(cn1)c1nc2c3c1c[nH][nH]c(=O)c3cc(c2)NC(=O)[C@@H](C1CCCCC1)N

> <pd_targets>
{CHEK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase CAMK1 family","CAMK protein kinase CHK1 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","CAMK-like (CAMKL) family","CHK1 subfamily"}

> <pathway_reactome>
{"DNA Repair","DNA Double-Strand Break Repair","Homology Directed Repair","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","HDR through Homologous Recombination (HRR)","Ho
mologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{F47773,MLS006011242,PF-477736,PF477736,952021-60-2,952021602,"PF 477736",PF-00477736,PF00477736,UNII-XO23PGZ0SM,UNIIXO23PGZ0SM,PF0477736,XO23PGZ0SM,CHEMBL3990456,"952021-60-2 (free base)","952021602 
(free base)","PF 00477736",1071848-28-6,1071848286,cc-269,cc269,SCHEMBL13599879,CHEBI:91385,AOB2260,SYN1174,BCP02213,EX-A2131,EXA2131,ABP0,T6028}

> <pdid>
PD003272

> <targets>
{c-Fms,Chk1,Chk2,Yes,VEGFR2}

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

> <pubchem_cids>
{135565545}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 32  0  0  1  0            999 V2000
    6.4902   -5.2570    0.0000 C   0  0
    6.4931   -3.7570    0.0000 C   0  0
    7.7906   -4.5097    0.0000 C   0  0
    5.1945   -3.0045    0.0000 C   0  0
    5.1969   -1.5045    0.0000 N   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    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
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.5981   -3.0008    0.0000 C   0  0  2  0  0  0
   -1.3002   -3.7529    0.0000 C   0  0
   -1.3026   -5.2529    0.0000 C   0  0
   -2.6028   -6.0009    0.0000 C   0  0  2  0  0  0
   -3.9007   -5.2488    0.0000 C   0  0
   -3.8983   -3.7488    0.0000 C   0  0
   -2.6021   -7.5017    0.0000 O   0  0
   -1.3032   -8.2519    0.0000 C   0  0
    7.7938   -3.0099    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 13  1  0
 21 16  1  6
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 21  1  0
 24 27  1  1
 27 28  1  0
  2 29  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13947

> <plate>
PLATE 004

> <well>
A7

> <supplier_cmpd_name>
CC-223

> <ctcr_id>
11619

> <supplier_cmpd_id>
T3351

> <smiles>
CC(C)(c1ncc(cc1)c1cnc2c(n1)N(C(=O)CN2)[C@@H]1CC[C@H](CC1)OC)O

> <pd_targets>
{CSF1R,FLT4,MTOR,PIK3CA,PIK3C3,PIK3CB,PIK3CD,PI4KB,KCNH2,PIK3CG,MLST8,RPTOR}

> <pathway_gtopdb>
{Enzyme,"Ion channel",Kinase,Transferase,"Voltage-gated ion channel","Protein Kinase","Potassium channels","TK protein kinase group","Atypical protein kinase group","Voltage-gated potassium channel","
Tyrosine protein kinase PDGFR family","Tyrosine protein kinase VEGFR family","Atypical protein kinase PIKK family","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Ion channels","Catalytic receptors","Kinases (EC 2.7.x.x)","Voltage-gated ion channels","Receptor kinases",Atypical,"Lipid modifying kinases","Potassium channels","TK: Tyrosine kin
ase","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Phosphatidylinositol 3-kinase family","1-phosphatidylinositol 4-kinase fam
ily","Voltage-gated potassium channels","Receptor tyrosine kinases (RTKs)","FRAP subfamily","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type IV RTKs: VEGF (vascular endothelial growth fact
or) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction",Disease,"Immune System",Metabolism,"Muscle contraction","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Diseases of
 signal transduction by growth factor receptors and second messengers","Cytokine Signaling in Immune system","Metabolism of lipids","Cardiac conduction","Generic Transcription Pathway","Signaling by V
EGF","Signaling by FGFR in disease","Signaling by Insulin receptor","Signaling by Interleukins","Phospholipid metabolism","Phase 3 - rapid repolarisation","Transcriptional Regulation by VENTX","VEGF l
igand-receptor interactions","Transcriptional Regulation by TP53","Signaling by FGFR1 in disease","Insulin receptor signalling cascade",Interleukin-3,"Interleukin-5 and GM-CSF signaling","PI Metabolis
m","VEGF binds to VEGFR leading to receptor dimerization","Regulation of TP53 Activity","FGFR1 mutant receptor activation","IRS-mediated signalling","Interleukin receptor SHC signaling","Synthesis of 
PIPs at the Golgi membrane","Synthesis of PIPs at the plasma membrane","Regulation of TP53 Expression and Degradation","Signaling by cytosolic FGFR1 fusion mutants","PI3K Cascade","Regulation of TP53 
Degradation"}

> <broad_targets>
{MTOR}

> <broad_moa>
{"mTOR inhibitor"}

> <synonyms>
{C22,cc-223,cc223,1228013-30-6,1228013306,Onatasertib,UNII-I8RA3543SY,UNIII8RA3543SY,I8RA3543SY,CHEMBL3586404,ATG-008,ATG008,"Onatasertib (USAN)",CC223,"compound 37 (PMID: 26083478)","onatasertib (pro
posed INN)",SCHEMBL138069,SCHEMBL153700,SCHEMBL800493,GTPL8914,SCHEMBL16272828,EX-A781,EXA781,BCP09,T3351,CC-223}

> <pdid>
PD051630

> <targets>
{mTOR,c-Fms,DNA-PK,FLT4,PI3K-¦Á,Apoptosis}

> <classes>
{DNA Damage/DNA Repair,Angiogenesis,PI3K/Akt/mTOR signaling,Tyrosine Kinase/Adaptors,Apoptosis,PI3K/Akt/mTOR}

> <pubchem_cids>
{58298316}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
   11.6934    3.7454    0.0000 C   0  0
   10.3951    2.9942    0.0000 N   0  0
   10.3965    1.4942    0.0000 C   0  0
    9.0982    0.7430    0.0000 C   0  0
    7.7983    1.4917    0.0000 N   0  0
    7.7970    2.9918    0.0000 C   0  0
    9.0954    3.7430    0.0000 C   0  0
    6.4981    0.7422    0.0000 C   0  0
    6.4972   -0.7578    0.0000 C   0  0
    5.1976   -1.5070    0.0000 C   0  0
    3.8990   -0.7562    0.0000 C   0  0
    3.9001    0.7439    0.0000 C   0  0
    5.1996    1.4930    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.4133    1.7530    0.0000 C   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    0.0156   -5.9927    0.0000 N   0  0
    1.3117   -5.2360    0.0000 C   0  0
    1.3039   -3.7360    0.0000 O   0  0
    2.6156   -5.9792    0.0000 C   0  0
    3.9109   -5.2229    0.0000 C   0  0
    7.7957   -1.5087    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  3
 11 12  1  0
 12 13  2  3
 13  8  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 21  1  0
 21 17  1  0
 18 22  1  0
 22 23  2  3
 23 15  1  0
 22 24  1  0
 24 25  1  0
 25 26  2  3
 26 27  1  0
 27 28  2  3
 28 29  1  0
 29 30  2  3
 30 25  1  0
 29 31  1  0
 31 32  1  0
 32 33  2  0
 32 34  1  0
 34 35  2  0
  9 36  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13948

> <plate>
PLATE 004

> <well>
A8

> <supplier_cmpd_name>
Avitinib

> <ctcr_id>
11540

> <supplier_cmpd_id>
T3024

> <smiles>
CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)F

> <pd_targets>
{JAK2,JAK3,EGFR,JAK1,BTK}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Janus kinase (JakA) family","Type I RTKs: ErbB (ep
idermal growth factor) receptor family","Tec family"}

> <pathway_reactome>
{"Cell Cycle","Immune System","Signal Transduction",Disease,Mitotic,"Cytokine Signaling in Immune system","Signaling by GPCR","Infectious disease","Mitotic G1 phase and G1/S transition","Signaling by 
Interleukins","GPCR downstream signalling","Interferon Signaling","Leishmania infection","G1 Phase","Interleukin-2 family signaling","G alpha (q) signalling events","Antiviral mechanism by IFN-stimula
ted genes","Parasite infection","Cyclin D associated events in G1","Interleukin-15 signaling","Gastrin-CREB signalling pathway via PKC and MAPK","ISG15 antiviral mechanism","Leishmania phagocytosis","
EGFR Transactivation by Gastrin","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{Avitinib,Abivertinib,1557267-42-1,1557267421,AC0010,AC0010MA,EX-ACEA0010,EXACEA0010,ACEA100610,"Abivertinib (USAN)","1557267-42-1 (free base)","1557267421 (free base)",AC-0010,A610,"Avitinib (AC0010)
","Avitinib free base",UNII-CER0OPG92L,UNIICER0OPG92L,CER0OPG92L,"avitinib (superceded INN)",CHEMBL4297865,SC,T3024}

> <pdid>
PD053571

> <targets>
{EGFR}

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

> <pubchem_cids>
{72734520}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13949

> <plate>
PLATE 004

> <well>
A9

> <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_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 37 41  0  0  1  0            999 V2000
   -0.7989  -10.4446    0.0000 O   0  0
    0.6283   -9.9829    0.0000 C   0  0
    1.8407  -10.8662    0.0000 O   0  0
    0.6303   -8.4829    0.0000 C   0  0  2  0  0  0
   -0.7889   -8.0383    0.0000 C   0  0  1  0  0  0
   -1.6789   -9.2299    0.0000 C   0  0  1  0  0  0
   -3.1789   -9.2189    0.0000 C   0  0
   -1.2479   -6.6094    0.0000 C   0  0
   -0.2405   -5.4968    0.0000 C   0  0  2  0  0  0
   -0.6995   -4.0679    0.0000 C   0  0  1  0  0  0
   -2.1657   -3.7515    0.0000 C   0  0
    0.3061   -2.9572    0.0000 C   0  0  1  0  0  0
    1.7979   -3.1140    0.0000 C   0  0
    2.4080   -1.7436    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
    2.5981    1.5000    0.0000 C   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  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
   -1.2991    5.2500    0.0000 C   0  0  2  0  0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0  2  0  0  0
    0.0000    1.5000    0.0000 C   0  0  1  0  0  0
   -1.2990    0.7500    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
   -1.2146   -2.3802    0.0000 C   0  0
   -1.2991    2.2500    0.0000 C   0  0
   -2.5981    6.0000    0.0000 O   0  0
   -0.0001    7.5000    0.0000 O   0  0
    2.6686   -0.1382    0.0000 O   0  0
    0.7668   -4.3843    0.0000 O   0  0
    1.2257   -5.8132    0.0000 O   0  0
    1.8398   -7.5957    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  1  1  0
  6  7  1  6
  5  8  1  1
  8  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  6
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  3
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  1
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 20  1  0
 25 26  1  0
 26 16  1  0
 26 27  1  6
 27 28  1  0
 28 29  1  0
 29 12  1  0
 29 15  1  0
 29 30  1  6
 25 31  1  6
 23 32  1  6
 22 33  1  6
 15 34  1  1
 10 35  1  6
  9 36  1  6
  4 37  1  6
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13950

> <plate>
PLATE 004

> <well>
A10

> <supplier_cmpd_name>
Cyasterone

> <ctcr_id>
11541

> <supplier_cmpd_id>
T3870

> <smiles>
O1C(=O)[C@H]([C@@H]([C@H]1C)C[C@H]([C@@](C)([C@H]1CC[C@]2(C3=CC(=O)[C@@H]4C[C@H]([C@H](C[C@@]4([C@H]3CC[C@]12C)C)O)O)O)O)O)C

> <pd_targets>
{ECR}

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

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Cyasterone,Cyasteron,CHEBI:29012,"cyasterone group",AI3-44890,AI344890,SCHEMBL990321,CHEMBL494249,"Cyasterone, >=98 (HPLC)",DTXSID60937843,HY-N0211,HYN0211,ZINC8214375,BDBM50414645,LMST01040153,s9414
,AKOS015896829,CCG-269858,CCG269858,CS-0008256,CS0008256,N2179,C08816,Q27104031,T3870}

> <pdid>
PD065182

> <targets>
{EGFR}

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

> <pubchem_cids>
{119444}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 33 36  0  0  0  0            999 V2000
    5.1884   -7.5113    0.0000 C   0  0
    5.1901   -6.0113    0.0000 C   0  0
    6.4902   -5.2631    0.0000 C   0  0
    3.8917   -5.2586    0.0000 N   0  0
    3.8934   -3.7577    0.0000 C   0  0
    2.5949   -3.0050    0.0000 C   0  0
    2.5966   -1.5042    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 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2991    5.2507    0.0000 C   0  0
   -0.0869    6.1125    0.0000 C   0  0
   -0.5527    7.5384    0.0000 N   0  0
   -2.0527    7.5360    0.0000 N   0  0
   -2.5140    6.1087    0.0000 C   0  0
    0.3270    8.7533    0.0000 C   0  0
    3.8990   -0.7582    0.0000 C   0  0
    3.9042    0.7419    0.0000 C   0  0
    5.2058    1.4875    0.0000 C   0  0
    6.5023    0.7331    0.0000 C   0  0
    6.4972   -0.7669    0.0000 C   0  0
    5.1956   -1.5125    0.0000 C   0  0
    7.7929   -1.5244    0.0000 O   0  0
    7.7856   -3.0244    0.0000 C   0  0
    5.2140    2.9883    0.0000 O   0  0
    6.5167    3.7321    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 10  1  0
 15 16  1  0
 16 17  2  0
 17  8  1  0
 12 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 18  1  0
 20 23  1  0
  7 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 28 30  1  0
 30 31  1  0
 26 32  1  0
 32 33  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13951

> <plate>
PLATE 004

> <well>
A11

> <supplier_cmpd_name>
Erdafitinib

> <ctcr_id>
12544

> <supplier_cmpd_id>
T3726

> <smiles>
CC(C)NCCN(c1cc2nc(cnc2cc1)c1cn(nc1)C)c1cc(cc(c1)OC)OC

> <pd_targets>
{FGFR3,FGFR1,KDR,FGFR4,FGFR2,RET,CSF1R,PDGFRA,PDGFRB,KIT}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type IV RTKs: VEGF (vascular
 endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Gene expression (Transcription)","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","RNA Polyme
rase II Transcription","Intracellular signaling by second messengers","Signaling by FGFR in disease","Signaling by VEGF","Signaling by FGFR","Generic Transcription Pathway","Signaling by PDGFR in dise
ase","PIP3 activates AKT signaling","Signaling by KIT in disease","Signaling by FGFR3 in disease","Signaling by FGFR1 in disease","VEGFA-VEGFR2 Pathway","Signaling by FGFR4","Signaling by FGFR2 in dis
ease","Transcriptional Regulation by VENTX","Drug resistance of PDGFR mutants","Negative regulation of the PI3K/AKT network","Drug resistance of KIT mutants","Signaling by FGFR3 point mutants in cance
r","FGFR1 mutant receptor activation","VEGFR2 mediated cell proliferation","Downstream signaling of activated FGFR4","FGFR2 mutant receptor activation","Imatinib-resistant PDGFR mutants",PI5P,"PP2A an
d IER3 Regulate PI3K/AKT Signaling","Dasatinib-resistant KIT mutants","FGFR3 mutant receptor activation","Signaling by activated point mutants of FGFR1","FRS-mediated FGFR4 signaling","Activated point
 mutants of FGFR2","Signaling by activated point mutants of FGFR3"}

> <broad_targets>
{FGFR1,FGFR2,FGFR3,FGFR4}

> <broad_moa>
{"FGFR inhibitor"}

> <synonyms>
{Erdafitinib,1346242-81-6,1346242816,JNJ-42756493,JNJ42756493,Balversa,UNII-890E37NHMV,UNII890E37NHMV,890E37NHMV,"Erdafitinib (USAN:INN)","Balversa (TN)","Erdafitinib (USAN/INN)",GTPL9039,SCHEMBL25837
60,CHEMBL3545376,"Erdafitinib; JNJ-42756493","Erdafitinib; JNJ42756493","JNJ-42756493 (Erdafitini","JNJ42756493 (Erdafitini",T3726}

> <pdid>
PD049144

> <targets>
{FGFR,FGFR1,FGFR2,FGFR3,FGFR4,Apoptosis}

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

> <pubchem_cids>
{67462786}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 38 44  0  0  0  0            999 V2000
    5.9821    0.3199    0.0000 N   0  0
    6.2343   -1.1588    0.0000 C   0  0
    7.5748   -1.8319    0.0000 N   0  0
    7.3489   -3.3148    0.0000 C   0  0
    8.4123   -4.3702    0.0000 N   0  0
    8.0303   -5.8216    0.0000 C   0  0
    9.0935   -6.8797    0.0000 C   0  0
    8.7088   -8.3296    0.0000 C   0  0
    7.2599   -8.7222    0.0000 C   0  0
    7.0956  -10.2131    0.0000 C   0  0
    5.8274  -11.0143    0.0000 C   0  0
    4.4104  -10.5223    0.0000 C   0  0
    3.9116   -9.1076    0.0000 C   0  0
    4.7066   -7.8356    0.0000 C   0  0
    6.1967   -7.6641    0.0000 C   0  0
    6.5823   -6.2134    0.0000 C   0  0
    3.3518  -11.5860    0.0000 N   0  0
    3.6830  -13.0397    0.0000 C   0  0
    2.3865  -13.7940    0.0000 C   0  0
    1.2684  -12.7940    0.0000 C   0  0
    1.8740  -11.4217    0.0000 C   0  0
    5.8687   -3.5582    0.0000 N   0  0
    5.2015   -2.2290    0.0000 N   0  0
    3.7175   -2.0053    0.0000 C   0  0
    3.1695   -0.6090    0.0000 C   0  0
    1.6852   -0.3846    0.0000 C   0  0
    1.3514    1.0778    0.0000 C   0  0
    0.0000    1.7286    0.0000 C   0  0
   -1.3515    1.0777    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -3.1695   -0.6090    0.0000 C   0  0
   -3.7175   -2.0053    0.0000 C   0  0
   -2.7822   -3.1781    0.0000 C   0  0
   -1.2990   -2.9545    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
    0.7500   -1.5574    0.0000 C   0  0
    1.2990   -2.9545    0.0000 N   0  0
    2.7822   -3.1780    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15  9  1  0
 15 16  2  0
 16  6  1  0
 12 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 17  1  0
  4 22  2  0
 22 23  1  0
 23  2  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
 35 36  1  0
 36 26  2  0
 36 37  1  0
 37 38  2  0
 38 24  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13952

> <plate>
PLATE 004

> <well>
B2

> <supplier_cmpd_name>
Bemcentinib

> <ctcr_id>
7661

> <supplier_cmpd_id>
T6269

> <smiles>
Nc1nc(Nc2ccc3CCC(CCc3c2)N4CCCC4)nn1c5cc6CCCc7ccccc7c6nn5

> <pd_targets>
{AXL,FLT3,EGFR,ALK,SRC,RET,KIT,TYRO3,MERTK,AURKA,MET,AURKB,DDR1,KDR,PDGFRA}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","Other protein kinase group","Tyrosine protein kinase Axl family","Tyrosine protein kinase PDGFR family","Tyrosine 
protein kinase EGFR family","TKL protein kinase STKR family","Tyrosine protein kinase Src family","Tyrosine protein kinase Ret family","Other protein kinase AUR family","Tyrosine protein kinase Met fa
mily","Tyrosine protein kinase DDR family","Tyrosine protein kinase VEGFR family","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Other protein kinases","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Aurora kinase (Aur) family
","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type XIX RTKs: Le
ukocyte tyrosine kinase (LTK) receptor family","Src family","Type XIV RTKs: RET","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XVI RTKs: DDR (collagen receptor) family","Type IV 
RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology",Disease,Hemostasis,"Gene expression (Transcription)","Cell Cycle","Extracellular matrix organization","Signaling by Receptor Tyrosine Kinases","Signaling
 by GPCR","Nervous system development","Diseases of signal transduction by growth factor receptors and second messengers","Cell surface interactions at the vascular wall","RNA Polymerase II Transcript
ion",Mitotic,"Non-integrin membrane-ECM interactions","Signaling by VEGF","Signaling by Insulin receptor","GPCR downstream signalling","Signaling by NTRKs","Axon guidance","Signaling by KIT in disease
","Generic Transcription Pathway","M Phase","Signaling by PDGFR in disease","VEGFA-VEGFR2 Pathway","Insulin receptor signalling cascade","G alpha (q) signalling events","Signaling by NTRK1 (TRKA)","RE
T signaling","Drug resistance of KIT mutants","Transcriptional Regulation by TP53","Semaphorin interactions","Mitotic Metaphase and Anaphase","Drug resistance of PDGFR mutants","IRS-mediated signallin
g","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","Dasatinib-resistant KIT mutants","Regulation of TP53 Activity","Sema4D in semaphorin signaling","Mitotic Anaphase","VEGFR2 m
ediated cell proliferation","Imatinib-resistant PDGFR mutants","PI3K Cascade","EGFR Transactivation by Gastrin","Signalling to RAS","Regulation of TP53 Activity through Phosphorylation","Sema4D mediat
ed inhibition of cell attachment and migration","Separation of Sister Chromatids","p38MAPK events"}

> <broad_targets>
{AXL}

> <broad_moa>
{"AXL kinase inhibitor"}

> <synonyms>
{BCP21180,C30H34N8,Bemcentinib,R428,1037624-75-1,1037624751,BGB324,R-428,BGB-324,UNII-0ICW2LX8AS,UNII0ICW2LX8AS,0ICW2LX8AS,CHEMBL3809489,SYN1131,CS-1046,CS1046,HY-15150,HY15150,QC-11751,QC11751,"R 428
",W-5845,W5845,"Bemcentinib (USAN)","R428 (BGB324)","Bemcentinib (USAN/INN)",BemcentinibR428BGB,T6269,S2841,SY-R428}

> <pdid>
PD003525

> <targets>
{Axl,"TAM Receptor"}

> <classes>
{Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{46215462}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 39 43  0  0  0  0            999 V2000
    5.1932   -3.0130    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
   -0.0125   -5.9981    0.0000 N   0  0
   -0.0156   -7.4989    0.0000 C   0  0
    1.2822   -8.2511    0.0000 O   0  0
   -1.3164   -8.2475    0.0000 N   0  0
   -1.3194   -9.7483    0.0000 C   0  0
   -2.6184  -10.4984    0.0000 C   0  0
   -2.6184  -11.9984    0.0000 C   0  0
   -1.3194  -12.7484    0.0000 C   0  0
   -0.0203  -11.9984    0.0000 C   0  0
   -0.0203  -10.4984    0.0000 C   0  0
    1.2794  -12.7488    0.0000 C   0  0
    1.2804  -14.2488    0.0000 F   0  0
    2.5782  -11.9984    0.0000 F   0  0
    2.5788  -13.4982    0.0000 F   0  0
   -3.9175   -9.7485    0.0000 F   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.4133    1.7530    0.0000 C   0  0
   -3.8794    1.4442    0.0000 C   0  0
   -4.8823    2.5608    0.0000 C   0  0
   -6.3600    2.3926    0.0000 C   0  0
   -6.9656    3.7649    0.0000 C   0  0
   -5.8476    4.7650    0.0000 C   0  0
   -4.5510    4.0107    0.0000 N   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.5532    4.4223    0.0000 O   0  0
   -0.3115    2.9665    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 16 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
 13 22  1  0
  3 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
 27 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 32  1  0
 30 37  1  0
 37 38  2  0
 37 39  1  0
 39 26  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13953

> <plate>
PLATE 004

> <well>
B3

> <supplier_cmpd_name>
GNF-5837

> <ctcr_id>
12420

> <supplier_cmpd_id>
T6097

> <smiles>
Cc1c(cc(cc1)NC(=O)Nc1c(ccc(c1)C(F)(F)F)F)Nc1cc2c(cc1)/C(=C/c1ccc[nH]1)/C(=O)N2

> <pd_targets>
{NTRK3,NTRK1,FGFR4,NTRK2,EPHB2,LYN,BMX,KIT,INSR,CSF1R,FLT1,FGR,ZAP70,SRC,RET,PDGFRB,FGFR3,ALK,TIE1,FLT3,MET,MAPK9,IGF1R,MST1R,EPHA3,ROS1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","CMGC protein kinase group","Tyrosine protein kinase Trk family","Tyrosine protein kinase FGFR family","Tyrosine pr
otein kinase Eph family","Tyrosine protein kinase Src family","Tyrosine protein kinase Tec family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase InsR family","Tyrosine protein kinase
 VEGFR family","Tyrosine protein kinase Syk family","Tyrosine protein kinase Ret family","TKL protein kinase STKR family","Tyrosine protein kinase Tie family","Tyrosine protein kinase Met family","CMG
C protein kinase MAPK family","Tyrosine protein kinase Sev family","TKL protein kinase STKR Type 1 subfamily","CMGC protein kinase JNK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases
)","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","JNK subfamily","Type VII RTKs: Neurotrophin receptor/Trk family","Type V RTKs: FGF (fibroblast growth factor) receptor fa
mily","Type XIII RTKs: Ephrin receptor family","Src family","Tec family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type II RTKs: Insulin receptor family","Type IV RTKs: VEGF (vascular en
dothelial growth factor) receptor family","Syk family","Type XIV RTKs: RET","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Type
 X RTKs: HGF (hepatocyte growth factor) receptor family","Type XVII RTKs: ROS receptors"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology",Disease,Metabolism,"Gene expression (Transcription)","Immune System","Signaling by Receptor Tyrosine Kinases","Nervous system development","Infectious di
sease","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second messengers","Intracellular signaling by second messengers","RNA Polymerase II Transcription","Adapt
ive Immune System","Innate Immune System","Signaling by NTRKs","Signaling by FGFR","Axon guidance","Leishmania infection","Phospholipid metabolism","Signaling by KIT in disease","PIP3 activates AKT si
gnaling","Generic Transcription Pathway","Signaling by VEGF","TCR signaling","Signaling by FGFR in disease","Signaling by Insulin receptor","Toll-like Receptor Cascades","Signaling by Type 1 Insulin-l
ike Growth Factor 1 Receptor (IGF1R)","Signaling by MST1","Signaling by NTRK3 (TRKC)","Signaling by NTRK1 (TRKA)","Signaling by FGFR4","EPH-Ephrin signaling","Leishmania parasite growth and survival",
"PI Metabolism","Drug resistance of KIT mutants","Negative regulation of the PI3K/AKT network","Transcriptional Regulation by VENTX","VEGF ligand-receptor interactions","Generation of second messenger
 molecules","RET signaling","Signaling by FGFR3 in disease","Insulin receptor signalling cascade","Semaphorin interactions","Toll Like Receptor 5 (TLR5) Cascade","IGF1R signaling cascade","Activated N
TRK3 signals through PI3K","Signalling to ERKs","Downstream signaling of activated FGFR4","Activation of TRKA receptors","EPHB-mediated forward signaling","Anti-inflammatory response favouring Leishma
nia parasite infection","Synthesis of PIPs at the plasma membrane","Dasatinib-resistant KIT mutants",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","VEGF binds to VEGFR leading to receptor dimerizat
ion","Signaling by FGFR3 point mutants in cancer","IRS-mediated signalling","Sema4D in semaphorin signaling","MyD88 cascade initiated on plasma membrane","IRS-related events triggered by IGF1R","EPHA-
mediated growth cone collapse","Prolonged ERK activation events","FRS-mediated FGFR4 signaling","NGF-independant TRKA activation","FCGR3A-mediated IL10 synthesis","Signalling to RAS","FGFR3 mutant rec
eptor activation","PI3K Cascade","Sema4D mediated inhibition of cell attachment and migration","MAP kinase activation","ARMS-mediated activation","p38MAPK events","Signaling by activated point mutants
 of FGFR3","MAPK targets/ Nuclear events mediated by MAP kinases","Activation of the AP-1 family of transcription factors"}

> <broad_targets>
{NTRK1,NTRK2,NTRK3}

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

> <synonyms>
{NF583,GNF-5837,GNF5837,1033769-28-6,1033769286,"GNF 5837",CHEMBL2037226,C28H21F4N5O2,GTPL8071,SCHEMBL3610213,AOB4949,EX-A271,EXA271,SYN1183,HMS3886B17,2435AH,BDBM50384727,MFCD24386809,s7519,ZINC84706
784,AKOS024458224,CCG-269941,CCG269941,CS-1728,CS1728,NCGC00346936-09,NCGC0034693609,AC-32993,AC32993,AS-16319,AS16319,T6097}

> <pdid>
PD012859

> <targets>
{"Trk receptor",Kit,PDGFR¦Â,TrkA,TrkB,TrkC}

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

> <pubchem_cids>
{59397065}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 43 46  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
   -2.5998    3.0004    0.0000 O   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   19.3737    7.5118    0.0000 F   0  0
   19.3788    6.0118    0.0000 C   0  0
   20.6804    5.2663    0.0000 C   0  0
   20.6856    3.7663    0.0000 C   0  0
   19.3891    3.0119    0.0000 C   0  0
   18.0875    3.7573    0.0000 C   0  0
   16.7888    3.0051    0.0000 C   0  0
   15.4875    3.7529    0.0000 O   0  0
   14.1888    3.0006    0.0000 C   0  0
   14.1940    1.5006    0.0000 C   0  0
   12.8975    0.7461    0.0000 C   0  0
   11.5958    1.4916    0.0000 C   0  0
   10.2972    0.7393    0.0000 N   0  0
    8.9958    1.4870    0.0000 C   0  0
    8.9958    2.9870    0.0000 N   0  0
    7.6968    3.7370    0.0000 C   0  0
    6.3978    2.9870    0.0000 N   0  0
    6.3978    1.4870    0.0000 C   0  0
    5.0987    0.7370    0.0000 C   0  0
    5.0987   -0.7630    0.0000 C   0  0
    6.3978   -1.5130    0.0000 C   0  0
    6.4009   -3.0138    0.0000 N   0  0
    7.7017   -3.7624    0.0000 C   0  0
    8.9994   -3.0101    0.0000 O   0  0
    7.7048   -5.2632    0.0000 C   0  0
    9.0049   -6.0113    0.0000 C   0  0
    7.6968   -0.7630    0.0000 C   0  0
    7.6968    0.7370    0.0000 C   0  0
   11.5907    2.9916    0.0000 C   0  0
   12.8871    3.7461    0.0000 C   0  0
   12.8820    5.2461    0.0000 Cl  0  0
   18.0824    5.2574    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  8 10  2  0
  8 11  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  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  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  2  0
 32 38  1  0
 38 39  2  0
 39 25  1  0
 39 29  1  0
 23 40  1  0
 40 41  2  0
 41 20  1  0
 41 42  1  0
 17 43  2  0
 43 13  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13954

> <plate>
PLATE 004

> <well>
B4

> <supplier_cmpd_name>
AST-1306 TsOH

> <ctcr_id>
3479

> <supplier_cmpd_id>
T6331

> <smiles>
Cc1ccc(cc1)S(=O)(=O)O.Fc2cccc(COc3ccc(Nc4ncnc5ccc(NC(=O)C=C)cc45)cc3Cl)c2

> <pd_targets>
{ERBB2,ERBB4,EGFR}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

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

> <broad_targets>
{EGFR,ERBB2}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{1050500-29-2,1050500292,"Allitinib tosylate","AST-1306 TsOH","AST1306 TsOH",AST-6,AST6,"AST-1306 (TsOH)","AST1306 (TsOH)","AST 1306 tosylate",cc-284,cc284,MLS006011282,SCHEMBL230864,AST-6/,AST6/,DTXS
ID30648510,HMS3655D08,HMS3672E13,BCP02099,EX-A2292,EXA2292,ABP000605,s2185,AKOS027288723,CCG-270255,CCG270255,CS-,CS,T6331,S2185,AST-1306}

> <pdid>
PD038945

> <targets>
{EGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{25027665}

$$$$
TargetMol_L2200_Tyrosine kinase 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_L2200_Tyrosine kinase inhibitor library

> <id>
13955

> <plate>
PLATE 004

> <well>
B5

> <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_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 36 41  0  0  0  0            999 V2000
    6.4971   -0.7566    0.0000 F   0  0
    5.1969   -1.5045    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 C   0  0
    3.8919   -5.2525    0.0000 F   0  0
    5.1945   -3.0045    0.0000 C   0  0
    6.4946   -3.7543    0.0000 C   0  0
    7.7945   -3.0041    0.0000 N   0  0
    9.0950   -3.7516    0.0000 C   0  0
   10.3927   -2.9992    0.0000 C   0  0
   10.3899   -1.4992    0.0000 O   0  0
    9.0894   -0.7517    0.0000 C   0  0
    7.7918   -1.5041    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 N   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.2990   -5.2508    0.0000 C   0  0
   -2.5112   -6.1125    0.0000 C   0  0
   -2.0454   -7.5384    0.0000 N   0  0
   -0.5454   -7.5360    0.0000 N   0  0
   -0.0841   -6.1087    0.0000 C   0  0
    0.3387   -8.7487    0.0000 C   0  0
   -0.1635  -10.1569    0.0000 C   0  0
    0.8088  -11.2991    0.0000 C   0  0
    2.2841  -11.0281    0.0000 N   0  0
    2.7871   -9.6150    0.0000 C   0  0
    1.8148   -8.4728    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 10  1  0
  4 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 16  1  0
 25 20  1  0
 23 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  1  0
 30 26  2  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 31  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13956

> <plate>
PLATE 004

> <well>
B6

> <supplier_cmpd_name>
NVP-BSK805

> <ctcr_id>
8280

> <supplier_cmpd_id>
T5049

> <smiles>
Fc1cc(cc(F)c1CN2CCOCC2)c3cccc4ncc(nc34)c5cnn(c5)C6CCNCC6

> <pd_targets>
{JAK3,JAK1,JAK2,TYK2,ABL1}

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

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

> <pathway_reactome>
{"Immune System","Cell Cycle",Disease,"Cytokine Signaling in Immune system",Mitotic,"Infectious disease","Signaling by Interleukins","Interferon Signaling","Mitotic G1 phase and G1/S transition","Leis
hmania infection","Interleukin-2 family signaling","Antiviral mechanism by IFN-stimulated genes","G1 Phase","Interferon alpha/beta signaling","Parasite infection","Interleukin-15 signaling","ISG15 ant
iviral mechanism","Cyclin D associated events in G1","Regulation of IFNA signaling","Leishmania phagocytosis","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{VPBSK80,NVP-BSK805,NVPBSK805,1092499-93-8,1092499938,CHEMBL1092926,"BSK 805",DQX,"NVP-BSK 805 HCl","NVPBSK 805 HCl",C27H30Cl2F2N6O,"NVP-BSK 805","NVPBSK 805",SCHEMBL2800994,EX-A286,EXA286,BCP29570,BD
BM50315231,MFCD22419018,ZINC49070412,CS-1629,CS1629,NCGC00263202-01,NCGC0026320201,NCGC00263202-08,NCGC0026320208,AC-28460,AC28460,AK473881,HY-14722,HY14722,X7514,Q,T5049,T6294,HY-14722,"NVP-BSK805 2H
Cl (1092499-93-8(free base))",NVP-BSK805,"NVP BSK 805"}

> <pdid>
PD003577

> <targets>
{JAK}

> <classes>
{}

> <pubchem_cids>
{46398810}

$$$$
TargetMol_L2200_Tyrosine kinase 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
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 N   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -6.4995    3.7432    0.0000 N   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -9.0982    3.7435    0.0000 C   0  0
  -10.3985    2.9956    0.0000 C   0  0
  -11.6964    3.7476    0.0000 C   0  0
  -11.6941    5.2476    0.0000 C   0  0
  -10.3939    5.9956    0.0000 C   0  0
  -10.3884    7.4964    0.0000 C   0  0
   -9.0864    8.2430    0.0000 N   0  0
   -7.7911    7.4865    0.0000 N   0  0
   -6.4883    8.2300    0.0000 C   0  0
   -6.4808    9.7299    0.0000 C   0  0
   -7.7760   10.4864    0.0000 C   0  0
   -9.0788    9.7430    0.0000 C   0  0
  -10.3741   10.4995    0.0000 O   0  0
   -5.1924    7.4731    0.0000 C   0  0
   -5.1974    5.9730    0.0000 C   0  0
   -3.9010    5.2186    0.0000 C   0  0
   -2.5994    5.9641    0.0000 C   0  0
   -2.5942    7.4641    0.0000 C   0  0
   -3.8907    8.2186    0.0000 C   0  0
   -1.2919    8.2101    0.0000 C   0  0
    0.0097    8.9556    0.0000 N   0  0
   -9.0960    5.2436    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  2  3
 24 25  1  0
 25 20  1  0
 25 26  2  0
 22 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 31 33  1  0
 33 34  3  0
 18 35  2  0
 35 14  1  0
  5 36  1  0
 36 37  1  0
 37  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13957

> <plate>
PLATE 004

> <well>
B7

> <supplier_cmpd_name>
Tepotinib

> <ctcr_id>
5094

> <supplier_cmpd_id>
T6121

> <smiles>
CN1CCC(COc2cnc(nc2)c3cccc(CN4N=C(C=CC4=O)c5cccc(c5)C#N)c3)CC1

> <pd_targets>
{MET}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology","Nervous system development","Axon guidance","Semaphorin interactions","Sema4D in semaphorin signaling","Sema4D mediated inhibition of cell attachment and migration"}

> <broad_targets>
{MET}

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

> <synonyms>
{Tepotinib(EMD-1214063),Tepotinib(EMD1214063),CHEMBL3402762,Tepotinib,1100598-32-0,1100598320,EMD-1214063,EMD1214063,"EMD 1214063",UNII-1IJV77EI07,UNII1IJV77EI07,MSC2156119,"Tepotinib (EMD 1214063)",M
SC2156119J,1IJV77EI07,MSC-2156119J,MSC-2156119,C29H28N6O2,"Tepotinib (INN)",Tepmetko,Tepo,T6121,S7067}

> <pdid>
PD012734

> <targets>
{c-Met}

> <classes>
{}

> <pubchem_cids>
{25171648}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0031    3.0008    0.0000 C   0  0
    1.3039    3.7494    0.0000 C   0  0
    1.3092    5.2494    0.0000 C   0  0
    2.6108    5.9949    0.0000 N   0  0
    3.9072    5.2405    0.0000 C   0  0
    3.9020    3.7405    0.0000 C   0  0
    2.6004    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 N   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    2.5951   -3.0031    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  3 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 13 21  1  0
 21  1  1  0
  1 22  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13958

> <plate>
PLATE 004

> <well>
B8

> <supplier_cmpd_name>
MCB-613

> <ctcr_id>
12352

> <supplier_cmpd_id>
T6886

> <smiles>
C1(C/C(=C\c2cnccc2)/C(=O)/C(=C/c2cnccc2)/C1)CC

> <pd_targets>
{MAPT,ALDH1A1,LMNA,HTT,FFP,TGR,HSP90AA1,RORC}

> <pathway_gtopdb>
{"Other cytosolic protein",Enzyme,"Other nuclear protein","Unclassified protein","Transcription factor",Oxidoreductase,Transferase,"Nuclear receptor","Nuclear hormone receptor subfamily 1","Nuclear ho
rmone receptor subfamily 1 group F","Nuclear hormone receptor subfamily 1 group F member 3"}

> <pathway_chembl>
{"Other protein targets",Receptors,"Heat shock proteins","Nuclear hormone receptors","1F. Retinoic acid-related orphans"}

> <pathway_reactome>
{"Neuronal System",Metabolism,"Cell Cycle","Gene expression (Transcription)","Transmission across Chemical Synapses","Biological oxidations",Mitotic,"RNA Polymerase II Transcription","Neurotransmitter
 receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","M Phase","Generic Transcription Pathway","Mitotic G2-G2/M phases","Activation of NMDA receptors and postsyn
aptic events","Ethanol oxidation","Mitotic Metaphase and Anaphase","Transcriptional Regulation by MECP2","G2/M Transition","Transcriptional regulation by RUNX3","Post NMDA receptor activation events",
"Mitotic Anaphase","Regulation of MECP2 expression and activity","Centrosome maturation","RUNX3 Regulates Immune Response and Cell Migration","Activation of AMPK downstream of NMDARs","Nuclear Envelop
e (NE) Reassembly","Loss of proteins required for interphase microtubule organization from the centrosome","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CB61,MCB-613,MCB613,1162656-22-5,1162656225,"(2E,6E)-4-ethyl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one","(2E,6E)4ethyl2,6bis(pyridin3ylmethylidene)cyclohexan1one","(2E,6E)-4-ethyl-2,6-bis(3-py
ridylmethylene)cyclohexan-1-one","(2E,6E)4ethyl2,6bis(3pyridylmethylene)cyclohexan1one","(2E,6E)-4-ethyl-2,6-bis((pyridin-3-yl)methylidene)cyclohexan-1-one","(2E,6E)4ethyl2,6bis((pyridin3yl)methyliden
e)cyclohexan1one",Cyclohexanone,4-ethyl-2,4ethyl2,6-,6,T6886}

> <pdid>
PD017405

> <targets>
{Src}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{2175947}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 O   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 C   0  0
   -6.4952    0.7500    0.0000 C   0  0
   -6.4952   -0.7500    0.0000 C   0  0
   -5.1961   -1.5000    0.0000 C   0  0
   -5.1992   -3.0009    0.0000 C   0  0
   -6.5000   -3.7494    0.0000 C   0  0
   -7.7978   -2.9972    0.0000 O   0  0
   -6.5031   -5.2494    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 14 16  2  0
 12 17  2  0
 17  8  1  0
 17 18  1  0
 18 19  1  0
 19  5  1  0
 19 20  2  0
 20  2  1  0
 20 21  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13959

> <plate>
PLATE 004

> <well>
B9

> <supplier_cmpd_name>
DMXAA

> <ctcr_id>
2799

> <supplier_cmpd_id>
T6273

> <smiles>
Cc1ccc2C(=O)c3cccc(CC(O)=O)c3Oc2c1C

> <pd_targets>
{STING1,GLA}

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

> <pathway_chembl>
{"Other protein targets","Non-catalytic pattern recognition receptors","Other pattern recognition receptors"}

> <pathway_reactome>
{"Immune System",Metabolism,"Innate Immune System","Metabolism of lipids","Cytosolic sensors of pathogen-associated DNA","Sphingolipid metabolism","STING mediated induction of host immune responses","
Glycosphingolipid metabolism","IRF3-mediated induction of type I IFN"}

> <broad_targets>
{}

> <broad_moa>
{"angiogenesis inhibitor"}

> <synonyms>
{DMXAA,Vadimezan,117570-53-3,117570533,"5,6-Mexaa","5,6Mexaa","5,6-Dimethylxantheonone-4-acetic Acid","5,6Dimethylxantheonone4acetic Acid","2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid","2(5,6dim
ethyl9oxo9Hxanthen4yl)acetic acid","DMXAA (Vadimezan)","5,6-Dimethylxanthenone-4-acetic acid","5,6Dimethylxanthenone4acetic acid",AS-1404,AS1404,ASA-404,ASA404,"Dimethyloxoxanthene acetic acid",N,T627
3,S1537,"DMXAA (ASA404)"}

> <pdid>
PD010981

> <targets>
{VDA,IFNAR,Influenza Virus,STING}

> <classes>
{Angiogenesis,Anti-infection,Immunology/Inflammation}

> <pubchem_cids>
{123964}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 41 46  0  0  0  0            999 V2000
    9.0707    5.2796    0.0000 C   0  0
    7.7691    6.0251    0.0000 O   0  0
    9.0758    3.7795    0.0000 C   0  0
   10.3776    3.0341    0.0000 C   0  0
   11.6740    3.7886    0.0000 C   0  0
   11.6688    5.2886    0.0000 C   0  0
   10.3671    6.0341    0.0000 N   0  0
   10.3619    7.5348    0.0000 C   0  0
   11.6571    8.2915    0.0000 C   0  0
   11.6495    9.7915    0.0000 C   0  0
   10.3467   10.5349    0.0000 C   0  0
    9.0515    9.7783    0.0000 C   0  0
    9.0591    8.2783    0.0000 C   0  0
   10.3391   12.0349    0.0000 F   0  0
   12.9652    6.0431    0.0000 C   0  0
    7.7802    3.0220    0.0000 C   0  0
    6.4773    3.7652    0.0000 O   0  0
    7.7876    1.5211    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
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 C   0  0
   -1.8032    3.1233    0.0000 N   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2122   -3.8625    0.0000 C   0  0
   -0.7464   -5.2884    0.0000 N   0  0
    0.7536   -5.2860    0.0000 N   0  0
    1.2149   -3.8587    0.0000 C   0  0
   -3.8805    1.4409    0.0000 C   0  0
    5.2059   -2.9909    0.0000 F   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  1  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
  6 15  1  0
  3 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 22 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 32 28  2  0
 32 33  1  0
 33 34  2  0
 34 26  1  0
 34 35  1  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  1  0
 39 35  2  0
 31 40  1  0
 21 41  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13960

> <plate>
PLATE 004

> <well>
B10

> <supplier_cmpd_name>
Merestinib

> <ctcr_id>
12603

> <supplier_cmpd_id>
T3455

> <smiles>
c1(=O)c(ccc(n1c1ccc(cc1)F)C)C(=O)Nc1cc(c(cc1)Oc1cc2cnn(c2cc1c1cn[nH]c1)C)F

> <pd_targets>
{DDR1,MST1R,MKNK1,AXL,MET,MERTK,FLT3,TEK,TIE1,MKNK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","CAMK protein kinase group","Tyrosine protein kinase DDR family","Tyrosine protein kinase Met family","CAMK protein kinase MAPKAPK family","Ty
rosine protein kinase Axl family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Tie family","CAMK protein kinase MNK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","TK: Tyrosine kinase","MAPK-Activated Protein Kinase (MAPKAPK) f
amily","Receptor tyrosine kinases (RTKs)","MKN subfamily","Type XVI RTKs: DDR (collagen receptor) family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XI RTKs: TAM (TYRO3-","AXL
- and MER-TK) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XII RTKs: TIE family of angiopoietin receptors"}

> <pathway_reactome>
{"Extracellular matrix organization","Signal Transduction","Developmental Biology",Hemostasis,"Non-integrin membrane-ECM interactions","Signaling by Receptor Tyrosine Kinases","Nervous system developm
ent","Cell surface interactions at the vascular wall","MAPK family signaling cascades","Signaling by MST1","Signaling by FGFR","Signaling by VEGF","Axon guidance","Signaling by Insulin receptor","MAPK
1/MAPK3 signaling","Signaling by FGFR4","VEGFA-VEGFR2 Pathway","Semaphorin interactions","Insulin receptor signalling cascade","RAF/MAP kinase cascade","Negative regulation of FGFR4 signaling","Sema4D
 in semaphorin signaling","IRS-mediated signalling","Spry regulation of FGF signaling","Sema4D mediated inhibition of cell attachment and migration","PI3K Cascade"}

> <broad_targets>
{MET}

> <broad_moa>
{"MET inhibitor"}

> <synonyms>
{Merestinib,LY2801653,1206799-15-6,1206799156,LY-2801653,UNII-5OGS5K699E,UNII5OGS5K699E,"Merestinib (LY2801653)",5OGS5K699E,"1206799-15-6 (free base)","1206799156 (free base)",C30H22F2N6O3,"Merestinib
 (USAN)",L1X,"Merestinib (USAN/INN)",SCHEMBL679002,"LY2801653 (Merestinib)",GTPL9841,CHEMBL35453,T3455}

> <pdid>
PD071468

> <targets>
{c-Met,Met,c-Met/HGFR,"Discoidin Domain Receptor",FLT3,ROS}

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

> <pubchem_cids>
{44603533}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
    3.9068   -0.7607    0.0000 C   0  0
    2.6046   -1.5052    0.0000 O   0  0
    2.5973   -3.0060    0.0000 C   0  0
    3.8942   -3.7597    0.0000 C   0  0
    3.8899   -5.2597    0.0000 C   0  0
    2.5887   -6.0060    0.0000 C   0  0
    1.2918   -5.2523    0.0000 C   0  0
    1.2961   -3.7523    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 N   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -5.2089   -5.9859    0.0000 Cl  0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -5.1977   -2.9829    0.0000 O   0  0
   -5.1903   -1.4821    0.0000 C   0  0
   -6.4841   -0.7230    0.0000 C   0  0
   -6.4738    0.7769    0.0000 C   0  0
   -5.1696    1.5179    0.0000 C   0  0
   -3.8758    0.7590    0.0000 C   0  0
   -2.5693    1.4977    0.0000 N   0  0
   -1.2759    0.7365    0.0000 C   0  0
   -1.2888   -0.7634    0.0000 O   0  0
    0.0306    1.4752    0.0000 C   0  0
    1.3233    0.7144    0.0000 C   0  0
   -3.8861   -0.7410    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 N   0  0
    5.1874   -6.0137    0.0000 N   0  0
    6.4899   -5.2696    0.0000 C   0  0
    7.7856   -6.0253    0.0000 C   0  0
    7.7789   -7.5253    0.0000 N   0  0
    9.0746   -8.2811    0.0000 C   0  0
    6.4766   -8.2695    0.0000 C   0  0
    5.1809   -7.5138    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 21 27  2  0
 27 17  1  0
 15 28  2  0
 28 10  1  0
  5 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 35 29  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13961

> <plate>
PLATE 004

> <well>
B11

> <supplier_cmpd_name>
WZ4002

> <ctcr_id>
1735

> <supplier_cmpd_id>
T6238

> <smiles>
COc1cc(ccc1Nc2ncc(Cl)c(Oc3cccc(NC(=O)C=C)c3)n2)N4CCN(C)CC4

> <pd_targets>
{EGFR,ALK,JAK3,ERBB2,ERBB3,ERBB4,ITK,CTSC,BTK,BLK,NUAK1,ABL1,EML4}

> <pathway_gtopdb>
{Enzyme,Kinase,Protease,"Protein Kinase","Cysteine protease","TK protein kinase group","TKL protein kinase group","Cysteine protease CA clan","CAMK protein kinase group","Tyrosine protein kinase EGFR 
family","TKL protein kinase STKR family","Tyrosine protein kinase JakA family","Tyrosine protein kinase Tec family","Cysteine protease C1A family","Tyrosine protein kinase Src family","CAMK protein ki
nase CAMK1 family","Tyrosine protein kinase Abl family","TKL protein kinase STKR Type 1 subfamily","CAMK protein kinase NuaK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Peptidases and proteinases","Kinases (EC 2.7.x.x)","Receptor kinases","CA: Cysteine (C) Peptidases","CAMK: Calcium/calmodulin-dependent protein kinases","TK: 
Tyrosine kinase","C1: Papain","CAMK-like (CAMKL) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","NuaK subfamily","Type I RTKs: ErbB (epidermal growth factor) recept
or family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Janus kinase (JakA) family","Tec family","Src family","Abl family"}

> <pathway_reactome>
{"Signal Transduction","Immune System","Metabolism of proteins",Disease,"Gene expression (Transcription)","Neuronal System","Signaling by GPCR","Cytokine Signaling in Immune system","Adaptive Immune S
ystem","Post-translational protein modification","Infectious disease","RNA Polymerase II Transcription","Transmission across Chemical Synapses","GPCR downstream signalling","Signaling by Interleukins"
,"TCR signaling","Asparagine N-linked glycosylation","Leishmania infection","Generic Transcription Pathway","Neurotransmitter receptors and postsynaptic signal transmission","G alpha (q) signalling ev
ents","Interleukin-2 family signaling","Generation of second messenger molecules","Transport to the Golgi and subsequent modification","Parasite infection","Transcriptional regulation by RUNX1","Trans
criptional Regulation by TP53","Activation of NMDA receptors and postsynaptic events","Gastrin-CREB signalling pathway via PKC and MAPK","Interleukin-15 signaling","ER to Golgi Anterograde Transport",
"Leishmania phagocytosis","RUNX1 regulates transcription of genes involved in BCR signaling","Regulation of TP53 Activity","Post NMDA receptor activation events","EGFR Transactivation by Gastrin","Car
go concentration in the ER","FCGR3A-mediated phagocytosis","Regulation of TP53 Activity through Phosphorylation","Long-term potentiation"}

> <broad_targets>
{EGFR,ERBB2}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{WZ4002,1213269-23-8,1213269238,WZ-4002,"WZ 4002",UNII-6BQ432Z61M,UNII6BQ432Z61M,CHEBI:61400,CHEMBL1229592,6BQ432Z61M,SMR001913510,SCHEMBL93699,cc-192,cc192,MLS003230945,MLS006011213,AMY370,GTPL9176,Q
CR-55,QCR55,DTXSID30153230,EX-A416,EXA416,HMS3265O15,HMS3265O16,HMS3265P15,HMS3265P16,HMS3654C,T6238,S1173}

> <pdid>
PD003346

> <targets>
{NULL,EGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{44607530}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 27 29  0  0  0  0            999 V2000
   11.7034  -12.7474    0.0000 Br  0  0
   10.4028  -12.0001    0.0000 C   0  0
    9.1053  -12.7527    0.0000 C   0  0
    7.8048  -12.0054    0.0000 C   0  0
    7.8016  -10.5053    0.0000 C   0  0
    6.5019   -9.7549    0.0000 C   0  0
    6.5009   -8.2541    0.0000 C   0  0
    5.2012   -7.5037    0.0000 C   0  0
    5.2002   -6.0029    0.0000 N   0  0
    3.9005   -5.2525    0.0000 C   0  0
    3.8995   -3.7516    0.0000 C   0  0
    2.5997   -3.0012    0.0000 N   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8976   -0.7500    0.0000 O   0  0
    3.8982   -2.2498    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 N   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    9.0992   -9.7527    0.0000 C   0  0
   10.3998  -10.5001    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  2  0
 13 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 16  1  0
 25 20  1  0
  5 26  1  0
 26 27  2  0
 27  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13962

> <plate>
PLATE 004

> <well>
C2

> <supplier_cmpd_name>
H 89 2HCl

> <ctcr_id>
17

> <supplier_cmpd_id>
T6250

> <smiles>
Brc1ccc(C=CCNCCN[S](=O)(=O)c2cccc3cnccc23)cc1

> <pd_targets>
{MYLK,PRKACA,ROCK2,AKT1,PRKACB,PRKACG,GMNN,AKT2,PRKCA,PRKCB,PRKCD,PRKCE,PRKCG,PRKCH,PRKCI,PRKCQ,PRKCZ,PRKD1,PRKD3,PRKG1,CAMK2B,CAMKK2,ALDH1A1,AKT3,PRKAR2A,PRKAR2B,CSNK1A1,CSNK1D,CSNK1E,CSNK1G1,CSNK1G2
,MYLK3,RPS6KB1,FTL,PMP22,MAPT,LMNA,MAPK1,RPS6KA5,GSK3B,CHEK2,LIMK1,CHEK1,MARK2,KDR,DAPK3,RPS6KA3,MARK3,AURKA,CDK5,PRKAA1,AURKB,ROCK1,PRKD2,STK3,SGK2,CDK1}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other cytosolic protein","Other nuclear protein",Kinase,Oxidoreductase,"Protein Kinase","CAMK protein kinase group","AGC protein kinase group","Other protein kinase gro
up","CK1 protein kinase group","CMGC protein kinase group","CAMK protein kinase MLCK family","AGC protein kinase PKA family","AGC protein kinase DMPK family","AGC protein kinase AKT family","AGC prote
in kinase PKC family","AGC protein kinase PKG family","CAMK protein kinase CAMK2 family","Other protein kinase CAMKK family","CK1 protein kinase CK1 family","AGC protein kinase RSK family","CMGC prote
in kinase MAPK family","CMGC protein kinase GSK family","AGC protein kinase ROCK subfamily","AGC protein kinase PKC alpha subfamily","Other protein kinase Meta subfamily","AGC protein kinase p70 subfa
mily","CMGC protein kinase ERK1","AGC protein kinase MSK subfamily","TKL protein kinase group","TK protein kinase group","STE protein kinase group","CAMK protein kinase RAD53 family","TKL protein kina
se LISK family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase VEGFR family","CAMK protein kinase DAPK family","Other protein kinase AUR family","CMGC protein kinase CDK family","CAMK pro
tein kinase PKD family","STE protein kinase STE20 family","AGC protein kinase SGK family","TKL protein kinase LIMK subfamily","CAMK protein kinase CHK1 subfamily","CAMK protein kinase MARK subfamily",
"AGC protein kinase PKC iota subfamily","AGC protein kinase RSK subfamily","CMGC protein kinase CDK5 subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase PKC delta subfamily","STE prote
in kinase MST subfamily","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CAMK: Calcium/calmodulin-dependent protein kinases","AGC: Containing PKA",PKG,"PKC families","Receptor kinases","CK1: Casein kinase 1",
"CMGC: Containing CDK",MAPK,GSK3,"CLK families","Myosin Light Chain Kinase (MLCK) family","Protein kinase A (PKA) family","DMPK family","Akt (Protein kinase B","PKB) family","Protein kinase G (PKG) fa
mily","CAMK2 family","Other protein kinases","RSK family","Protein kinase C (PKC) family","Casein kinase 1 (CK1) family","Mitogen-activated protein kinases (MAP kinases)","Glycogen synthase kinase (GS
K) family","Rho kinase","CAMKK family","p70 subfamily","Delta subfamily","ERK subfamily","MSK subfamily","GSK subfamily","Meta subfamily","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 ki
nases","CAMK-like (CAMKL) family","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","Death-associated kinase (DAPK) family","Cyclin-dependent kinase (CDK) family","Protein kinase D (PKD) family","STE2
0 family","SGK family","CHK1 subfamily","LIM domain kinase (LISK) family","MARK subfamily","Iota subfamily","Receptor tyrosine kinases (RTKs)","Alpha subfamily","RSK subfamily","Aurora kinase (Aur) fa
mily","CDK5 subfamily","AMPK subfamily","MST subfamily","CDK1 subfamily","LIMK subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Cell Cycle","Developmental Biology","Gene expression (Transcription)",Hemostasis,"Neuronal System",Metabolism,"Vesicle-mediated transport",Disease,"Immune System","Signaling by
 Rho GTPases",Mitotic,"Nervous system development","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Platelet homeostasis","Transmission across Chemical Synapses","Biological
 oxidations","Intracellular signaling by second messengers","MTOR signalling","Membrane Trafficking","Signaling by GPCR","Diseases of signal transduction by growth factor receptors and second messenge
rs","Innate Immune System","Infectious disease","RHO GTPase Effectors","Mitotic G2-G2/M phases","Axon guidance","Generic Transcription Pathway","Mitotic G1 phase and G1/S transition","Signaling by Ins
ulin receptor","Nitric oxide stimulates guanylate cyclase","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Functionalization of compounds","DAG and IP3 signaling","mTORC1-
mediated signalling","trans-Golgi Network Vesicle Budding","GPCR downstream signalling","Signaling by WNT in cancer","EGR2 and SOX10-mediated initiation of Schwann cell myelination","M Phase","Toll-li
ke Receptor Cascades","SARS-CoV Infections","RHO GTPases activate PAKs","G2/M Transition","Semaphorin interactions","Transcriptional Regulation by TP53","G1/S Transition","Insulin receptor signalling 
cascade","cGMP effects","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","CaM pathway","Golgi Associated Vesicle Biogenesis","G alpha (i) signalling events","Signaling by AME
R1 mutants","Mitotic Metaphase and Anaphase","Toll Like Receptor 5 (TLR5) Cascade","SARS-CoV-1 Infection","Centrosome maturation","Sema4D in semaphorin signaling","Regulation of TP53 Activity","Activa
tion of the pre-replicative complex","IRS-mediated signalling","Post NMDA receptor activation events","Calmodulin induced events","Visual phototransduction","Truncations of AMER1 destabilize the destr
uction complex","Mitotic Anaphase","MyD88 cascade initiated on plasma membrane","SARS-CoV-1 Genome Replication and Transcription","Loss of proteins required for interphase microtubule organization fro
m the centrosome","Sema4D induced cell migration and growth-cone collapse","Regulation of TP53 Expression and Degradation","PI3K Cascade","CREB1 phosphorylation through NMDA receptor-mediated activati
on of RAS signaling","Activation of AMPK downstream of NMDARs","PKA-mediated phosphorylation of CREB","The phototransduction cascade","Nuclear Envelope (NE) Reassembly","MAP kinase activation","Replic
ation of the SARS-CoV-1 genome","Loss of Nlp from mitotic centrosomes","Regulation of TP53 Degradation","PKB-mediated events","Ras activation upon Ca2+ influx through NMDA receptor","PKA activation",I
nactivation,"recovery and regulation of the phototransduction cascade","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear events mediated by MAP kinases","PDE3B signalling","ERK/
MAPK targets","CREB phosphorylation","ERKs are inactivated","DNA Repair","Programmed Cell Death","Transport of small molecules","DNA Double-Strand Break Repair","Signaling by Nuclear Receptors",Apopto
sis,"Metabolism of lipids","Signaling by Hippo","Ion channel transport","Homology Directed Repair","ESR-mediated signaling","Signaling by VEGF","Caspase activation via extrinsic apoptotic signalling p
athway","Oncogenic MAPK signaling","Sphingolipid metabolism","Stimuli-sensing channels","Regulation of mitotic cell cycle","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)"
,"Extra-nuclear estrogen signaling","VEGFA-VEGFR2 Pathway","Caspase activation via Dependence Receptors in the absence of ligand","Glutamate binding","activation of AMPA receptors and synaptic plastic
ity","Signaling by RAS mutants","Sphingolipid de novo biosynthesis","APC/C-mediated degradation of cell cycle proteins","HDR through Homologous Recombination (HRR)","Estrogen-stimulated signaling thro
ugh PRKCZ","VEGFR2 mediated cell proliferation","Trafficking of AMPA receptors","Signaling downstream of RAS mutants","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Ho
mologous DNA Pairing and Strand Exchange","Trafficking of GluR2-containing AMPA receptors","Regulation of TP53 Activity through Phosphorylation","Separation of Sister Chromatids","APC/C:Cdc20 mediated
 degradation of mitotic proteins","Presynaptic phase of homologous DNA pairing and strand exchange","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkp
oint","Cdc20:Phospho-APC/C mediated degradation of Cyclin A"}

> <broad_targets>
{GSG2,PKIA,PRKACA}

> <broad_moa>
{"PKA inhibitor"}

> <synonyms>
{8,"Protein kinase inhibitor H-89","Protein kinase inhibitor H89",CHEBI:47495,N-(2-(4-bromocinnamylamino)ethyl)isoquinoline-5-sulfonamide,N(2(4bromocinnamylamino)ethyl)isoquinoline5sulfonamide,N-(2-(3
-(4-bromophenyl)prop-2-enylamino)ethyl)isoquinoline-5-sulfonamide,N(2(3(4bromophenyl)prop2enylamino)ethyl)isoquinoline5sulfonamide,Kinome_2783,Kinome2783,Kinome-2783,"Kinome 2783",CBiol_002015,CBiol00
2015,CBiol-002015,"CBiol 002015",KBioGR_000447,KBioGR000447,KBioGR-000447,"KBioGR 000447",KBioSS_000447,KBioSS000447,KBioSS-000447,"KBioSS 000447",CHEMBL1987756,KBio2_,KBio2,KBio2-,T6250,"H 89 2HCl",H
-89}

> <pdid>
PD005269

> <targets>
{PKA}

> <classes>
{}

> <pubchem_cids>
{3541}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 30 34  0  0  0  0            999 V2000
    7.5955    2.7333    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.1020    3.4627    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    4.2568    0.5878    0.0000 C   0  0
    5.7171    0.9385    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    4.8111   -4.6641    0.0000 C   0  0
    6.3036   -4.8212    0.0000 N   0  0
    6.9148   -6.1919    0.0000 C   0  0
    6.0312   -7.4042    0.0000 C   0  0
    6.6392   -8.7754    0.0000 C   0  0
    8.1308   -8.9345    0.0000 C   0  0
    9.0143   -7.7224    0.0000 C   0  0
    8.4063   -6.3511    0.0000 C   0  0
    9.2899   -5.1390    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 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
   -0.3115    2.9665    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  8  1  0
 11 13  1  0
 13 14  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
  9 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 24  1  0
 25 29  1  0
 29 30  2  0
 30 22  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13963

> <plate>
PLATE 004

> <well>
C3

> <supplier_cmpd_name>
Vactosertib

> <ctcr_id>
12616

> <supplier_cmpd_id>
T6496

> <smiles>
Cc1cccc(n1)c1c(nc([nH]1)CNc1ccccc1F)c1cn2c(ncn2)cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{vactosertib,1352608-82-2,1352608822,EW-7197,EW7197,"EW 7197",TEW-7197,TEW7197,CHEMBL3260567,"TEW 7197",SCHEMBL250076,UNII-6T4O391P5Y,UNII6T4O391P5Y,GTPL8107,C22H18FN7,6T4O391P5Y,DTXSID401010181,HMS36
74I03,BCP18384,EX-A1738,EXA1738,NOV-1301,NOV1301,2408AH,AM9667,BDBM50015639,MFCD28348363,s7530,T6496,Vactosertib}

> <pdid>

> <targets>
{ALK1,ALK2,ALK3,ALK4,ALK5}

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

> <pubchem_cids>
{54766013}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 35 39  0  0  0  0            999 V2000
   11.6934    3.7454    0.0000 C   0  0
   10.3951    2.9942    0.0000 N   0  0
   10.3965    1.4942    0.0000 C   0  0
    9.0982    0.7430    0.0000 C   0  0
    7.7983    1.4917    0.0000 N   0  0
    7.7970    2.9918    0.0000 C   0  0
    9.0954    3.7430    0.0000 C   0  0
    6.4981    0.7422    0.0000 C   0  0
    6.4972   -0.7578    0.0000 C   0  0
    5.1976   -1.5070    0.0000 C   0  0
    3.8990   -0.7562    0.0000 C   0  0
    3.9001    0.7439    0.0000 C   0  0
    5.1996    1.4930    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5972   -1.5031    0.0000 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    0.0156   -5.9927    0.0000 N   0  0
    1.3117   -5.2360    0.0000 C   0  0
    1.3039   -3.7360    0.0000 O   0  0
    2.6156   -5.9792    0.0000 C   0  0
    3.9109   -5.2229    0.0000 C   0  0
   -2.4133    1.7530    0.0000 S   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -0.3115    2.9665    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  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
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 26 28  1  0
 28 29  1  0
 29 30  2  0
 29 31  1  0
 31 32  2  0
 18 33  1  0
 33 34  1  0
 34 35  2  0
 35 17  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13964

> <plate>
PLATE 004

> <well>
C4

> <supplier_cmpd_name>
Olmutinib

> <ctcr_id>
11544

> <supplier_cmpd_id>
T6918

> <smiles>
CN1CCN(CC1)c1ccc(cc1)Nc1nc2c(c(n1)Oc1cccc(c1)NC(=O)C=C)scc2

> <pd_targets>
{BTK,EGFR,JAK3}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Tec family","Type I RTKs: ErbB (epidermal growth f
actor) receptor family","Janus kinase (JakA) family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Infectious disease","Signaling by GPCR","Leishmania infection","GPCR downstream signalling","Parasite infection","G alpha (q) signalling events","Leishmania phagocytosi
s","Gastrin-CREB signalling pathway via PKC and MAPK","FCGR3A-mediated phagocytosis","EGFR Transactivation by Gastrin","Immune System","Cytokine Signaling in Immune system","Signaling by Interleukins"
,"Interleukin-2 family signaling","Interleukin-15 signaling"}

> <broad_targets>
{BTK,EGFR}

> <broad_moa>
{"Bruton's tyrosine kinase (BTK) inhibitor","EGFR inhibitor"}

> <synonyms>
{Olmutinib,1353550-13-6,1353550136,HM61713,"BI 1482694","Olmutinib free base",HM-61713,UNII-CHL9B67L95,UNIICHL9B67L95,CHL9B67L95,1802181-20-9,1802181209,BI-1482694,BI1482694,"1353550-13-6 (free base)"
,"1353550136 (free base)","Olmutinib (INN)","Olmutinib (WHO-DD)","Olmutinib (WHODD)",HM71224;Olmutinib,"Olmutinib (USAN/INN)","Olmutinib (",T6918}

> <pdid>
PD016974

> <targets>
{EGFR,BTK,"EGFR (cell: H1975)","EGFR (cell: HCC827)"}

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

> <pubchem_cids>
{54758501}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 20 21  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
   -3.8964   -0.7554    0.0000 C   0  0
   -3.8938   -2.2554    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 N   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
  4 19  1  0
 19 20  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13965

> <plate>
PLATE 004

> <well>
C5

> <supplier_cmpd_name>
RG 13022

> <ctcr_id>
11545

> <supplier_cmpd_id>
T3545

> <smiles>
COc1c(cc(cc1)/C=C(\C#N)/c1cnccc1)OC

> <pd_targets>
{PDGFRA,PDGFRB,EGFR,HIF1A,RECQL}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR downstream signalling","G alpha (q) signalling events","Gastrin-CREB signalling pathway via PKC and MAPK","EGFR Transactivation by Gastrin","Cellular r
esponses to external stimuli","Cellular responses to stress","Cellular response to hypoxia","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{RG-13022,RG13022,CHEMBL67027,136831-48-6,136831486,NSC666257,"(Z)-3-(3,4-Dimethoxy-phenyl)-2-pyridin-3-yl-acrylonitrile","(Z)3(3,4Dimethoxyphenyl)2pyridin3ylacrylonitrile","Tyrphostin RG13022",rg1302
2,SCHEMBL241869,SCHEMBL1959494,CHEBI:93448,"(Z)-3-(3,4-dimethoxyphenyl)-2-pyridin-3-ylprop-2-enenitrile","(Z)3(3,4dimethoxyphenyl)2pyridin3ylprop2enenitrile",BDBM50039,T3545,"RG 13022"}

> <pdid>
PD020217

> <targets>
{EGFR}

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

> <pubchem_cids>
{5468216}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 18 19  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 Cl  0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 C   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.2940   -3.7521    0.0000 C   0  0
    0.0063   -4.4998    0.0000 N   0  0
   -3.8933   -3.7570    0.0000 C   0  0
   -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 N   0  0
   -5.1925   -3.0071    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  2  0
  8  2  1  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13966

> <plate>
PLATE 004

> <well>
C6

> <supplier_cmpd_name>
RG 14620

> <ctcr_id>
5503

> <supplier_cmpd_id>
T3554

> <smiles>
Clc1cc(Cl)cc(c1)C=C(C#N)c2cccnc2

> <pd_targets>
{MAPT}

> <pathway_gtopdb>
{"Other cytosolic protein"}

> <pathway_chembl>
{}

> <pathway_reactome>
{"Neuronal System","Transmission across Chemical Synapses","Neurotransmitter receptors and postsynaptic signal transmission","Activation of NMDA receptors and postsynaptic events","Post NMDA receptor 
activation events","Activation of AMPK downstream of NMDARs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{G146,rg14620,"3-(3,5-dichlorophenyl)-2-(3-pyridinyl)-2-propenenitrile","3(3,5dichlorophenyl)2(3pyridinyl)2propenenitrile",KBioGR_000494,KBioGR000494,KBioGR-000494,"KBioGR 000494",KBioSS_000494,KBioSS
000494,KBioSS-000494,"KBioSS 000494",KBio2_000494,KBio2000494,KBio2-000494,"KBio2 000494",KBio2_003062,KBio2003062,KBio2-003062,"KBio2 003062",KBio2_005630,KBio2005630,KBio2-005630,"KBio2 005630",KBio
3_000907,KBio3000907,KBio3-000907,"KBio3 000907",KBio3_000908,KBio3000908,KBio3-000908,"KBio3 000908","3-(3,5-dichlorophenyl)-2-pyridin-3-ylprop-2-enenitrile","3(3,5dichlorophenyl)2pyridin3ylprop2enen
itrile",Bio2_000417,Bio2000417,Bio2-000417,"Bio2 000417",Bio2_000897,Bio2000897,Bio2-000897,"Bio2 000897",Q271641,T3554,EI-253,"RG 14620",RG-1462}

> <pdid>
PD020216

> <targets>
{EGFRK}

> <classes>
{}

> <pubchem_cids>
{5061}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 26 29  0  0  1  0            999 V2000
   -3.2743    1.4159    0.0000 F   0  0
   -1.8014    1.1320    0.0000 C   0  0
   -1.3109   -0.2856    0.0000 C   0  0
    0.0000   -0.7500    0.0000 C   0  0
    1.3000   -2.2500    0.0000 C   0  0  1  0  0  0
    1.0511   -3.7292    0.0000 C   0  0
    2.6000   -1.5000    0.0000 N   0  0
    3.9000   -2.2500    0.0000 C   0  0
    5.2000   -1.5000    0.0000 N   0  0
    6.5000   -2.2500    0.0000 C   0  0
    7.8000   -1.5000    0.0000 C   0  0
    8.7979   -2.7118    0.0000 C   0  0
    8.0471   -4.0104    0.0000 N   0  0
    6.4990   -3.7500    0.0000 N   0  0
    5.2000   -4.5000    0.0000 C   0  0
    3.9010   -3.7500    0.0000 C   0  0
    7.8000    0.0000    0.0000 C   0  0
    9.0989    0.7502    0.0000 O   0  0
    6.5000    0.7500    0.0000 N   0  0
    5.2000    0.0000    0.0000 C   0  0
    3.9000    0.7500    0.0000 C   0  0  1  0  0  0
    2.6000    0.0000    0.0000 O   0  0
    1.3000    0.7500    0.0000 C   0  0
    0.6538    1.9816    0.0000 C   0  0
   -0.8191    2.2655    0.0000 C   0  0
    3.9000    2.2500    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  6
  5  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 10  1  0
 14 15  1  0
 15 16  2  0
 16  8  1  0
 11 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23  4  2  0
 23 24  1  0
 24 25  2  0
 25  2  1  0
 21 26  1  1
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13967

> <plate>
PLATE 004

> <well>
C7

> <supplier_cmpd_name>
TPX-0005

> <ctcr_id>
12634

> <supplier_cmpd_id>
T4071

> <smiles>
Fc1cc2[C@@H](C)Nc3nc4c(cnn4cc3)C(=O)NC[C@@H](Oc2cc1)C

> <pd_targets>
{NTRK2,ALK,SRC,ROS1,NTRK1,NTRK3,EML4,JAK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","Tyrosine protein kinase Trk family","TKL protein kinase STKR family","Tyrosine protein kinase Src family","Tyrosin
e protein kinase Sev family","Tyrosine protein kinase JakA family","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type VII RTKs: Neurotrophin receptor/Trk family","
Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Src family","Type XVII RTKs: ROS receptors","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Signal Transduction","Cell Cycle","Signaling by Receptor Tyrosine Kinases",Mitotic,"Signaling by NTRKs","Mitotic G1 phase and G1/S transition","Signaling by NTRK1 (TRKA)","Signaling by NTRK3 (TRKC)"
,"G1 Phase","Activation of TRKA receptors","Signalling to ERKs","Activated NTRK3 signals through PI3K","Cyclin D associated events in G1","NGF-independant TRKA activation","Signalling to RAS","Prolong
ed ERK activation events","p38MAPK events","ARMS-mediated activation"}

> <broad_targets>
{}

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

> <synonyms>
{PX000,Repotrectinib,TPX-0005,TPX0005,1802220-02-5,1802220025,Ropotrectinib,08O3FQ4UNP,UNII-08O3FQ4UNP,UNII08O3FQ4UNP,TRX-0005,TRX0005,"Repotrectinib (USAN)",Repotrectinib(TPX-005),Repotrectinib(TPX00
5),CHEMBL4298138,SCHEMBL16946804,GTPL10316,"TPX 0005 (WHO-DD)","TPX 0005 (WHODD)",BDBM374727,EX-A2572,EXA2572,"US10246466, Example 93",N,T4071}

> <pdid>
PD063791

> <targets>
{Src,ALK,ROS,"Trk Receptor"}

> <classes>
{Angiogenesis,Tyrosine Kinase/Adaptors,Neuronal Signaling,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{135565923}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 35 38  0  0  1  0            999 V2000
   10.3543    1.2910    0.0000 C   0  0
    9.6042   -0.0080    0.0000 C   0  0
   10.3542   -1.3071    0.0000 N   0  0
    9.6041   -2.6061    0.0000 C   0  0
    8.1041   -2.6061    0.0000 C   0  0
    7.3541   -1.3070    0.0000 C   0  0
    8.1042   -0.0080    0.0000 C   0  0
    5.8533   -1.3039    0.0000 C   0  0
    5.1064   -0.0031    0.0000 O   0  0
    5.0993   -2.6016    0.0000 N   0  0
    3.6011   -2.5985    0.0000 C   0  0
    2.7244   -1.3814    0.0000 N   0  0
    1.2968   -1.8390    0.0000 C   0  0
    1.2906   -3.3390    0.0000 C   0  0
    2.7144   -3.8084    0.0000 N   0  0
    3.1721   -5.2376    0.0000 C   0  0  2  0  0  0
    2.1706   -6.3572    0.0000 C   0  0
    2.4076   -7.8383    0.0000 C   0  0
    3.7133   -8.5765    0.0000 C   0  0
    5.1046   -8.0159    0.0000 C   0  0
    5.5338   -6.5786    0.0000 N   0  0
    4.6776   -5.3470    0.0000 C   0  0
    7.0172   -6.3382    0.0000 C   0  0
    7.9650   -7.5008    0.0000 O   0  0
    7.5509   -4.9355    0.0000 C   0  0
    9.0324   -4.6954    0.0000 C   0  0
    9.5661   -3.2927    0.0000 C   0  0
   11.0476   -3.0525    0.0000 N   0  0
   11.5810   -1.6506    0.0000 C   0  0
   11.9954   -4.2152    0.0000 C   0  0
   -0.0116   -4.0836    0.0000 C   0  0
   -1.3075   -3.3282    0.0000 C   0  0
   -1.3013   -1.8282    0.0000 C   0  0
    0.0009   -1.0836    0.0000 C   0  0
   -0.0178   -5.5836    0.0000 Cl  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 11  1  0
 16 15  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 16  1  0
 21 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 14 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 13  1  0
 31 35  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13968

> <plate>
PLATE 004

> <well>
C8

> <supplier_cmpd_name>
Nazartinib

> <ctcr_id>
11546

> <supplier_cmpd_id>
T3506

> <smiles>
Cc1nccc(c1)C(=O)Nc1nc2c(n1[C@@H]1CCCCN(C1)C(=O)/C=C/CN(C)C)c(ccc2)Cl

> <pd_targets>
{CYP2D6,EGFR,ERBB2,ERBB3,ERBB4}

> <pathway_gtopdb>
{Enzyme,"Cytochrome P450",Kinase,"Cytochrome P450 family 2","Protein Kinase","Cytochrome P450 family 2D","TK protein kinase group","Cytochrome P450 2D6","Tyrosine protein kinase EGFR family"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","Catalytic receptors","CYP2 family: drug metabolising subset","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epide
rmal growth factor) receptor family"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Biological oxidations","Signaling by GPCR","Phase I - Functionalization of compounds","GPCR downstream signalling","Cytochrome P450 - arranged by substrate type","G 
alpha (q) signalling events",Xenobiotics,"Gastrin-CREB signalling pathway via PKC and MAPK","CYP2E1 reactions","EGFR Transactivation by Gastrin"}

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{s7824,ZINC210610738,nazartinib,EGF816,1508250-71-2,1508250712,EGF-816,UNII-KE7K32EME8,UNIIKE7K32EME8,"EGF 816",NVP-EGF816-NX,NVPEGF816NX,KE7K32EME8,CHEMBL3787344,"Nazartinib (EGF816, NVS-816)","Nazar
tinib (EGF816, NVS816)","Nazartinib (USAN)",Nazartinib(EGF816),"Nazartinib (USAN/INN)",GTPL9204,SCHEMBL16767232,S,T3506,Nazartinib}

> <pdid>
PD051464

> <targets>
{EGFR,"EGFR (mutant)"}

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

> <pubchem_cids>
{72703790}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 47 52  0  0  0  0            999 V2000
    2.5569  -12.0048    0.0000 C   0  0
    2.5644  -10.5048    0.0000 N   0  0
    3.8672   -9.7614    0.0000 C   0  0
    3.8748   -8.2614    0.0000 C   0  0
    2.5795   -7.5047    0.0000 N   0  0
    1.2767   -8.2483    0.0000 C   0  0
    1.2692   -9.7483    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 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
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.6011   -3.0008    0.0000 C   0  0
   -3.9020   -3.7494    0.0000 C   0  0
   -3.9072   -5.2494    0.0000 C   0  0
   -5.2089   -5.9949    0.0000 C   0  0
   -6.5053   -5.2405    0.0000 C   0  0
   -6.5001   -3.7405    0.0000 C   0  0
   -5.1985   -2.9950    0.0000 C   0  0
   -7.8092   -5.9837    0.0000 N   0  0
   -9.1052   -5.2270    0.0000 C   0  0
   -9.0975   -3.7270    0.0000 O   0  0
  -10.4091   -5.9702    0.0000 C   0  0
  -11.7045   -5.2139    0.0000 C   0  0
   -5.1968    1.5003    0.0000 C   0  0
   -5.1993    3.0004    0.0000 C   0  0
   -6.4995    3.7483    0.0000 C   0  0
   -7.7974    2.9963    0.0000 C   0  0
   -7.7950    1.4963    0.0000 C   0  0
   -6.4948    0.7483    0.0000 C   0  0
   -9.0920    0.7411    0.0000 O   0  0
   -9.0875   -0.7589    0.0000 C   0  0
   -6.5050    5.2492    0.0000 O   0  0
   -7.8063    5.9952    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13  8  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 24 18  1  0
 24 25  2  0
 25 15  1  0
 23 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
 30 33  1  0
 33 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  2  0
 20 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 38  1  0
 42 44  1  0
 44 45  1  0
 40 46  1  0
 46 47  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13969

> <plate>
PLATE 004

> <well>
C9

> <supplier_cmpd_name>
FIIN-2

> <ctcr_id>
12557

> <supplier_cmpd_id>
T6836

> <smiles>
CN1CCN(CC1)c1ccc(cc1)Nc1ncc2CN(C(=O)N(c2n1)Cc1ccc(cc1)NC(=O)C=C)c1cc(cc(c1)OC)OC

> <pd_targets>
{FGFR3,FGFR4,FGFR2,FGFR1}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type V RTKs: FGF (fibroblast growth factor) receptor family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Signaling by FGFR in disease","Signaling by 
FGFR","Signaling by FGFR3 in disease","Signaling by FGFR4","Signaling by FGFR2 in disease","Signaling by FGFR1 in disease","Signaling by FGFR3 point mutants in cancer","Downstream signaling of activat
ed FGFR4","FGFR2 mutant receptor activation","FGFR1 mutant receptor activation","FGFR3 mutant receptor activation","FRS-mediated FGFR4 signaling","Activated point mutants of FGFR2","Signaling by activ
ated point mutants of FGFR1","Signaling by activated point mutants of FGFR3"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{IIN,FIIN-2,FIIN2,1633044-56-0,1633044560,CHEMBL4065323,SCHEMBL17857061,BCP14779,EX-A1742,EXA1742,BDBM50232829,s7714,AKOS025287401,ZINC250363839,CCG-270298,CCG270298,CS-5343,CS5343,NCGC00484066-01,NCG
C0048406601,AC-32963,AC32963,HY-18602,HY18602,DS-015817,DS015817,A12357,T6836}

> <pdid>
PD021568

> <targets>
{FGFR,FGFR1,FGFR2,FGFR3,FGFR4}

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

> <pubchem_cids>
{91825767}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 48 52  0  0  0  0            999 V2000
  -10.3800   -3.0266    0.0000 C   0  0
   -9.0771   -3.7698    0.0000 O   0  0
  -11.6756   -3.7842    0.0000 C   0  0
  -11.6682   -5.2842    0.0000 C   0  0
  -10.3874   -1.5258    0.0000 N   0  0
   -9.0918   -0.7681    0.0000 C   0  0
   -9.0971    0.7319    0.0000 C   0  0
   -7.8007    1.4864    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -6.4938   -0.7591    0.0000 C   0  0
   -7.7902   -1.5136    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -3.8964   -0.7553    0.0000 C   0  0
   -5.1931   -1.5094    0.0000 N   0  0
   -5.1885   -3.0094    0.0000 C   0  0
   -3.8871   -3.7554    0.0000 N   0  0
   -2.5904   -3.0014    0.0000 C   0  0
   -2.5951   -1.5014    0.0000 C   0  0
   -1.2868   -3.7451    0.0000 N   0  0
   -1.2781   -5.2459    0.0000 C   0  0
    0.0238   -5.9911    0.0000 C   0  0
    0.0294   -7.4910    0.0000 C   0  0
   -1.2668   -8.2459    0.0000 C   0  0
   -2.5686   -7.5008    0.0000 C   0  0
   -2.5743   -6.0008    0.0000 C   0  0
   -1.2611   -9.7467    0.0000 N   0  0
    0.0395  -10.4940    0.0000 C   0  0
    0.0428  -11.9939    0.0000 C   0  0
   -1.2546  -12.7468    0.0000 N   0  0
   -2.5553  -11.9996    0.0000 C   0  0
   -2.5585  -10.4996    0.0000 C   0  0
   -1.2513  -14.2468    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -1.2991    0.7500    0.0000 N   0  0
   -0.0004    1.5023    0.0000 C   0  0
    1.3013    0.7568    0.0000 C   0  0
    2.5978    1.5113    0.0000 C   0  0
    2.5926    3.0113    0.0000 C   0  0
    1.2909    3.7568    0.0000 C   0  0
   -0.0055    3.0023    0.0000 C   0  0
   -1.3071    3.7479    0.0000 Cl  0  0
    1.2888    5.2577    0.0000 O   0  0
    2.5863    6.0103    0.0000 C   0  0
    3.9016    0.7681    0.0000 O   0  0
    5.1970    1.5244    0.0000 C   0  0
    1.3066   -0.7432    0.0000 Cl  0  0
  1  2  2  0
  1  3  1  0
  3  4  2  0
  1  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  9 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 18 20  1  0
 20 21  1  0
 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
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 27  1  0
 30 33  1  0
 13 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 37 38  2  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 41 42  2  0
 42 37  1  0
 42 43  1  0
 41 44  1  0
 44 45  1  0
 39 46  1  0
 46 47  1  0
 38 48  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13970

> <plate>
PLATE 004

> <well>
C10

> <supplier_cmpd_name>
FIIN-3

> <ctcr_id>
12558

> <supplier_cmpd_id>
T3466

> <smiles>
C(=O)(C=C)Nc1ccc(cc1)CN(c1ncnc(c1)Nc1ccc(cc1)N1CCN(CC1)C)C(=O)Nc1c(c(cc(c1Cl)OC)OC)Cl

> <pd_targets>
{FGFR3,FGFR2,FGFR1,FGFR4,EGFR}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type I RTKs: ErbB (epidermal
 growth factor) receptor family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Signaling by GPCR","Signaling by FGFR in dis
ease","Signaling by FGFR","GPCR downstream signalling","Signaling by FGFR3 in disease","Signaling by FGFR2 in disease","Signaling by FGFR1 in disease","Signaling by FGFR4","G alpha (q) signalling even
ts","Signaling by FGFR3 point mutants in cancer","FGFR2 mutant receptor activation","FGFR1 mutant receptor activation","Downstream signaling of activated FGFR4","Gastrin-CREB signalling pathway via PK
C and MAPK","FGFR3 mutant receptor activation","Activated point mutants of FGFR2","Signaling by activated point mutants of FGFR1","FRS-mediated FGFR4 signaling","EGFR Transactivation by Gastrin","Sign
aling by activated point mutants of FGFR3"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{IIN,FIIN-3,FIIN3,1637735-84-2,1637735842,CHEMBL4092990,"FIIN 3;FIIN3",SCHEMBL17857056,CHEBI:94612,HMS3265O09,BCP28774,EX-A2334,EXA2334,BDBM50232830,AKOS025287402,ZINC209735140,CS-5514,CS5514,HY-18603
,HY18603,BRD-K43568579-001-01-9,BRDK43568579001019,Q27166436,T3466}

> <pdid>
PD039008

> <targets>
{FGFR1,FGFR2,FGFR3,FGFR4}

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

> <pubchem_cids>
{73707531}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 30  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6024    2.9967    0.0000 C   0  0
   -3.9001    2.2444    0.0000 N   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -0.0093    6.0025    0.0000 O   0  0
   -2.6078    5.9988    0.0000 N   0  0
   -2.6109    7.4996    0.0000 C   0  0
   -3.9118    8.2481    0.0000 C   0  0
   -3.9149    9.7490    0.0000 C   0  0
   -5.2157   10.4975    0.0000 C   0  0
   -5.2210   11.9975    0.0000 C   0  0
   -6.5226   12.7430    0.0000 C   0  0
   -7.8190   11.9885    0.0000 C   0  0
   -7.8138   10.4885    0.0000 C   0  0
   -6.5122    9.7430    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -3.8983   -0.7459    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  2  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  3  0
  8 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
  6 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 24 28  2  0
 28  4  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13971

> <plate>
PLATE 004

> <well>
C11

> <supplier_cmpd_name>
Su1498

> <ctcr_id>
5523

> <supplier_cmpd_id>
T3980

> <smiles>
CC(C)c1cc(C=C(C#N)C(=O)NCCCc2ccccc2)cc(C(C)C)c1O

> <pd_targets>
{KDR,MAPT}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",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","Neuronal System","Signaling by Receptor Tyrosine Kinases","Transmission across Chemical Synapses","Signaling by VEGF","Neurotransmitter receptors and postsynaptic signal transm
ission","VEGFA-VEGFR2 Pathway","Activation of NMDA receptors and postsynaptic events","VEGFR2 mediated cell proliferation","Post NMDA receptor activation events","Activation of AMPK downstream of NMDA
Rs"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"AG 1498;Tyrphostin SU 1498",CHEMBL1731027,DB-010802,DB010802,FT-0771341,FT0771341,SR-03000001063,SR03000001063,SR-03000001063-1,SR030000010631,Q27164327,T3980,AC-1293,Su1498,SU1498}

> <pdid>
PD018399

> <targets>
{Flk1}

> <classes>
{}

> <pubchem_cids>
{5305}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 34 37  0  0  1  0            999 V2000
   -1.3065   -3.7452    0.0000 C   0  0
   -1.3090   -5.2451    0.0000 O   0  0
   -2.6052   -2.9930    0.0000 C   0  0
   -3.9058   -3.7404    0.0000 C   0  0
   -0.0053   -2.9973    0.0000 N   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 C   0  0
    3.8864   -5.2585    0.0000 O   0  0
    2.5847   -6.0040    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -1.2991    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -3.8978    3.7504    0.0000 C   0  0
   -5.1981    3.0025    0.0000 C   0  0
   -6.4960    3.7545    0.0000 C   0  0
   -6.4936    5.2545    0.0000 C   0  0
   -5.1934    6.0025    0.0000 C   0  0
   -3.8955    5.2504    0.0000 C   0  0
   -2.5953    5.9984    0.0000 Cl  0  0
   -5.1941    7.5033    0.0000 O   0  0
   -6.4930    8.2535    0.0000 C   0  0
   -7.7984    3.0088    0.0000 O   0  0
   -9.0952    3.7627    0.0000 C   0  0
   -5.2005    1.5025    0.0000 Cl  0  0
  1  2  2  0
  1  3  1  0
  3  4  2  0
  1  5  1  0
  6  5  1  6
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11  6  1  0
  7 12  1  6
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 16 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 15  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
 28 29  1  0
 27 30  1  0
 30 31  1  0
 25 32  1  0
 32 33  1  0
 24 34  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13972

> <plate>
PLATE 004

> <well>
D2

> <supplier_cmpd_name>
BLU-554

> <ctcr_id>
12559

> <supplier_cmpd_id>
T3456

> <smiles>
C(=O)(C=C)N[C@@H]1[C@@H](COCC1)Nc1nc2c(cn1)cc(cc2)c1c(c(cc(c1Cl)OC)OC)Cl

> <pd_targets>
{FGFR4}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type V RTKs: FGF (fibroblast growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by FGFR","Signaling by FGFR4","Downstream signaling of activated FGFR4","FRS-mediated FGFR4 signaling"}

> <broad_targets>
{}

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

> <synonyms>
{LU55,BLU-554,BLU554,Fisogatinib,1707289-21-1,1707289211,UNII-5Q7R99CKV2,UNII5Q7R99CKV2,5Q7R99CKV2,BLU111362,X439161,"Fisogatinib (INN)","Fisogatinib (USAN)",BLU554(Fisogatinib),"Fisogatinib (USAN/INN
)","BLU 554 (WHO-DD)","BLU 554 (WHODD)",CHEMBL4514636,SCHEMBL16668287,GTPL10220,EX-A841,EXA841,AMY16699,T3456}

> <pdid>
PD060817

> <targets>
{FGFR,FGFR1,FGFR2,FGFR3,FGFR4}

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

> <pubchem_cids>
{91885617}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 21 23  0  0  0  0            999 V2000
   -3.9477   -7.1844    0.0000 C   0  0
   -2.8628   -6.1485    0.0000 C   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 C   0  0
   -3.2175   -4.6910    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 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 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
    3.8788   -1.4412    0.0000 C   0  0
    4.8834   -2.5550    0.0000 C   0  0
    4.3416   -0.0143    0.0000 C   0  0
    5.3458   -1.1283    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 15 17  2  0
 17  8  1  0
 17 11  1  0
 10 18  1  0
 18 19  1  0
 18 20  1  0
 18 21  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13973

> <plate>
PLATE 004

> <well>
D3

> <supplier_cmpd_name>
PP1

> <ctcr_id>
4913

> <supplier_cmpd_id>
T6196

> <smiles>
Cc1ccc(cc1)c2nn(c3ncnc(N)c23)C(C)(C)C

> <pd_targets>
{PDGFRA,CSNK1D,CSK,CDC42BPA,FLT3,ABL1,BLK,EPHA2,CLK4,SRC,NTRK3,FRK,LIMK1,KIT,INSR,EGFR,KDR,FYN,PRKACA,RPS6KB1,MTOR,LCK,MAPK9,KDM4E,AMPC,RET,CLK2,MAP3K20,LYN,BTK,NTRK2,FGFR3,HTT,RORC,CSNK1A1,MARK2,FLT1
,ERBB4,TEK,ROCK2,WNK1,RPS6KA3,PLK4,RIPK2,CSF1R,AKT3,ERBB2,PRKD3,SLK,YES1,AURKB,LMNA,TAOK1,SRMS,PTK6,FLT4,HPGD,RPL19A,PRKD2,ROCK1,MAPK14,STK3,ALDH1A1,MAP4K4,IRAK4,FGFR1,ROS1}

> <pathway_gtopdb>
{Enzyme,"Epigenetic regulator","Unclassified protein","Transcription factor","Other nuclear protein",Kinase,Eraser,Hydrolase,"Nuclear receptor",Oxidoreductase,"Protein Kinase","Lysine demethylase","Nu
clear hormone receptor subfamily 1","TK protein kinase group","CK1 protein kinase group","AGC protein kinase group","CMGC protein kinase group","TKL protein kinase group","Atypical protein kinase grou
p","Jumonji domain-containing","Nuclear hormone receptor subfamily 1 group F","CAMK protein kinase group","Other protein kinase group","STE protein kinase group","Tyrosine protein kinase PDGFR family"
,"CK1 protein kinase CK1 family","Tyrosine protein kinase Csk family","AGC protein kinase DMPK family","Tyrosine protein kinase Abl family","Tyrosine protein kinase Src family","Tyrosine protein kinas
e Eph family","CMGC protein kinase CLK family","Tyrosine protein kinase Trk family","TKL protein kinase LISK family","Tyrosine protein kinase InsR family","Tyrosine protein kinase EGFR family","Tyrosi
ne protein kinase VEGFR family","AGC protein kinase PKA family","AGC protein kinase RSK family","Atypical protein kinase PIKK family","CMGC protein kinase MAPK family","Tyrosine protein kinase Ret fam
ily","TKL protein kinase MLK family","Tyrosine protein kinase Tec family","Tyrosine protein kinase FGFR family","Nuclear hormone receptor subfamily 1 group F member 3","CAMK protein kinase CAMK1 famil
y","Tyrosine protein kinase Tie family","Other protein kinase Wnk family","Other protein kinase PLK family","TKL protein kinase RIPK family","AGC protein kinase AKT family","CAMK protein kinase PKD fa
mily","STE protein kinase STE20 family","Other protein kinase AUR family","TKL protein kinase IRAK family","Tyrosine protein kinase Sev family","AGC protein kinase GEK subfamily","TKL protein kinase L
IMK subfamily","Tyrosine protein kinase SrcA","AGC protein kinase p70 subfamily","Atypical protein kinase FRAP subfamily","CMGC protein kinase JNK subfamily","TKL protein kinase MLK subfamily","CAMK p
rotein kinase MARK subfamily","AGC protein kinase ROCK subfamily","AGC protein kinase RSK subfamily","STE protein kinase SLK subfamily","STE protein kinase TAO subfamily","Tyrosine protein kinase Srm"
,"CMGC protein kinase p38 subfamily","STE protein kinase MST subfamily","STE protein kinase MSN subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Chromatin modifying enzymes","Nuclear hormone receptors","Eicosanoid turnover","Receptor kinases","CK1: Casein kinase 1","AGC: Containi
ng PKA",PKG,"PKC families","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Atypical,"1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans","CAMK: Calcium/calmodulin-dependent protein kin
ases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Prostaglandin synthases","TK: Tyrosine kinase","Casein kinase 1 (CK1) family","DMPK family","CLK family","TKL: Tyrosine kina
se-like","Protein kinase A (PKA) family","RSK family","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Mitogen-activated protein kinases (MAP kinases)","CAMK-like (CAMKL) family","Othe
r protein kinases","Akt (Protein kinase B","PKB) family","Protein kinase D (PKD) family","STE20 family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","GEK subfamily","LIM 
domain kinase (LISK) family","p70 subfamily","FRAP subfamily","JNK subfamily","Mixed Lineage Kinase (MLK) family","MARK subfamily","Rho kinase","Wnk family","RSK subfamily","Polo-like kinase (PLK) fam
ily","Receptor interacting protein kinase (RIPK) family","SLK subfamily","Aurora kinase (Aur) family","TAO subfamily","p38 subfamily","MST subfamily","MSN subfamily","Interleukin-1 receptor-associated
 kinase (IRAK) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Csk family","Abl family","Src family","Type XIII RTKs: Ephrin receptor family","Type VII RTKs: Neurotrophin receptor/Trk 
family","LIMK subfamily","Type II RTKs: Insulin receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"
,"Type XIV RTKs: RET","MLK subfamily","Tec family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type XII RTKs: TIE family of angiopoietin receptors","Type XVII RTKs: ROS receptors"}

> <pathway_reactome>
{Disease,"Cell Cycle","Signal Transduction","Gene expression (Transcription)","Developmental Biology","Immune System","Neuronal System","Transport of small molecules",Metabolism,"Cellular responses to
 external stimuli","Diseases of signal transduction by growth factor receptors and second messengers",Mitotic,"Signaling by Receptor Tyrosine Kinases","Infectious disease","RNA Polymerase II Transcrip
tion","Nervous system development","Intracellular signaling by second messengers","Signaling by GPCR","MTOR signalling","Innate Immune System","Transmission across Chemical Synapses","MAPK family sign
aling cascades","Ion channel transport","Metabolism of lipids","Signaling by Non-Receptor Tyrosine Kinases","Signaling by Hippo","Biological oxidations","Cellular responses to stress","Signaling by PD
GFR in disease","Mitotic G2-G2/M phases","Oncogenic MAPK signaling","Signaling by Insulin receptor","Leishmania infection","Generic Transcription Pathway","Axon guidance","Signaling by NTRKs","PIP3 ac
tivates AKT signaling","Signaling by KIT in disease","GPCR downstream signalling","Signaling by VEGF","HIV Infection","mTORC1-mediated signalling","Toll-like Receptor Cascades","Signaling by FGFR in d
isease","Signaling by WNT in cancer","Neurotransmitter receptors and postsynaptic signal transmission","MAPK1/MAPK3 signaling","Stimuli-sensing channels","Sphingolipid metabolism","M Phase","Signaling
 by PTK6","Mitotic G1 phase and G1/S transition","Biosynthesis of specialized proresolving mediators (SPMs)","Phase I - Functionalization of compounds","Cellular Senescence","Drug resistance of PDGFR 
mutants","G2/M Transition","Signaling by RAS mutants","Insulin receptor signalling cascade","Parasite infection","Transcriptional regulation by RUNX1","EPH-Ephrin signaling","Signaling by NTRK1 (TRKA)
","Signaling by NTRK3 (TRKC)","PTEN Regulation","Semaphorin interactions","Drug resistance of KIT mutants","Negative regulation of the PI3K/AKT network","G alpha (q) signalling events","VEGFA-VEGFR2 P
athway","Host Interactions of HIV factors","Transcriptional Regulation by TP53","Toll Like Receptor 5 (TLR5) Cascade","RET signaling","Leishmania parasite growth and survival","Signaling by FGFR3 in d
isease","Transcriptional Regulation by MECP2","Transcriptional regulation by RUNX3","Signaling by AMER1 mutants","VEGF ligand-receptor interactions","Activation of NMDA receptors and postsynaptic even
ts","RAF/MAP kinase cascade","Transcriptional Regulation by VENTX","Sphingolipid de novo biosynthesis","Mitotic Metaphase and Anaphase","PTK6 Down-Regulation","G1 Phase","Biosynthesis of DHA-derived S
PMs","Ethanol oxidation","Oxidative Stress Induced Senescence","Toll Like Receptor 2 (TLR2) Cascade","Signaling by FGFR1 in disease","Imatinib-resistant PDGFR mutants","Centrosome maturation","Signali
ng downstream of RAS mutants","IRS-mediated signalling","Leishmania phagocytosis","RUNX1 regulates transcription of genes involved in BCR signaling","EPHA-mediated growth cone collapse","Signalling to
 ERKs","Activated NTRK3 signals through PI3K","Regulation of PTEN stability and activity","Sema4D in semaphorin signaling","Dasatinib-resistant KIT mutants",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signa
ling","Gastrin-CREB signalling pathway via PKC and MAPK","VEGFR2 mediated cell proliferation","The role of Nef in HIV-1 replication and disease pathogenesis","Regulation of TP53 Activity","MyD88 casca
de initiated on plasma membrane","Anti-inflammatory response favouring Leishmania parasite infection","Activation of TRKA receptors","Signaling by FGFR3 point mutants in cancer","Regulation of MECP2 e
xpression and activity","RUNX3 Regulates Immune Response and Cell Migration","Truncations of AMER1 destabilize the destruction complex","VEGF binds to VEGFR leading to receptor dimerization","Post NMD
A receptor activation events","Mitotic Anaphase","Cyclin D associated events in G1","Biosynthesis of D-series resolvins","Toll Like Receptor TLR6:TLR2 Cascade","FGFR1 mutant receptor activation","Loss
 of proteins required for interphase microtubule organization from the centrosome","PI3K Cascade","FCGR3A-mediated phagocytosis","Signalling to RAS","Sema4D induced cell migration and growth-cone coll
apse","EGFR Transactivation by Gastrin","Nef and signal transduction","Regulation of TP53 Expression and Degradation","Nef-mediates down modulation of cell surface receptors by recruiting them to clat
hrin adapters","MAP kinase activation","FCGR3A-mediated IL10 synthesis","NGF-independant TRKA activation","FGFR3 mutant receptor activation","Long-term potentiation","Separation of Sister Chromatids",
"Nuclear Envelope (NE) Reassembly","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Signaling by activated point mutants of FGFR1","Loss of Nlp from mitotic centrosomes","p38MAPK events","Regu
lation of TP53 Degradation","Nef Mediated CD4 Down-regulation","MAPK targets/ Nuclear events mediated by MAP kinases","Signaling by activated point mutants of FGFR3","activated TAK1 mediates p38 MAPK 
activation","Initiation of Nuclear Envelope (NE) Reformation","Activation of the AP-1 family of transcription factors","CREB phosphorylation"}

> <broad_targets>
{HCK,RET}

> <broad_moa>
{"SRC inhibitor"}

> <synonyms>
{172889-26-8,172889268,PP1,"PP 1","1-(tert-Butyl)-3-(p-tolyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine","1(tertButyl)3(ptolyl)1Hpyrazolo(3,4d)pyrimidin4amine","1-tert-butyl-3-(4-methylphenyl)-1h-pyrazolo(3
,4-d)pyrimidin-4-amine","1tertbutyl3(4methylphenyl)1hpyrazolo(3,4d)pyrimidin4amine","1-ter-butyl-3-p-tolyl-1h-pyrazolo(3,4-d)pyrimidin-4-ylamine","1terbutyl3ptolyl1hpyrazolo(3,4d)pyrimidin4ylamine",CH
EMBL306380,1-tert-butyl-3-,1tertbutyl3,T6196,1397,EI-275,S7060}

> <pdid>
PD008408

> <targets>
{Src,"Src family",Apoptosis}

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

> <pubchem_cids>
{1400}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 N   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 N   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8994    0.7522    0.0000 N   0  0
   -5.1981    1.5045    0.0000 C   0  0
   -6.4998    0.7590    0.0000 C   0  0
   -7.7962    1.5135    0.0000 C   0  0
   -7.7910    3.0135    0.0000 C   0  0
   -9.0866    3.7711    0.0000 O   0  0
   -9.0793    5.2719    0.0000 C   0  0
  -10.3731    6.0309    0.0000 C   0  0
  -10.3628    7.5309    0.0000 C   0  0
   -9.0586    8.2719    0.0000 C   0  0
   -7.7647    7.5130    0.0000 C   0  0
   -7.7751    6.0130    0.0000 C   0  0
   -6.4894    3.7590    0.0000 C   0  0
   -5.1930    3.0045    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 O   0  0
   -1.3032   -3.7490    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 16  1  0
 14 22  1  0
 22 23  2  0
 23 11  1  0
  9 24  2  0
 24  5  1  0
 24 25  1  0
 25 26  2  0
 26  3  1  0
 26 27  1  0
 27 28  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13974

> <plate>
PLATE 004

> <well>
D4

> <supplier_cmpd_name>
Src Inhibitor 1

> <ctcr_id>
2179

> <supplier_cmpd_id>
T3593

> <smiles>
COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC

> <pd_targets>
{RIPK2,EPHB2,SRC,KSR2}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","TKL protein kinase group","TK protein kinase group","TKL protein kinase RIPK family","Tyrosine protein kinase Eph family","Tyrosine protein kinase Src fami
ly"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","Receptor interacting protein kinase (RIPK) family","Receptor tyrosine kinases (RTKs)","Non-recept
or tyrosine kinases (nRTKs)","RAF family","Type XIII RTKs: Ephrin receptor family","Src family"}

> <pathway_reactome>
{"Immune System","Developmental Biology","Signal Transduction",Disease,"Innate Immune System","Nervous system development","Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by 
growth factor receptors and second messengers","Toll-like Receptor Cascades","Axon guidance","Signaling by NTRKs","Oncogenic MAPK signaling","Toll Like Receptor 5 (TLR5) Cascade","EPH-Ephrin signaling
","Signaling by NTRK1 (TRKA)","Signaling by RAS mutants","MyD88 cascade initiated on plasma membrane","EPHB-mediated forward signaling","Signalling to ERKs","Signaling downstream of RAS mutants","MAP 
kinase activation","Signalling to RAS","activated TAK1 mediates p38 MAPK activation","p38MAPK events"}

> <broad_targets>
{CSK,LCK,RIPK2}

> <broad_moa>
{"SRC inhibitor"}

> <synonyms>
{"Src Kinase Inhibitor I",179248-59-0,179248590,"Src I1","Src Inhibitor 1","6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine","6,7dimethoxyN(4phenoxyphenyl)quinazolin4amine","Src Inhibitor-1","Src 
Inhibitor1","Src I 1","4-Quinazolinamine, 6,7-dimethoxy-N-(4-phenoxyphenyl)-","4Quinazolinamine, 6,7dimethoxyN(4phenoxyphenyl)",6,7-dimethoxy-N-(4-phenoxyphenyl)-4-quinazo,7dimethoxyN(4phenoxyphenyl)4
quinazo,T3593,"EMD 567805",nan,567805}

> <pdid>
PD015730

> <targets>
{"SRC Inhibitor"}

> <classes>
{}

> <pubchem_cids>
{1474853}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 13 14  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0008    0.0000 C   0  0
   -1.2122   -3.8625    0.0000 C   0  0
   -0.7464   -5.2884    0.0000 C   0  0
   -1.6261   -6.5033    0.0000 S   0  0
    0.7536   -5.2860    0.0000 S   0  0
    1.2149   -3.8587    0.0000 S   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  2  0
  7  1  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13  8  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13975

> <plate>
PLATE 004

> <well>
D5

> <supplier_cmpd_name>
Desmethylanethol trithione

> <ctcr_id>
12182

> <supplier_cmpd_id>
T3560

> <smiles>
c1cc(O)ccc1c1cc(=S)ss1

> <pd_targets>
{HDAC1,HDAC10,HDAC11,HDAC2,HDAC3,HDAC4,HDAC5,HDAC6,HDAC7,HDAC8,HDAC9}

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

> <pathway_chembl>
{}

> <pathway_reactome>
{}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{18274-81-2,18274812,"5-(4-hydroxyphenyl)-3H-1,2-dithiole-3-thione","5(4hydroxyphenyl)3H1,2dithiole3thione","Desmethylanethol trithione",ADT-OH,ADTOH,"3H-1,2-Dithiole-3-thione, 5-(4-hydroxyphenyl)-","
3H1,2Dithiole3thione, 5(4hydroxyphenyl)",CHEMBL402341,UNII-P3SE9K2LHV,UNIIP3SE9K2LHV,P3SE9K2LHV,"ACS 1",4-(5-sulfanyldithiol-3-ylidene)cyc,4(5sulfanyldithiol3ylidene)cyc,T3560}

> <pdid>
PD017724

> <targets>
{Akt,VEGFR}

> <classes>
{"Cytoskeletal Signaling",Angiogenesis,"PI3K/Akt/mTOR signaling","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{3082127}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 31  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
    6.4963   -0.7535    0.0000 O   0  0
    6.4965    0.7465    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 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -3.8971    3.7500    0.0000 N   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -2.6016   -2.9971    0.0000 O   0  0
   -1.3070   -5.2502    0.0000 N   0  0
   -2.6078   -5.9988    0.0000 C   0  0
   -2.6109   -7.4988    0.0000 C   0  0
   -3.9083   -6.7463    0.0000 C   0  0
   -3.9055   -5.2465    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  5  8  2  0
  8  9  1  0
  9 10  2  0
 10  3  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  2  0
 19 13  1  0
 19 20  1  0
 20 21  2  0
 21 11  1  0
 21 22  1  0
 22 23  1  0
 23 24  2  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 26 29  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13976

> <plate>
PLATE 004

> <well>
D6

> <supplier_cmpd_name>
PD-166866

> <ctcr_id>
12562

> <supplier_cmpd_id>
T3492

> <smiles>
COc1cc(OC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C

> <pd_targets>
{FGFR1,FGFR2,FGFR3,FGFR4,EGFR}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type V RTKs: FGF (fibroblast
 growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Signaling by GPCR","Diseases of signal transduction by growth factor receptors and second messengers","GPCR downstream signalling","Signaling by FGFR in disease","G alp
ha (q) signalling events","Signaling by FGFR1 in disease","Gastrin-CREB signalling pathway via PKC and MAPK","FGFR1 mutant receptor activation","EGFR Transactivation by Gastrin","Signaling by activate
d point mutants of FGFR1"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{D16686,192705-79-6,192705796,PD-166866,PD166866,"PD 166866",UNII-NA856793UT,UNIINA856793UT,CHEMBL299763,NA856793UT,"6-arylpyrido(2,3-d)pyrimidine deriv. 25","6arylpyrido(2,3d)pyrimidine deriv. 25","P
D-166866 (PD166866)","PD166866 (PD166866)",BDBM3443,SCHEMBL1248489,DTXSID20416144,CHEBI:156259,HMS3263L17,BCP20054,EX-A1324,EXA1324,ZINC1546258,Tox2,T3492}

> <pdid>
PD015690

> <targets>
{FGFR,FGFR1}

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

> <pubchem_cids>
{5328127}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 27 30  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.6065    0.0000    0.0000 N   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.0337    2.1646    0.0000 O   0  0
   -5.1046   -0.0020    0.0000 C   0  0
   -5.8529   -1.3030    0.0000 C   0  0
   -7.3529   -1.3050    0.0000 O   0  0
   -5.1011   -2.6020    0.0000 N   0  0
   -5.8494   -3.9030    0.0000 C   0  0
   -5.2289   -5.2546    0.0000 S   0  0
   -6.3440   -6.2579    0.0000 C   0  0
   -7.6428   -5.5074    0.0000 C   0  0
   -7.3303   -4.0403    0.0000 N   0  0
   -5.8564    1.2969    0.0000 C   0  0
   -7.3564    1.2924    0.0000 C   0  0
   -8.1104    2.5892    0.0000 C   0  0
   -7.3644    3.8905    0.0000 C   0  0
   -5.8644    3.8951    0.0000 C   0  0
   -5.1104    2.5983    0.0000 C   0  0
   -4.1104    2.6014    0.0000 O   0  0
   -9.6104    2.5846    0.0000 F   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  9 10  2  0
  8 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 15  2  0
 11 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 25 26  1  0
 22 27  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13977

> <plate>
PLATE 004

> <well>
D7

> <supplier_cmpd_name>
EAI045

> <ctcr_id>
11548

> <supplier_cmpd_id>
T6824

> <smiles>
c1ccc2c(c1)CN(C2=O)C(C(=O)Nc1sccn1)c1cc(ccc1O)F

> <pd_targets>
{EGFR}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR downstream signalling","G alpha (q) signalling events","Gastrin-CREB signalling pathway via PKC and MAPK","EGFR Transactivation by Gastrin"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{EAI045,1942114-09-1,1942114091,EAI-045,CHEMBL4214567,GTPL9222,SCHEMBL18472992,AMY9112,BCP17698,EX-A1735,EXA1735,BDBM50453891,s8242,AKOS030573300,CCG-268438,CCG268438,CS-5835,CS5835,AC-29880,AC29880,A
K607730,AS-55933,AS55933,HY-100213,HY100213,Q27077145,FC=1C=CC(=C(C=1)C(C(=O)NC=1SC=CN=1)N1C(C2=CC=CC=C2C1)=O),T6824}

> <pdid>
PD048224

> <targets>
{EGFR,"EGFR mutants"}

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

> <pubchem_cids>
{121231412}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    5.1852    3.0091    0.0000 Br  0  0
    5.1903    1.5091    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 N   0  0
    0.0049   -5.9994    0.0000 C   0  0
    1.3026   -5.2471    0.0000 O   0  0
    0.0080   -7.5002    0.0000 C   0  0
    1.3081   -8.2484    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  2  0
 15 21  1  0
 21 22  2  0
 22  8  1  0
 22 12  1  0
  6 23  2  0
 23  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13978

> <plate>
PLATE 004

> <well>
D8

> <supplier_cmpd_name>
PD168393

> <ctcr_id>
3834

> <supplier_cmpd_id>
T6932

> <smiles>
Brc1cccc(Nc2ncnc3ccc(NC(=O)C=C)cc23)c1

> <pd_targets>
{EGFR,FYN,BTK,SRC,ERBB4,JAK3,BMX,ERBB2,BLK,ERBB3}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type I RTKs: ErbB (epidermal growth factor) recept
or family","Src family","Tec family","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Neuronal System","Immune System",Metabolism,"Developmental Biology","Gene expression (Transcription)","Signaling by GPCR","Infectious disease","Signaling by Receptor Ty
rosine Kinases","Transmission across Chemical Synapses","Cytokine Signaling in Immune system","Metabolism of lipids","Nervous system development","RNA Polymerase II Transcription","GPCR downstream sig
nalling","HIV Infection","Leishmania infection","Signaling by NTRKs","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by Interleukins","Phospholipid metabolism","Axon guida
nce","Generic Transcription Pathway","G alpha (q) signalling events","Host Interactions of HIV factors","Parasite infection","Signaling by NTRK1 (TRKA)","Activation of NMDA receptors and postsynaptic 
events","Interleukin-2 family signaling","PI Metabolism","Semaphorin interactions","Transcriptional regulation by RUNX1","Gastrin-CREB signalling pathway via PKC and MAPK","The role of Nef in HIV-1 re
plication and disease pathogenesis","Leishmania phagocytosis","Signalling to ERKs","Post NMDA receptor activation events","Interleukin-15 signaling","Synthesis of PIPs at the plasma membrane","Sema4D 
in semaphorin signaling","RUNX1 regulates transcription of genes involved in BCR signaling","EGFR Transactivation by Gastrin","Nef and signal transduction","FCGR3A-mediated phagocytosis","Signalling t
o RAS","Long-term potentiation","Sema4D induced cell migration and growth-cone collapse","p38MAPK events"}

> <broad_targets>
{EGFR,ERBB2,SRC}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{194423-15-9,194423159,PD168393,PD-168393,"pd 168393",4-((3-Bromophenyl)amino)-6-acrylamidoquinazoline,4((3Bromophenyl)amino)6acrylamidoquinazoline,UNII-3R996Y9T0I,UNII3R996Y9T0I,n-(4-((3-bromophenyl)
amino)quinazolin-6-yl)prop-2-enamide,n(4((3bromophenyl)amino)quinazolin6yl)prop2enamide,N-(4-(3-bromoanilino)quinazolin-6-yl)prop-2-enamide,N(4(3bromoanilino)quinazolin6yl)prop2enamide,N-(4-((3-bromop
henyl)amino)quin,N(4((3bromophenyl)amino)quin,T6932,SY-PD168393,S7039}

> <pdid>
PD005576

> <targets>
{EGFR,PTK}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{4708}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    7.7988   -1.4819    0.0000 Br  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -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
   -1.2959   -5.2508    0.0000 O   0  0
    0.0042   -5.9990    0.0000 C   0  0
   -3.8994   -3.7478    0.0000 O   0  0
   -5.1973   -2.9959    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
  5  9  1  0
  2 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 10  1  0
 19 14  1  0
 17 20  1  0
 20 21  1  0
 16 22  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13979

> <plate>
PLATE 004

> <well>
D9

> <supplier_cmpd_name>
EBE-A22

> <ctcr_id>
11549

> <supplier_cmpd_id>
T3558

> <smiles>
CN(c1cc(ccc1)Br)c1ncnc2cc(c(cc12)OC)OC

> <pd_targets>
{EGFR}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR downstream signalling","G alpha (q) signalling events","Gastrin-CREB signalling pathway via PKC and MAPK","EGFR Transactivation by Gastrin"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{BEA2,EBE-A22,EBEA22,229476-53-3,229476533,"N-(3-bromophenyl)-6,7-dimethoxy-N-methylquinazolin-4-amine","N(3bromophenyl)6,7dimethoxyNmethylquinazolin4amine",CHEMBL447230,"PD153035 Analog 63","EBE-A 22
","EBEA 22",BDBM3563,DTXSID60416148,"4-Quinazolinamine, N-(3-bromophenyl)-6,7-dimethoxy-N-methyl-","4Quinazolinamine, N(3bromophenyl)6,7dimethoxyNmethyl",BCP20742,ZINC3815290,s6530,AKOS030,T3558}

> <pdid>
PD012762

> <targets>
{EGFR/ErbB1}

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

> <pubchem_cids>
{5328227}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 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
   -2.5973    1.5031    0.0000 C   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 N   0  0
   -1.2883    5.2495    0.0000 C   0  0
   -1.2935    3.7495    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    6.4920    0.7636    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    3.8939    0.7546    0.0000 C   0  0
    7.7884    1.5181    0.0000 C   0  0
    7.7988   -1.4819    0.0000 Br  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  1  1  0
 10  5  1  0
  4 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
  1 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 19  1  0
 22 25  1  0
 21 26  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13980

> <plate>
PLATE 004

> <well>
D10

> <supplier_cmpd_name>
NVP-ACC789

> <ctcr_id>
12203

> <supplier_cmpd_id>
T3463

> <smiles>
c1(nnc(c2ccccc12)Cc1ccncc1)Nc1cc(c(cc1)C)Br

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{VPACC78,300842-64-2,300842642,NVP-ACC789,NVPACC789,ACC-789,ACC789,N-(3-bromo-4-methylphenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine,N(3bromo4methylphenyl)4(pyridin4ylmethyl)phthalazin1amine,NVP-ACC
-789,ACC-789;ZK202650,ACC789;ZK202650,N-(3-Bromo-4-methylphenyl)-4-(4-pyridinylmethyl)-1-phthalazinamine,N(3Bromo4methylphenyl)4(4pyridinylmethyl)1phthalazinamine,SCHEMBL1652070,DTXSID80426082,ZINC603
071,B,T3463}

> <pdid>
PD064141

> <targets>
{VEGFR,PDGFR}

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

> <pubchem_cids>
{6918616}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 26 29  0  0  0  0            999 V2000
    3.8988   -3.7512    0.0000 C   0  0
    2.5997   -3.0012    0.0000 N   0  0
    1.3009   -3.7516    0.0000 C   0  0
    2.5988   -1.5004    0.0000 S   0  0
    3.8982   -2.2498    0.0000 O   0  0
    3.8976   -0.7500    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -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 N   0  0
   -6.7425   -4.1498    0.0000 C   0  0
   -7.8605   -5.1498    0.0000 C   0  0
   -9.2856   -4.6816    0.0000 C   0  0
   -9.5926   -3.2133    0.0000 C   0  0
   -8.4746   -2.2133    0.0000 C   0  0
   -7.0495   -2.6815    0.0000 C   0  0
   -5.7489   -1.9360    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  2  0
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  2  0
 23 24  1  0
 24 16  2  0
 14 25  1  0
 25 10  1  0
 25 26  2  0
 26  7  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13981

> <plate>
PLATE 004

> <well>
D11

> <supplier_cmpd_name>
SU6656

> <ctcr_id>
6535

> <supplier_cmpd_id>
T6997

> <smiles>
CN(C)[S](=O)(=O)c1ccc2NC(=O)C(=Cc3[nH]c4CCCCc4c3)c2c1

> <pd_targets>
{ALDH1A1,STK3,PMP22,AMPC,SRC,BRSK2,ALK,NFKB1,BLM,FYN,AURKB,RECQL,KMT2A,RAB9A,STAT6,CHRM1,HBB,CYP2C9,GMNN,LCK,AURKC,YES1,LYN,MAPT,NPC1,CYP2D6,MAPK1,FLT3,MEN1,CYP2C19,CYP1A2,LMNA,ALOX15,NPSR1,CYP3A4,SMN
1,FTL,HIF1A,TGR,LEF,RET,MTOR}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Other cytosolic protein","Epigenetic regulator","Transcription factor","Membrane receptor","Secreted protein",Transporter,"Other nuclear protein",Oxidoreductase,Kinase,
Hydrolase,Reader,"Family A G protein-coupled receptor","Cytochrome P450",Protease,"Protein Kinase",Bromodomain,"Small molecule receptor (family A GPCR)","Cytochrome P450 family 2","Cysteine protease",
"Cytochrome P450 family 1","Peptide receptor (family A GPCR)","Cytochrome P450 family 3","Methyl-lysine/arginine binding protein","Metallo protease","STE protein kinase group","TK protein kinase group
","CAMK protein kinase group","TKL protein kinase group","Other protein kinase group","Monoamine receptor","Cytochrome P450 family 2C","Cysteine protease CA clan","Cytochrome P450 family 2D","CMGC pro
tein kinase group","Cytochrome P450 family 1A","Short peptide receptor (family A GPCR)","Cytochrome P450 family 3A","Tudor domain","Metallo protease MAE clan","Atypical protein kinase group","STE prot
ein kinase STE20 family","Tyrosine protein kinase Src family","CAMK protein kinase CAMK1 family","TKL protein kinase STKR family","Other protein kinase AUR family","Acetylcholine receptor","Cytochrome
 P450 2C9","Cysteine protease C1A family","Cytochrome P450 2D6","CMGC protein kinase MAPK family","Tyrosine protein kinase PDGFR family","Cytochrome P450 2C19","Cytochrome P450 1A1","Neuropeptide rece
ptor","Cytochrome P450 3A4","Metallo protease M34 family","Tyrosine protein kinase Ret family","Atypical protein kinase PIKK family","STE protein kinase MST subfamily","CAMK protein kinase BRSK subfam
ily","TKL protein kinase STKR Type 1 subfamily","Tyrosine protein kinase SrcA","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets",Transporters,"Kinases (EC 2.7.x.x)","Catalytic receptors","Chromatin modifying enzymes","Transcription factors","G protein-coupled receptors","Cytochrome P45
0","SLC superfamily of solute carriers","Eicosanoid turnover","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinase
s","2.1.1.43 Histone methyltransferases (HMTs)","STAT transcription factors","Acetylcholine receptors (muscarinic)","CYP2 family: drug metabolising subset","SLC65 NPC-type cholesterol transporters","C
MGC: Containing CDK",MAPK,GSK3,"CLK families","CYP1 family",Lipoxygenases,"Neuropeptide S receptor","CYP3 family",Atypical,"STE20 family","TK: Tyrosine kinase","CAMK-like (CAMKL) family","Other protei
n kinases","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","MST subfamily","Non-receptor tyrosine kinases (nRTKs)","BRSK subfamily","R
eceptor tyrosine kinases (RTKs)","Aurora kinase (Aur) family","ERK subfamily","FRAP subfamily","Src family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type III RTKs: PDGFR",CSFR
,Kit,"FLT3 receptor family","Type XIV RTKs: RET"}

> <pathway_reactome>
{Metabolism,"Signal Transduction","Developmental Biology","Immune System","DNA Repair",Disease,"Cell Cycle","Gene expression (Transcription)","Neuronal System","Transport of small molecules","Metaboli
sm of RNA","Vesicle-mediated transport","Cellular responses to external stimuli","Biological oxidations","Signaling by Hippo","Nervous system development","Signaling by Receptor Tyrosine Kinases","Cyt
okine Signaling in Immune system","DNA Double-Strand Break Repair","Infectious disease",Mitotic,"RNA Polymerase II Transcription","Signaling by Rho GTPases","Innate Immune System","Signaling by GPCR",
"Transmission across Chemical Synapses","Plasma lipoprotein assembly",remodeling,"and clearance","Metabolism of lipids","Metabolism of non-coding RNA","Membrane Trafficking","Cellular responses to str
ess","Phase I - Functionalization of compounds","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Signaling by NTRKs","Signaling by Interleukins","Homology Directed Repair","HIV Infect
ion","M Phase","Generic Transcription Pathway","Rho GTPase cycle","Cytosolic sensors of pathogen-associated DNA","GPCR ligand binding","Neutrophil degranulation","Mitotic G1 phase and G1/S transition"
,"Leishmania infection","Neurotransmitter receptors and postsynaptic signal transmission","Plasma lipoprotein clearance","Toll-like Receptor Cascades","Signaling by Insulin receptor","Biosynthesis of 
specialized proresolving mediators (SPMs)","snRNP Assembly","trans-Golgi Network Vesicle Budding","Cellular response to hypoxia","Uptake and actions of bacterial toxins","Axon guidance","Ethanol oxida
tion","Signaling by NTRK1 (TRKA)","Interleukin-1 family signaling","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Host Interactions of HIV factors","Mitotic Metaphase a
nd Anaphase","Transcriptional regulation by RUNX1","RHOBTB GTPase Cycle","STING mediated induction of host immune responses","Class A/1 (Rhodopsin-like receptors)","Cytochrome P450 - arranged by subst
rate type","G1/S Transition","Leishmania parasite growth and survival","Activation of NMDA receptors and postsynaptic events","LDL clearance","Toll Like Receptor 5 (TLR5) Cascade","Insulin receptor si
gnalling cascade","Biosynthesis of DPA-derived SPMs","Biosynthesis of DHA-derived SPMs","Golgi Associated Vesicle Biogenesis","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha"
,"Uptake and function of anthrax toxins","RET signaling","Transcriptional Regulation by TP53","Signalling to ERKs","Interleukin-1 signaling","HDR through Homologous Recombination (HRR)","The role of N
ef in HIV-1 replication and disease pathogenesis","Mitotic Anaphase","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","RHOBTB3 ATPase cycle","STAT6-mediated indu
ction of chemokines","Amine ligand-binding receptors",Xenobiotics,"Activation of the pre-replicative complex","Anti-inflammatory response favouring Leishmania parasite infection","Post NMDA receptor a
ctivation events","MyD88 cascade initiated on plasma membrane","IRS-mediated signalling","Biosynthesis of DPAn-3 SPMs","Biosynthesis of maresins","Regulation of TP53 Activity","Signalling to RAS","MAP
3K8 (TPL2)-dependent MAPK1/3 activation","Homologous DNA Pairing and Strand Exchange","Nef and signal transduction","Separation of Sister Chromatids","Muscarinic acetylcholine receptors","CYP2E1 react
ions","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","FCGR3A-mediated IL10 synthesis","Activation of AMPK downstream of NMDARs","MAP kinase activation
","PI3K Cascade","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Nuclear Envelope (NE) Reassembly","Biosynthesis of DPAn-3-derived protectins and resolvins","ADORA2B mediated anti-
inflammatory cytokines production","Biosynthesis of maresin-like SPMs","Regulation of TP53 Expression and Degradation","p38MAPK events","Presynaptic phase of homologous DNA pairing and strand exchange
","Nef Mediated CD4 Down-regulation","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs 
are inactivated"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{SCHEMBL1737451,CHEBI:91462,DTXSID601017226,HMS3372L02,BCP14728,NCGC00346933-01,NCGC0034693301,AK547748,FT-0700292,FT0700292,T6997,"EMD 572635",SU6656,572635,"SU 6656"}

> <pdid>
PD002623

> <targets>
{Src,SRC}

> <classes>
{}

> <pubchem_cids>
{5309}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 32  0  0  0  0            999 V2000
   11.6990   -0.7503    0.0000 C   0  0
   10.3985   -1.4977    0.0000 N   0  0
    9.0998   -0.7454    0.0000 C   0  0
    9.1023    0.7546    0.0000 O   0  0
    7.7985   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 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
   -2.5796    7.5040    0.0000 Cl  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
   -2.4133   -1.7530    0.0000 C   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
    5.2004   -2.9933    0.0000 C   0  0
    6.4995   -3.7432    0.0000 C   0  0
    7.7985   -2.9932    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  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 15  1  0
 13 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 10  1  0
 26 22  2  0
  7 27  2  0
 27 28  1  0
 28 29  2  0
 29  5  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13982

> <plate>
PLATE 004

> <well>
E2

> <supplier_cmpd_name>
Telatinib

> <ctcr_id>
4687

> <supplier_cmpd_id>
T6166

> <smiles>
CNC(=O)c1cc(COc2nnc(Nc3ccc(Cl)cc3)c4ccoc24)ccn1

> <pd_targets>
{KDR,FLT4,PDGFRB,KIT}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: P
DGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Signaling by Receptor Tyrosine Kinases","Intracellular signaling by second messengers","Diseases of signal transduction by growth factor receptors and second messengers
","Signaling by VEGF","PIP3 activates AKT signaling","Signaling by KIT in disease","VEGFA-VEGFR2 Pathway","VEGF ligand-receptor interactions","Negative regulation of the PI3K/AKT network","Drug resist
ance of KIT mutants","VEGFR2 mediated cell proliferation","VEGF binds to VEGFR leading to receptor dimerization",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Dasatinib-resistant KIT mutants"}

> <broad_targets>
{KDR}

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

> <synonyms>
{Telatinib,332012-40-5,332012405,"332012 40 5","Bay 57-9352","Bay 579352","Bay 57 9352","Telatinib (BAY 57-9352)","Telatinib (BAY 579352)","Telatinib (BAY 57 9352)",UNII-18P7197Q7J,UNII18P7197Q7J,"UNI
I 18P7197Q7J",BAY-579352,BAY579352,"BAY 579352",T6166,S2231}

> <pdid>
PD010812

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

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

> <pubchem_cids>
{9808844}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 18 20  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 C   0  0
   -3.1904   -2.6376    0.0000 C   0  0
   -2.1890   -3.7554    0.0000 C   0  0
   -2.6531   -5.1819    0.0000 C   0  0
   -1.6500   -6.2971    0.0000 C   0  0
   -0.1826   -5.9859    0.0000 C   0  0
    0.2816   -4.5595    0.0000 C   0  0
   -0.7215   -3.4443    0.0000 C   0  0
    0.8206   -7.1011    0.0000 F   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248    1.2135    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
  7 16  1  0
 16 17  2  0
 16 18  1  0
 18  4  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13983

> <plate>
PLATE 004

> <well>
E3

> <supplier_cmpd_name>
SU 5205

> <ctcr_id>
12218

> <supplier_cmpd_id>
T3566

> <smiles>
c1ccc2c(c1)/C(=C\c1ccc(cc1)F)/C(=O)N2

> <pd_targets>
{MAOA,KDR}

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

> <pathway_chembl>
{Enzymes,"Catecholamine turnover",Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type IV RTKs: VEGF (vascular endothelial growth factor) r
eceptor family"}

> <pathway_reactome>
{Metabolism,"Biological oxidations","Phase I - Functionalization of compounds","Amine Oxidase reactions","Biogenic amines are oxidatively deaminated to aldehydes by MAOA and MAOB","Signal Transduction
","Signaling by Receptor Tyrosine Kinases","Signaling by VEGF","VEGFA-VEGFR2 Pathway","VEGFR2 mediated cell proliferation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{3-(4-Fluorobenzylidene)-2-indolinone,3(4Fluorobenzylidene)2indolinone,3476-86-6,3476866,Cyto2A8,"3-((4-fluorophenyl)methylidene)-2,3-dihydro-1H-indol-2-one","3((4fluorophenyl)methylidene)2,3dihydro1H
indol2one",CHEMBL510513,SCHEMBL16442342,ZINC12339634,AKOS001294952,CCG-274043,CCG274043,AB00760783-01,AB0076078301,T3566,"SU 5205"}

> <pdid>
PD065044

> <targets>
{VEGFR2}

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

> <pubchem_cids>
{5713383}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 30 35  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -5.1962    1.5000    0.0000 O   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.6011   -3.0008    0.0000 N   0  0
   -1.3034   -3.7547    0.0000 C   0  0
    0.0488   -3.7791    0.0000 C   0  0
    0.7466   -4.8860    0.0000 N   0  0
    0.4044   -6.4977    0.0000 C   0  0
   -1.0330   -6.5013    0.0000 C   0  0
   -0.5907   -4.9503    0.0000 C   0  0
    1.1704   -4.4619    0.0000 C   0  0
    2.3234   -4.6798    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1968   -1.5004    0.0000 C   0  0
   -6.5492   -0.8815    0.0000 N   0  0
   -7.5504   -1.9974    0.0000 C   0  0
   -9.0504   -1.9998    0.0000 C   0  0
   -9.7983   -3.3000    0.0000 C   0  0
   -9.0462   -4.5979    0.0000 C   0  0
   -7.5462   -4.5955    0.0000 C   0  0
   -6.7983   -3.2953    0.0000 C   0  0
   -5.3323   -2.9815    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 12  1  0
 17 18  1  0
 18 19  1  0
 19 14  1  0
 10 20  1  0
 20  5  1  0
 20 21  2  0
 21  2  1  0
  9 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 29 30  1  0
 30 22  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13984

> <plate>
PLATE 004

> <well>
E4

> <supplier_cmpd_name>
CHIR-124

> <ctcr_id>
6676

> <supplier_cmpd_id>
T6350

> <smiles>
Clc1ccc2NC(=O)C(=C(NC3CN4CCC3CC4)c2c1)c5[nH]c6ccccc6n5

> <pd_targets>
{CHEK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","CAMK protein kinase group","CAMK protein kinase CAMK1 family","CAMK protein kinase CHK1 subfamily"}

> <pathway_chembl>
{Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmodulin-dependent protein kinases","CAMK-like (CAMKL) family","CHK1 subfamily"}

> <pathway_reactome>
{"DNA Repair","DNA Double-Strand Break Repair","Homology Directed Repair","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","HDR through Homologous Recombination (HRR)","Ho
mologous DNA Pairing and Strand Exchange","Presynaptic phase of homologous DNA pairing and strand exchange"}

> <broad_targets>
{CHEK1}

> <broad_moa>
{"CHK inhibitor"}

> <synonyms>
{HIR12,SCHEMBL15105373,HMS3656F13,FT-0771009,FT0771009,T6350,S2683,CHIR-124}

> <pdid>
PD005860

> <targets>
{Chk}

> <classes>
{"Cell Cycle"}

> <pubchem_cids>
{135674135}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 33 38  0  0  0  0            999 V2000
   -6.7067   -5.4806    0.0000 C   0  0
   -6.0010   -6.8043    0.0000 C   0  0
   -4.7268   -6.0836    0.0000 N   0  0
   -5.3830   -4.7750    0.0000 C   0  0
   -3.2902   -6.5179    0.0000 C   0  0
   -2.1996   -5.4957    0.0000 C   0  0
   -0.7002   -5.5411    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1541   -3.9964    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 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    3.8813   -1.4408    0.0000 C   0  0
    4.9619   -2.4739    0.0000 C   0  0
    6.4015   -2.0524    0.0000 C   0  0
    6.7561   -0.5949    0.0000 C   0  0
    5.6713    0.4410    0.0000 C   0  0
    4.2318    0.0194    0.0000 C   0  0
    7.4890   -3.0866    0.0000 O   0  0
    8.9288   -2.6628    0.0000 C   0  0
   10.0163   -3.6970    0.0000 C   0  0
   11.4559   -3.2755    0.0000 C   0  0
   12.5408   -4.3114    0.0000 C   0  0
   12.1862   -5.7688    0.0000 C   0  0
   10.7466   -6.1904    0.0000 C   0  0
    9.6617   -5.1546    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  1  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  6  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 13  1  0
 18 10  1  0
 14 19  1  0
 12 20  1  0
 20 21  2  3
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  3
 25 20  1  0
 22 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  2  3
 31 32  1  0
 32 33  2  3
 33 28  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13985

> <plate>
PLATE 004

> <well>
E5

> <supplier_cmpd_name>
NVP-AEW541

> <ctcr_id>
7088

> <supplier_cmpd_id>
T6080

> <smiles>
C1CN(C1)CC2CC(C2)N3C=C(C4=C(N=CN=C43)N)C5=CC(=CC=C5)OCC6=CC=CC=C6

> <pd_targets>
{IGF1R,INSR,KIT,AURKA,FLT3,FLT1,CHEK2,PRKD2,RPS6KB1,MARK3,MARK2,CDC42BPA,LIMK1,KDR,LCK,FGFR1,ERBB4,BLK,SRC,STK3,CSNK1D,ROCK2,FLT4,LYN,ROCK1,PLK4,CSF1R,PRKCD,AURKB,NEK2,ACVR1,PDPK1,PIK3CG,FGFR4,EGFR,PD
GFRA,FGFR2,RET,GSC2,KCNH2,BTK}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase InsR family","Other protein kinase group","CAMK protein kinase group","AGC protein kinase group","TKL protein kinase 
group","STE protein kinase group","CK1 protein kinase group","Tyrosine protein kinase PDGFR family","Other protein kinase AUR family","Tyrosine protein kinase VEGFR family","CAMK protein kinase RAD53 
family","CAMK protein kinase PKD family","AGC protein kinase RSK family","CAMK protein kinase CAMK1 family","AGC protein kinase DMPK family","TKL protein kinase LISK family","Tyrosine protein kinase S
rc family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase EGFR family","STE protein kinase STE20 family","CK1 protein kinase CK1 family","Other protein kinase PLK family","AGC protein 
kinase PKC family","Other protein kinase NEK family","AGC protein kinase p70 subfamily","CAMK protein kinase MARK subfamily","AGC protein kinase GEK subfamily","TKL protein kinase LIMK subfamily","STE
 protein kinase MST subfamily","AGC protein kinase ROCK subfamily","AGC protein kinase PKC delta subfamily","Ion channel",Transferase,"Voltage-gated ion channel","Potassium channels","Voltage-gated po
tassium channel","TKL protein kinase STKR family","AGC protein kinase PDK1 subfamily","Tyrosine protein kinase Ret family","Tyrosine protein kinase Tec family","TKL protein kinase STKR1"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type II RTKs: Insulin receptor family",Enzymes,"Kinases (EC 2.7.x.x)","CAMK: Calcium/calmo
dulin-dependent protein kinases","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CK1: Casein kinase 1","Other protein kinases","CAMK-like
 (CAMKL) family","Protein kinase D (PKD) family","RSK family","DMPK family","TKL: Tyrosine kinase-like","STE20 family","Casein kinase 1 (CK1) family","Protein kinase C (PKC) family","Aurora kinase (Au
r) family","CHK1 subfamily","p70 subfamily","MARK subfamily","GEK subfamily","LIM domain kinase (LISK) family","Non-receptor tyrosine kinases (nRTKs)","MST subfamily","Rho kinase","Polo-like kinase (P
LK) family","Delta subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type IV RTKs: VEGF (vascular endothelial growth fact
or) receptor family","LIMK subfamily","Src family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Ion channels","Voltage-g
ated ion channels","Lipid modifying kinases","Potassium channels","PDK1 family",Phosphatidylinositol-4,"5-bisphosphate 3-kinase family","Voltage-gated potassium channels","Receptor serine/threonine ki
nase (RSTK) family","Type I receptor serine/threonine kinases","Type XIV RTKs: RET","Tec family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Intracellular signaling by second messengers","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","PIP3 activates AKT s
ignaling","IGF1R signaling cascade","Negative regulation of the PI3K/AKT network","IRS-related events triggered by IGF1R",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling",Disease,"Gene expression (Tra
nscription)",Metabolism,"Developmental Biology","Neuronal System","Cell Cycle","Diseases of signal transduction by growth factor receptors and second messengers","RNA Polymerase II Transcription","Met
abolism of lipids","MTOR signalling","Nervous system development","Infectious disease","Transmission across Chemical Synapses","Signaling by Hippo",Mitotic,"Signaling by KIT in disease","Generic Trans
cription Pathway","Signaling by Insulin receptor","Signaling by VEGF","Sphingolipid metabolism","mTORC1-mediated signalling","Oncogenic MAPK signaling","Axon guidance","HIV Infection","Signaling by FG
FR in disease","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by NTRKs","Mitotic G2-G2/M phases","Leishmania infection","DAG and IP3 signaling","M Phase","Regulation of m
itotic cell cycle","Drug resistance of KIT mutants","Transcriptional Regulation by TP53","Insulin receptor signalling cascade","VEGF ligand-receptor interactions","Sphingolipid de novo biosynthesis","
Signaling by RAS mutants","Semaphorin interactions","VEGFA-VEGFR2 Pathway","Host Interactions of HIV factors","Signaling by FGFR1 in disease","Activation of NMDA receptors and postsynaptic events","Tr
anscriptional regulation by RUNX1","Signaling by NTRK1 (TRKA)","G2/M Transition","Leishmania parasite growth and survival","Transcriptional Regulation by VENTX","CaM pathway","Mitotic Metaphase and An
aphase","APC/C-mediated degradation of cell cycle proteins","Dasatinib-resistant KIT mutants","Regulation of TP53 Activity","IRS-mediated signalling","VEGF binds to VEGFR leading to receptor dimerizat
ion","Signaling downstream of RAS mutants","Sema4D in semaphorin signaling","VEGFR2 mediated cell proliferation","The role of Nef in HIV-1 replication and disease pathogenesis","FGFR1 mutant receptor 
activation","Post NMDA receptor activation events","RUNX1 regulates transcription of genes involved in BCR signaling","Signalling to ERKs","Centrosome maturation","Anti-inflammatory response favouring
 Leishmania parasite infection","Calmodulin induced events","Mitotic Anaphase","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity through Phosp
horylation","PI3K Cascade","Regulation of TP53 Expression and Degradation","Sema4D induced cell migration and growth-cone collapse","Nef-mediates down modulation of cell surface receptors by recruitin
g them to clathrin adapters","Signaling by activated point mutants of FGFR1","Long-term potentiation","Signalling to RAS","Loss of proteins required for interphase microtubule organization from the ce
ntrosome","FCGR3A-mediated IL10 synthesis","Separation of Sister Chromatids","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Degradation","Nef Mediated CD4 Down-regulation",
"p38MAPK events","Loss of Nlp from mitotic centrosomes","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","APC-Cdc20 mediated degradation of Nek
2A","Muscle contraction","Signaling by GPCR","Cardiac conduction","Phospholipid metabolism","Signaling by FGFR","GPCR downstream signalling","Signaling by PDGFR in disease","Phase 3 - rapid repolarisa
tion","PI Metabolism","Signaling by FGFR4","G alpha (q) signalling events","Drug resistance of PDGFR mutants","Signaling by FGFR2 in disease","RET signaling","Parasite infection","Synthesis of PIPs at
 the plasma membrane","Downstream signaling of activated FGFR4","Gastrin-CREB signalling pathway via PKC and MAPK","Imatinib-resistant PDGFR mutants","FGFR2 mutant receptor activation","Leishmania pha
gocytosis","FRS-mediated FGFR4 signaling","EGFR Transactivation by Gastrin","Activated point mutants of FGFR2","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{IGF1R,INSR}

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

> <synonyms>
{NVP-AEW541,NVPAEW541,"NVP AEW541",475489-16-8,475489168,"475489 16 8",AEW-541,AEW541,"AEW 541",475488-34-7,475488347,"475488 34 7","NVP-AEW 541","NVPAEW 541","NVP AEW 541",UNII-97QB5037VR,UNII97QB503
7VR,"UNII 97QB5037VR",CHEMBL1614712,"AEW-541 free","AEW541 free",S1034}

> <pdid>
PD003220

> <targets>
{IGF-1R}

> <classes>
{}

> <pubchem_cids>
{11476171}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 43 48  0  0  1  0            999 V2000
    2.4192   -8.3243    0.0000 C   0  0
    1.2028   -7.4466    0.0000 C   0  0
    1.1979   -5.9466    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
   -0.0059   -1.5004    0.0000 C   0  0
   -1.3785   -0.8955    0.0000 O   0  0
    1.2903   -0.7456    0.0000 N   0  0
    2.4080   -1.7447    0.0000 C   0  0
    3.8992   -1.5823    0.0000 C   0  0
    4.7854   -2.7925    0.0000 C   0  0
    4.1805   -4.1651    0.0000 C   0  0
    2.6893   -4.3275    0.0000 C   0  0
    1.8030   -3.1173    0.0000 C   0  0
    5.0672   -5.3760    0.0000 S   0  0
    4.4618   -6.7484    0.0000 O   0  0
    5.9528   -6.5866    0.0000 O   0  0
    6.5593   -5.2145    0.0000 C   0  0
    7.4460   -6.4253    0.0000 C   0  0
    8.9376   -6.2660    0.0000 C   0  0
    9.5453   -4.8947    0.0000 Cl  0  0
    9.8213   -7.4780    0.0000 C   0  0
    9.2136   -8.8494    0.0000 C   0  0
    7.7221   -9.0088    0.0000 C   0  0
    6.8383   -7.7968    0.0000 C   0  0
    5.3468   -7.9562    0.0000 Cl  0  0
   -1.1079   -6.7042    0.0000 C   0  0
   -2.6079   -6.7003    0.0000 C   0  0
   -0.2222   -7.9149    0.0000 C   0  0
   -0.6776   -9.3422    0.0000 C   0  0
   -2.1432   -9.6615    0.0000 O   0  0
    0.3320  -10.4528    0.0000 N   0  0
    1.8079  -10.2697    0.0000 C   0  0
    2.4273  -11.6359    0.0000 C   0  0
    1.3194  -12.6471    0.0000 C   0  0
    0.0153  -11.9060    0.0000 C   0  0  2  0  0  0
   -1.3526  -12.5170    0.0000 C   0  0
   -1.5087  -14.0096    0.0000 N   0  0
   -2.8035  -14.7413    0.0000 C   0  0
   -2.4879  -16.2077    0.0000 C   0  0
   -0.9957  -16.3606    0.0000 C   0  0
   -0.3891  -14.9887    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15  6  1  0
 15 10  1  0
 13 16  1  0
 16 17  2  0
 16 18  2  0
 16 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 20  1  0
 26 27  1  0
  4 28  2  0
 28 29  1  0
 28 30  1  0
 30  2  2  0
 30 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 36 37  1  0
 37 33  1  0
 37 38  1  6
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 43  1  0
 43 39  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13986

> <plate>
PLATE 004

> <well>
E6

> <supplier_cmpd_name>
PHA-665752

> <ctcr_id>
7744

> <supplier_cmpd_id>
T6128

> <smiles>
Cc1[nH]c(\C=C/2\C(=O)Nc3ccc(cc23)S(=O)(=O)Cc4c(Cl)cccc4Cl)c(C)c1C(=O)N5CCC[C@@H]5CN6CCCC6

> <pd_targets>
{CLK3,HIPK2,NUAK2,DCLK3,MAP2K5,MET,SRC,CLK1,NTRK3,CDK4,DDR1,PAK1,TYK2,CAMK1,CASK,PRPF4B,FLT3,MST1R,KDR,ABL1,KIT,STK10,CDK16,CAMKK2,CDK14,INSRR,BMP2K,PAK5,HIPK1,GAK,YES1,RPS6KA6,MYLK,CDK15,MAP4K4,EIF2A
K4,BMPR2,CDK7,PDGFRB,GRK1,MAP4K3,RIPK1,RPS6KA3,DCLK1,ROCK2,NTRK1,MAP4K1,PIP5K1A,CSNK2A2,JAK1,NEK2,PIP4K2B,FGFR1,FGFR3,INSR,AURKC,DDR2,STK3,MAP4K5,HUNK,SLK,RET,NIM1K,CAMK2G,MAK,PRKAA2,TBK1,NUAK1,TNIK,M
AP3K19,CAMKK1,MYLK2,CSNK1D,GRK7,HIPK4,MAP3K7,CAMK2A,PTK2B,CSNK1E,MAP3K3,CDK18,ULK1,STK17B,ABL2,PHKG2,MAPK7,MAP2K1,RIOK3,CDKL2,RPS6KA5,CSF1R,NTRK2,PHKG1,PLK2,CILK1,TAOK3,TAOK1,MAP2K2,AURKB,JAK3,TEK,CDK
9,AXL,BLK,PAK3,ROS1,ALK,EPHB6,STK17A,MAP3K4,PDGFRA,IRAK3,IKBKE,SRPK3,ULK2,IRAK4,EPHA8,RIOK1,TSSK1B,SRPK2,STK16,STK11,TYRO3,MAP3K2,PLK4,MARK2,FGFR2,STK33,PTK2,MINK1,DCLK2,IRAK1,FLT4,RPS6KB1,CLK2,MAP3K1
3,JAK2,FGR,SRPK1,MAP4K2,EGFR,MERTK,CAMK2D,PRKAA1,CDK17,LCK,TIE1,HIPK3,MAP3K12,AAK1,SIK2,TAOK2,STK26,CAMK1D,GRK4}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","CMGC protein kinase group","CAMK protein kinase group","STE protein kinase group","TK protein kinase group","Other protein kinase group","AGC pr
otein kinase group","TKL protein kinase group","CK1 protein kinase group","Atypical protein kinase group","CMGC protein kinase CLK family","CMGC protein kinase DYRK family","CAMK protein kinase CAMK1 
family","CAMK protein kinase DCAMK1 family","STE protein kinase STE7 family","Tyrosine protein kinase Met family","Tyrosine protein kinase Src family","Tyrosine protein kinase Trk family","Tyrosine pr
otein kinase DDR family","STE protein kinase STE20 family","Tyrosine protein kinase JakA family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase 
Abl family","CMGC protein kinase CDK family","Other protein kinase CAMKK family","Tyrosine protein kinase InsR family","Other protein kinase NAK family","AGC protein kinase RSK family","CAMK protein k
inase MLCK family","Other protein kinase PEK family","TKL protein kinase STKR family","AGC protein kinase GRK family","TKL protein kinase RIPK family","AGC protein kinase DMPK family","Other protein k
inase CK2 family","Other protein kinase NEK family","Tyrosine protein kinase FGFR family","Other protein kinase AUR family","Tyrosine protein kinase Ret family","CAMK protein kinase CAMK2 family","CMG
C protein kinase RCK family","Other protein kinase IKK family","STE protein kinase STE11 family","CK1 protein kinase CK1 family","TKL protein kinase MLK family","Tyrosine protein kinase Fak family","O
ther protein kinase ULK family","CAMK protein kinase DAPK family","CAMK protein kinase PHk family","CMGC protein kinase MAPK family","Atypical protein kinase RIO family","CMGC protein kinase CDKL fami
ly","Other protein kinase PLK family","Tyrosine protein kinase Tie family","Tyrosine protein kinase Axl family","Tyrosine protein kinase Sev family","TKL protein kinase IRAK family","CMGC protein kina
se SRPK family","Tyrosine protein kinase Eph family","CAMK protein kinase TSSK family","CAMK protein kinase unique family","Tyrosine protein kinase EGFR family","CMGC protein kinase HIPK subfamily","C
AMK protein kinase NuaK subfamily","STE protein kinase PAKA subfamily","STE protein kinase SLK subfamily","CMGC protein kinase TAIRE subfamily","Other protein kinase Meta subfamily","CMGC protein kina
se PFTAIRE","STE protein kinase PAKB subfamily","AGC protein kinase RSK subfamily","STE protein kinase MSN subfamily","Other protein kinase GCN2 subfamily","TKL protein kinase STKR Type 2 subfamily","
CMGC protein kinase CDK7 subfamily","AGC protein kinase GRK subfamily","STE protein kinase KHS subfamily","AGC protein kinase ROCK subfamily","STE protein kinase MST subfamily","CAMK protein kinase NI
M1 subfamily","CMGC protein kinase MAK","CAMK protein kinase AMPK subfamily","TKL protein kinase TAK1 subfamily","STE protein kinase MEKK2","CMGC protein kinase PCTAIRE","CMGC protein kinase ERK5","At
ypical protein kinase RIO3 subfamily","AGC protein kinase MSK subfamily","Other protein kinase PLK2","STE protein kinase TAO subfamily","CMGC protein kinase CDK9 subfamily","TKL protein kinase STKR Ty
pe 1 subfamily","Atypical protein kinase RIO1 subfamily","CAMK protein kinase LKB subfamily","CAMK protein kinase MARK subfamily","AGC protein kinase p70 subfamily","TKL protein kinase LZK subfamily",
"CAMK protein kinase QIK subfamily","STE protein kinase YSK subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7",
"Sterile 11","Sterile 20 kinases","Receptor kinases","AGC: Containing PKA",PKG,"PKC families","Lipid modifying kinases","CK1: Casein kinase 1",Atypical,"CLK family","Dual-specificity tyrosine-(Y)-phos
phorylation regulated kinase (DYRK) family","CAMK-like (CAMKL) family","DCAMKL family","STE7 family","TK: Tyrosine kinase","Cyclin-dependent kinase (CDK) family","STE20 family","CAMK1 family","CASK fa
mily","Other protein kinases","RSK family","Myosin Light Chain Kinase (MLCK) family","TKL: Tyrosine kinase-like","G protein-coupled receptor kinases (GRKs)","DMPK family","Type I PIP kinases (1-phosph
atidylinositol-4-phosphate 5-kinase family)","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 4-kinase family)","CAMK2 family","RCK family","Casein kinase 1 (CK1) family","STE11 family","Death
-associated kinase (DAPK) family","Phosphorylase kinase (PHK) family","Mitogen-activated protein kinases (MAP kinases)","RIO family","Cyclin-dependent kinase-like (CDKL) family","SRPK family","Testis 
specific kinase (TSSK) family","CAMK-unique family","HIPK subfamily","NuaK subfamily","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","CDK4 subfamily","PAKA subfamily","PRP4
 subfamily","SLK subfamily","TAIRE subfamily","CAMKK family","Numb-associated kinase (NAK) family","PAKB subfamily","RSK subfamily","MSN subfamily","PEK family","Receptor serine/threonine kinase (RSTK
) family","CDK7 subfamily","Opsin/rhodopsin kinases","KHS subfamily","Receptor interacting protein kinase (RIPK) family","Rho kinase","Casein kinase 2 (CK2) family","NIMA (never in mitosis gene a)- re
lated kinase (NEK) family","Aurora kinase (Aur) family","MST subfamily","HUNK subfamily","NIM1 subfamily","AMPK subfamily","IKK family","STE20 subfamily","Mixed Lineage Kinase (MLK) family","Unc-51-li
ke kinase (ULK) family","ERK subfamily","RIO3 subfamily","MSK subfamily","Polo-like kinase (PLK) family","TAO subfamily","CDK9 subfamily","Interleukin-1 receptor-associated kinase (IRAK) family","RIO1
 subfamily","NAK family","LKB subfamily","MARK subfamily","p70 subfamily","QIK subfamily","YSK subfamily","GRK4 subfamily","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Src family","T
ype VII RTKs: Neurotrophin receptor/Trk family","Type XVI RTKs: DDR (collagen receptor) family","Janus kinase (JakA) family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type IV RTKs: VEGF 
(vascular endothelial growth factor) receptor family","Abl family","Meta subfamily","Type II RTKs: Insulin receptor family","GCN2 subfamily","Type II receptor serine/threonine kinases","Type V RTKs: F
GF (fibroblast growth factor) receptor family","Type XIV RTKs: RET","TAK1 subfamily","Fak family","Type XII RTKs: TIE family of angiopoietin receptors","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) re
ceptor family","Type XVII RTKs: ROS receptors","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XIII RTKs: Ephrin receptor family","LZK subfamily","Type I RTKs: ErbB (epidermal g
rowth factor) receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","Developmental Biology","Cell Cycle","Extracellular matrix organization","Immune System","Neuronal System",Disease,"Vesicle-mediated transport"
,"Cellular responses to external stimuli",Metabolism,Autophagy,"Metabolism of RNA",Hemostasis,"Programmed Cell Death","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Nervou
s system development",Mitotic,"Non-integrin membrane-ECM interactions","Cytokine Signaling in Immune system","Transmission across Chemical Synapses","Infectious disease","Diseases of signal transducti
on by growth factor receptors and second messengers","Innate Immune System","Membrane Trafficking","Signaling by Rho GTPases","Cellular responses to stress","Signaling by TGFB family members","Intrace
llular signaling by second messengers","Signaling by GPCR","Metabolism of lipids","Signaling by Hippo",Macroautophagy,"Metabolism of carbohydrates","rRNA processing","MAPK family signaling cascades","
MTOR signalling","Cell surface interactions at the vascular wall",Apoptosis,"Generic Transcription Pathway","Signaling by NTRKs","Axon guidance","Mitotic G1 phase and G1/S transition","Interferon Sign
aling","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by Insulin receptor","Signaling by MST1","Signaling by VEGF","Leishmania infection","Signaling by KIT in disease","N
eutrophil degranulation","trans-Golgi Network Vesicle Budding","RHO GTPase Effectors","Cellular Senescence","Response of EIF2AK4 (GCN2) to amino acid deficiency","Signaling by BMP","HIV Infection","PI
P3 activates AKT signaling","GPCR downstream signalling","Toll-like Receptor Cascades","Phospholipid metabolism","Regulation of mitotic cell cycle","Signaling by FGFR in disease","Mitotic G2-G2/M phas
es","Signaling by Interleukins","Selective autophagy","Glycogen metabolism","rRNA processing in the nucleus and cytosol","M Phase","MAPK1/MAPK3 signaling","Signaling by PDGFR in disease","mTORC1-media
ted signalling","Clathrin-mediated endocytosis","Apoptotic execution phase","Transcriptional Regulation by TP53","Signaling by NTRK1 (TRKA)","Semaphorin interactions","Signaling by NTRK3 (TRKC)","G1 P
hase","EPH-Ephrin signaling","Interferon alpha/beta signaling","Activation of NMDA receptors and postsynaptic events","Insulin receptor signalling cascade","VEGFA-VEGFR2 Pathway","Parasite infection",
"Drug resistance of KIT mutants","Signaling by ROBO receptors","Golgi Associated Vesicle Biogenesis","Leishmania parasite growth and survival","RHO GTPases activate PAKs","Oxidative Stress Induced Sen
escence","HIV Life Cycle","Negative regulation of the PI3K/AKT network","G alpha (i) signalling events","Toll Like Receptor 4 (TLR4) Cascade","Toll Like Receptor 5 (TLR5) Cascade","PI Metabolism","Ant
iviral mechanism by IFN-stimulated genes","APC/C-mediated degradation of cell cycle proteins","Signaling by FGFR1 in disease","Signaling by FGFR3 in disease","RET signaling","G2/M Transition","Interle
ukin-2 family signaling","Interleukin-1 family signaling",Mitophagy,"Glycogen breakdown (glycogenolysis)","Major pathway of rRNA processing in the nucleolus and cytosol","Transcriptional Regulation by
 VENTX","Mitotic Metaphase and Anaphase","RAF/MAP kinase cascade","Transcriptional regulation by RUNX1","Drug resistance of PDGFR mutants","Toll Like Receptor 2 (TLR2) Cascade","Signaling by FGFR2 in 
disease","VEGF ligand-receptor interactions","G alpha (q) signalling events","Host Interactions of HIV factors","Cargo recognition for clathrin-mediated endocytosis","Apoptotic cleavage of cellular pr
oteins","Regulation of TP53 Activity","Signalling to ERK5","Sema4D in semaphorin signaling","Signalling to ERKs","Activated NTRK3 signals through PI3K","Cyclin D associated events in G1","EPHB-mediate
d forward signaling","Regulation of IFNA signaling","Post NMDA receptor activation events","Assembly and cell surface presentation of NMDA receptors","IRS-mediated signalling","VEGFR2 mediated cell pr
oliferation","Leishmania phagocytosis","Dasatinib-resistant KIT mutants","Activation of RAC1","Anti-inflammatory response favouring Leishmania parasite infection","Late Phase of HIV Life Cycle",PI5P,"
PP2A and IER3 Regulate PI3K/AKT Signaling","Visual phototransduction","MyD88-independent TLR4 cascade","MyD88 cascade initiated on plasma membrane","Synthesis of PIPs at the plasma membrane","ISG15 an
tiviral mechanism","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","FGFR1 mutant receptor activation","Signaling by FGFR3 point mutants in cancer","Centrosome maturation
","Interleukin-2 signaling","Interleukin-1 signaling","Receptor Mediated Mitophagy","Role of ABL in ROBO-SLIT signaling","Activation of TRKA receptors","Mitotic Anaphase","Interleukin-15 signaling","R
UNX1 regulates transcription of genes involved in BCR signaling","Ephrin signaling","Imatinib-resistant PDGFR mutants","Toll Like Receptor TLR6:TLR2 Cascade","EPHA-mediated growth cone collapse","FGFR
2 mutant receptor activation","VEGF binds to VEGFR leading to receptor dimerization","Gastrin-CREB signalling pathway via PKC and MAPK","The role of Nef in HIV-1 replication and disease pathogenesis",
"Regulation of TP53 Activity through Phosphorylation","Sema4D mediated inhibition of cell attachment and migration","Signalling to RAS","Activation of RAC1 downstream of NMDARs","PI3K Cascade","FCGR3A
-mediated phagocytosis","Activation of AMPK downstream of NMDARs","FCGR3A-mediated IL10 synthesis","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Transcription of 
the HIV genome","The phototransduction cascade","TRIF(TICAM1)-mediated TLR4 signaling","MAP kinase activation","Sema4D induced cell migration and growth-cone collapse","Prolonged ERK activation events
","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity through Acetylation","Signaling by activated point mutants of FGFR1","FGFR3 mutant receptor activation","Loss of p
roteins required for interphase microtubule organization from the centrosome","NGF-independant TRKA activation","CD163 mediating an anti-inflammatory response","Separation of Sister Chromatids","MyD88
:MAL(TIRAP) cascade initiated on plasma membrane","Activated point mutants of FGFR2","EGFR Transactivation by Gastrin","Nef-mediates down modulation of cell surface receptors by recruiting them to cla
thrin adapters","p38MAPK events","RSK activation","HIV Transcription Elongation",Inactivation,"recovery and regulation of the phototransduction cascade","IKK complex recruitment mediated by RIP1","MAP
K targets/ Nuclear events mediated by MAP kinases","ARMS-mediated activation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","PI5P Regulates 
TP53 Acetylation","Signaling by activated point mutants of FGFR3","Ras activation upon Ca2+ influx through NMDA receptor","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Loss of Nlp from mitot
ic centrosomes","TRAF6-mediated induction of TAK1 complex within TLR4 complex","Frs2-mediated activation","activated TAK1 mediates p38 MAPK activation","Nef Mediated CD4 Down-regulation","Tat-mediated
 elongation of the HIV-1 transcript","CREB phosphorylation","APC-Cdc20 mediated degradation of Nek2A","ERK/MAPK targets","Formation of HIV-1 elongation complex containing HIV-1 Tat","ERKs are inactiva
ted"}

> <broad_targets>
{MET}

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

> <synonyms>
{SCHEMBL93657,CHEBI:91394,ZINC33359844,S1070,PHA-665752}

> <pdid>
PD013025

> <targets>
{c-Met}

> <classes>
{}

> <pubchem_cids>
{87065666}

$$$$
TargetMol_L2200_Tyrosine kinase 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
   -2.5981   -1.5000    0.0000 O   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -3.8976    0.7553    0.0000 O   0  0
   -2.5951    3.0039    0.0000 C   0  0
   -3.8933    3.7570    0.0000 C   0  0
   -3.8912    5.2578    0.0000 C   0  0
   -5.1876    6.0124    0.0000 C   0  0
   -5.1824    7.5124    0.0000 C   0  0
   -3.8808    8.2579    0.0000 C   0  0
   -3.8756    9.7579    0.0000 O   0  0
   -2.5844    7.5034    0.0000 C   0  0
   -1.2828    8.2489    0.0000 O   0  0
   -2.5896    6.0034    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  2  1  0
  5  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 16 18  1  0
 18 19  1  0
 18 20  2  0
 20 13  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13987

> <plate>
PLATE 004

> <well>
E7

> <supplier_cmpd_name>
Butein

> <ctcr_id>
7365

> <supplier_cmpd_id>
T6427

> <smiles>
Oc1ccc(c(O)c1)C(=O)\C=C\c2ccc(O)c(O)c2

> <pd_targets>
{FABI,EGFR,SRC,ACE,HSD17B2,XDH,POL,AKR1B1,CDK2,BACE1,ALOX5,PTGS1,PTGS2,NFKB1,NFKB2,RELA}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein",Kinase,Protease,Oxidoreductase,Hydrolase,"Protein Kinase","Metallo protease","Aspartic protease","TK protein kinase group","Metallo protease MAE clan","CMGC protein k
inase group","Aspartic protease AA clan","Tyrosine protein kinase EGFR family","Tyrosine protein kinase Src family","Metallo protease M2 family","CMGC protein kinase CDK family","Aspartic protease A1A
 subfamily","CMGC protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Peptidases and proteinases","1.-.-.- Oxidoreductases","Kinases (EC 2.7.x.x)","Eicosanoid turnover","Receptor kinases","MA: Metallo (M) Peptidases","CMGC: Cont
aining CDK",MAPK,GSK3,"CLK families","AA: Aspartic (A) Peptidases",Lipoxygenases,"TK: Tyrosine kinase","M2: Angiotensin-converting  (ACE and ACE2)","Cyclin-dependent kinase (CDK) family","A1: Pepsin",
"Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","CDK1 subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Src family"}

> <pathway_reactome>
{"Signal Transduction","Metabolism of proteins",Metabolism,"Gene expression (Transcription)","Signaling by GPCR","Signaling by Receptor Tyrosine Kinases","Peptide hormone metabolism","Metabolism of li
pids","Metabolism of nucleotides","RNA Polymerase II Transcription","Amyloid fiber formation","GPCR downstream signalling","Signaling by NTRKs","Metabolism of Angiotensinogen to Angiotensins","Metabol
ism of steroids","Nucleobase catabolism","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (SPMs)","G alpha (q) signalling events","Signaling by NTRK1 (TRKA)","Metabo
lism of steroid hormones","Purine catabolism","Transcriptional Regulation by TP53","Biosynthesis of DPA-derived SPMs","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to ERKs","Estrogen 
biosynthesis","Pregnenolone biosynthesis","Regulation of TP53 Activity","Biosynthesis of DPAn-3 SPMs","EGFR Transactivation by Gastrin","Signalling to RAS","Regulation of TP53 Expression and Degradati
on","Biosynthesis of DPAn-3-derived 13-series resolvins","p38MAPK events","Regulation of TP53 Degradation"}

> <broad_targets>
{ACE}

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

> <synonyms>
{butein,487-52-5,487525,"2',3,4,4'-Tetrahydroxychalcone","2',3,4,4'Tetrahydroxychalcone","2',4',3,4-Tetrahydroxychalcone","2',4',3,4Tetrahydroxychalcone","3,4,2',4'-Tetrahydroxychalcone","3,4,2',4'Tet
rahydroxychalcone",UNII-4WVS5M0LGF,UNII4WVS5M0LGF,"(E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one","(E)1(2,4dihydroxyphenyl)3(3,4dihydroxyphenyl)prop2en1one",4WVS5M0LGF,CHEBI:3237,
CHEMBL128000,(2E)-1-(2,(2E)1(2,4-d,4d,T6427,S8036,Butein}

> <pdid>
PD010472

> <targets>
{EGFR}

> <classes>
{}

> <pubchem_cids>
{5281222}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 20 22  0  0  0  0            999 V2000
    2.6531  -10.0886    0.0000 C   0  0
    1.1844   -9.7837    0.0000 N   0  0
    0.1863  -10.9034    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
   -0.2234   -5.5086    0.0000 C   0  0
    1.2449   -5.8157    0.0000 C   0  0
    1.7131   -7.2408    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    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
  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
  7 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
 19 20  2  0
 20 11  1  0
 20 15  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13988

> <plate>
PLATE 004

> <well>
E8

> <supplier_cmpd_name>
NSC 86429

> <ctcr_id>
7682

> <supplier_cmpd_id>
T3570

> <smiles>
CN(C)c1ccc(cc1)\C=C2/C(=O)Nc3ccccc23

> <pd_targets>
{CSF1R,APP,FLT1,MAPT,GMNN,LMNA,RAB9A,SNCA,NPC1,PDGFRB,KMT2A,MEN1,ALDH1A1,FFP,FTL,NPSR1,HPGD,SMN1,RORC,MAPK1,BLM,NFO,PMP22,MTOR,EPHB2,PKM,THPO,CYP1A2,AMPC,CTRC,PYK,LEF,CHRM1,CYP3A4,CYP2C9,TSHR,TP53,CYP
2D6,KDR,CYP2C19}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor","Other cytosolic protein","Unclassified protein","Other nuclear protein",Transporter,"Epigenetic regulator","Transcription factor",Kinase,Oxidoreductase,Hydrolase,Reader,Tr
ansferase,"Family A G protein-coupled receptor","Nuclear receptor","Protein Kinase",Bromodomain,"Peptide receptor (family A GPCR)","Methyl-lysine/arginine binding protein","Nuclear hormone receptor su
bfamily 1","TK protein kinase group","Short peptide receptor (family A GPCR)","Tudor domain","Nuclear hormone receptor subfamily 1 group F","CMGC protein kinase group","Atypical protein kinase group",
"Tyrosine protein kinase PDGFR family","Tyrosine protein kinase VEGFR family","Neuropeptide receptor","Nuclear hormone receptor subfamily 1 group F member 3","CMGC protein kinase MAPK family","Atypica
l protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily","Cytochrome P450",Protease,"Cytochrome P450 family 1","Serine protease","Metallo protease","Small mole
cule receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 2","Cytochrome P450 family 1A","Serine protease PA clan","Metallo protease MAE clan","Monoamine receptor","Cytochrome 
P450 family 3A","Cytochrome P450 family 2C","Glycohormone receptor","Cytochrome P450 family 2D","Tyrosine protein kinase Eph family","Cytochrome P450 1A1","Serine protease S1A subfamily","Metallo prot
ease M34 family","Acetylcholine receptor","Cytochrome P450 3A4","Cytochrome P450 2C9","Cytochrome P450 2D6","Cytochrome P450 2C19"}

> <pathway_chembl>
{Receptors,Transporters,Enzymes,"Catalytic receptors","SLC superfamily of solute carriers","G protein-coupled receptors","Eicosanoid turnover","Nuclear hormone receptors","Kinases (EC 2.7.x.x)","Recep
tor kinases","SLC65 NPC-type cholesterol transporters","Neuropeptide S receptor","Prostaglandin synthases","1F. Retinoic acid-related orphans","CMGC: Containing CDK",MAPK,GSK3,"CLK families",Atypical,
"TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Receptor tyrosine kinases (RTKs)","ERK subfamily","FRAP subfami
ly","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","2.7.1.40 Pyruvate kinases","Cytochrome P450","Peptidases and prote
inases","CYP1 family","PA: Serine (S) Peptidases","Acetylcholine receptors (muscarinic)","CYP3 family","CYP2 family: drug metabolising subset","Glycoprotein hormone receptors","S1: Chymotrypsin","Type
 XIII RTKs: Ephrin receptor family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","Signal Transduction","Neuronal System","Cell Cycle","Metabolism of proteins","Transport of small molecules",Metabolism,"Vesicle-mediated transport",
Disease,"Metabolism of RNA","DNA Repair","Developmental Biology","RNA Polymerase II Transcription","Innate Immune System","Signaling by Receptor Tyrosine Kinases","Transmission across Chemical Synapse
s",Mitotic,"Signaling by Rho GTPases","Amyloid fiber formation","Plasma lipoprotein assembly",remodeling,"and clearance","Intracellular signaling by second messengers","Biological oxidations","Membran
e Trafficking","Infectious disease","Metabolism of lipids","Metabolism of non-coding RNA","DNA Double-Strand Break Repair","Nervous system development","Generic Transcription Pathway","Toll-like Recep
tor Cascades","Signaling by VEGF","Neurotransmitter receptors and postsynaptic signal transmission","Mitotic G1 phase and G1/S transition","M Phase","Rho GTPase cycle","Plasma lipoprotein clearance","
PIP3 activates AKT signaling","Phase I - Functionalization of compounds","trans-Golgi Network Vesicle Budding","Leishmania infection","Biosynthesis of specialized proresolving mediators (SPMs)","snRNP
 Assembly","Homology Directed Repair","EGR2 and SOX10-mediated initiation of Schwann cell myelination","Transcriptional Regulation by VENTX","Toll Like Receptor 5 (TLR5) Cascade","VEGF ligand-receptor
 interactions","Activation of NMDA receptors and postsynaptic events","G1/S Transition","Mitotic Metaphase and Anaphase","RHOBTB GTPase Cycle","LDL clearance","Negative regulation of the PI3K/AKT netw
ork","Ethanol oxidation","Golgi Associated Vesicle Biogenesis","Leishmania parasite growth and survival","Biosynthesis of DHA-derived SPMs","Transcriptional regulation by RUNX3","HDR through Homologou
s Recombination (HRR) or Single Strand Annealing (SSA)","Transcriptional Regulation by TP53","MyD88 cascade initiated on plasma membrane","VEGF binds to VEGFR leading to receptor dimerization","Post N
MDA receptor activation events","Activation of the pre-replicative complex","Mitotic Anaphase","RHOBTB3 ATPase cycle",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Anti-inflammatory response favou
ring Leishmania parasite infection","Biosynthesis of D-series resolvins","RUNX3 Regulates Immune Response and Cell Migration","HDR through Homologous Recombination (HRR)","Regulation of TP53 Activity"
,"TAK1 activates NFkB by phosphorylation and activation of IKKs complex","Activation of AMPK downstream of NMDARs","Nuclear Envelope (NE) Reassembly","ADORA2B mediated anti-inflammatory cytokines prod
uction","MAP kinase activation","Homologous DNA Pairing and Strand Exchange","Regulation of TP53 Expression and Degradation","Initiation of Nuclear Envelope (NE) Reformation","MAPK targets/ Nuclear ev
ents mediated by MAP kinases","Presynaptic phase of homologous DNA pairing and strand exchange","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated",Hemostasis,"Metabolism of car
bohydrates","Platelet activation","signaling and aggregation","Metabolism of vitamins and cofactors","Signaling by GPCR","Cell Cycle Checkpoints","Axon guidance","Glucose metabolism","Platelet Aggrega
tion (Plug Formation)","Metabolism of water-soluble vitamins and cofactors","Uptake and actions of bacterial toxins","GPCR ligand binding","G1/S DNA Damage Checkpoints","EPH-Ephrin signaling",Glycolys
is,"Cytochrome P450 - arranged by substrate type","Cobalamin (Cbl","vitamin B12) transport and metabolism","Uptake and function of anthrax toxins","Class A/1 (Rhodopsin-like receptors)","p53-Dependent
 G1/S DNA damage checkpoint","VEGFA-VEGFR2 Pathway","EPHB-mediated forward signaling",Xenobiotics,"Amine ligand-binding receptors","Biosynthesis of maresins","p53-Dependent G1 DNA Damage Response","VE
GFR2 mediated cell proliferation","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Muscarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","CYP2E1 reactions","Stabil
ization of p53","Autodegradation of the E3 ubiquitin ligase COP1"}

> <broad_targets>
{KDR,PDGFRB}

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

> <synonyms>
{HMS3412D03,HMS3676D03,BCP20743,Tox21_501121,Tox21501121,Tox21-501121,"Tox21 501121",NSC-86429,NSC86429,STK946565,"SU 4312",SU-4312,SU4312,5812-07-7,5812077,dmbi,CHEMBL328710,"3-((4-(dimethylamino)phe
nyl)methylene)-1,3-dihydro-2H-indol-2-one","3((4(dimethylamino)phenyl)methylene)1,3dihydro2Hindol2one","NSC 86429",3-(4-(Dimethylamino)benzylidene)-1,3(4(Dimethylamino)benzylidene)1,3-,3,T3570,1459}

> <pdid>
PD015018

> <targets>
{VEGFR}

> <classes>
{}

> <pubchem_cids>
{6450842}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 16 17  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 Cl  0  0
   -2.5987    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
   -6.4948    0.7442    0.0000 O   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -3.9014    3.7484    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -1.3034    3.7525    0.0000 O   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
  4  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  3
 13 14  1  0
 14  8  1  0
 14 15  2  0
  3 16  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13989

> <plate>
PLATE 004

> <well>
E9

> <supplier_cmpd_name>
TPI-1

> <ctcr_id>
13509

> <supplier_cmpd_id>
T3962

> <smiles>
c1cc(c(cc1Cl)C1=CC(=O)C=CC1=O)Cl

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{PI,tpi-1,tpi1,79756-69-7,79756697,"2-(2,5-dichlorophenyl)cyclohexa-2,5-diene-1,4-dione","2(2,5dichlorophenyl)cyclohexa2,5diene1,4dione","2-(2,5-Dichlorophenyl)-1,4-benzoquinone","2(2,5Dichlorophenyl)
1,4benzoquinone","2,5-Cyclohexadiene-1,4-dione, 2-(2,5-dichlorophenyl)-","2,5Cyclohexadiene1,4dione, 2(2,5dichlorophenyl)","2',5'-Dichloro-(1,1'-biphenyl)-2,5-dione","2',5'Dichloro(1,1'biphenyl)2,5dio
ne",2-(2,2(2,5-dichlorophenyl)-2,5dichlorophenyl)2,5-cyclohexa,5cyclohexa,T3962,TPI-1}

> <pdid>
PD057743

> <targets>
{"recombinant SHP-1"}

> <classes>
{Endocrinology/Hormones}

> <pubchem_cids>
{948589}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 42 46  0  0  1  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -9.0998    3.7409    0.0000 C   0  0
  -10.3985    2.9886    0.0000 N   0  0
  -11.7520    3.6049    0.0000 C   0  0
  -12.7518    2.4866    0.0000 C   0  0
  -11.9973    1.1902    0.0000 C   0  0  1  0  0  0
  -12.5990   -0.1819    0.0000 N   0  0
  -11.7114   -1.3910    0.0000 C   0  0
  -14.0900   -0.3465    0.0000 C   0  0
  -10.5312    1.5072    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -6.4995    5.2440    0.0000 C   0  0
   -7.7981    5.9948    0.0000 F   0  0
   -5.2003    5.9937    0.0000 F   0  0
   -6.4989    6.7440    0.0000 F   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.0031   -3.0008    0.0000 N   0  0
   -1.3039   -3.7494    0.0000 C   0  0
   -1.3092   -5.2494    0.0000 N   0  0
   -2.6108   -5.9949    0.0000 C   0  0
   -3.9072   -5.2404    0.0000 C   0  0
   -3.9020   -3.7404    0.0000 C   0  0
   -5.1991   -2.9856    0.0000 C   0  0
   -6.5020   -3.7290    0.0000 C   0  0
   -7.7973   -2.9724    0.0000 N   0  0
   -7.7897   -1.4725    0.0000 C   0  0
   -6.4869   -0.7290    0.0000 N   0  0
   -5.1917   -1.4855    0.0000 C   0  0
   -2.6004   -2.9949    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  6
 18 19  1  0
 18 20  1  0
 17 21  1  0
 21 14  1  0
 12 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 23 26  1  0
 22 27  2  0
 27  9  1  0
  5 28  1  0
 28 29  2  0
 29  2  1  0
 29 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 38 39  2  0
 39 40  1  0
 40 41  2  0
 41 36  1  0
 35 42  2  0
 42 31  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13990

> <plate>
PLATE 004

> <well>
E10

> <supplier_cmpd_name>
Bafetinib

> <ctcr_id>
11505

> <supplier_cmpd_id>
T6311

> <smiles>
Cc1ccc(NC(=O)c2ccc(CN3CC[C@@H](N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(c2cncnc2)n1

> <pd_targets>
{LYN,ABL1}

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

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

> <pathway_reactome>
{Disease,"Infectious disease","Leishmania infection","Leishmania parasite growth and survival","Parasite infection","Anti-inflammatory response favouring Leishmania parasite infection","Leishmania pha
gocytosis","FCGR3A-mediated IL10 synthesis","FCGR3A-mediated phagocytosis"}

> <broad_targets>
{ABL1,BCR,LYN}

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

> <synonyms>
{CHEMBL536073,SCHEMBL677506,CHEMBL206034,BDBM50208747,ZINC28571624,T6311,Bafetinib}

> <pdid>
PD015660

> <targets>
{Abl,Lyn}

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

> <pubchem_cids>
{11215316}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    2.5840   -8.2829    0.0000 C   0  0
    2.8570   -6.8080    0.0000 N   0  0
    4.2107   -6.1619    0.0000 C   0  0
    4.0146   -4.6747    0.0000 N   0  0
    2.5536   -4.4230    0.0000 C   0  0
    1.8242   -5.7201    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 S   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0039    0.0000 C   0  0
    1.2934    3.7495    0.0000 C   0  0
    1.2883    5.2495    0.0000 C   0  0
    2.5847    6.0040    0.0000 C   0  0
    2.5826    7.5048    0.0000 N   0  0
    3.8808    8.2579    0.0000 C   0  0
    5.1811    7.5101    0.0000 S   0  0
    3.8787    9.7587    0.0000 N   0  0
    5.1769   10.5118    0.0000 C   0  0
    6.4772    9.7640    0.0000 O   0  0
    5.1748   12.0126    0.0000 C   0  0
    6.4730   12.7657    0.0000 C   0  0
    6.4731   14.2657    0.0000 C   0  0
    7.7722   15.0157    0.0000 C   0  0
    9.0712   14.2657    0.0000 C   0  0
    9.0712   12.7657    0.0000 C   0  0
    7.7722   12.0157    0.0000 C   0  0
    3.8863    5.2585    0.0000 C   0  0
    3.8915    3.7585    0.0000 C   0  0
    5.1932    3.0131    0.0000 F   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  2  1  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 23  1  0
 15 29  1  0
 29 30  2  0
 30 12  1  0
 30 31  1  0
 10 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35  9  1  0
 35 36  1  0
 36  7  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13991

> <plate>
PLATE 004

> <well>
E11

> <supplier_cmpd_name>
Glesatinib

> <ctcr_id>
5101

> <supplier_cmpd_id>
T6351

> <smiles>
Cn1cnc(c1)c2sc3c(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)ccnc3c2

> <pd_targets>
{MET,KDR,SMO,AURKA}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Kinase,"Frizzled family G protein-coupled receptor","Protein Kinase","Smoothened receptor (frizzled family GPCR)","TK protein kinase group","Other protein kinase group","Ty
rosine protein kinase Met family","Tyrosine protein kinase VEGFR family","Other protein kinase AUR family"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","G protein-coupled receptors","Receptor kinases","Class Frizzled GPCRs","TK: Tyrosine kinase","Other protein kinases","Receptor tyrosine kinases (RTKs)","Aurora kinase
 (Aur) family","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction","Organelle biogenesis and maintenance","Gene expression (Transcription)","Nervous system development","Signaling by Receptor Tyrosine Kinases","Cilium As
sembly","RNA Polymerase II Transcription","Axon guidance","Signaling by VEGF","Cargo trafficking to the periciliary membrane","Generic Transcription Pathway","Semaphorin interactions","VEGFA-VEGFR2 Pa
thway","BBSome-mediated cargo-targeting to cilium","Transcriptional Regulation by TP53","Sema4D in semaphorin signaling","VEGFR2 mediated cell proliferation","Regulation of TP53 Activity","Sema4D medi
ated inhibition of cell attachment and migration","Regulation of TP53 Activity through Phosphorylation"}

> <broad_targets>
{AXL,MET}

> <broad_moa>
{"VEGFR inhibitor"}

> <synonyms>
{GCD26,MGCD-265,MGCD265,875337-44-3,875337443,"MGCD-265 analog","MGCD265 analog",mgcd-265-analog,mgcd265analog,"MGCD 265",UNII-93M6577H9D,UNII93M6577H9D,CHEMBL254760,93M6577H9D,"compound 10a (PMID: 18
434145)",cc-38,cc38,MLS006010962,GTPL9133,SCHEMBL3576588,C26H20FN5O2S2,MGCD-265/MGCD265,MGCD265/MGCD265,BDBM24498,CHEBI:91393,DTXS,T6351,S1361,Glesatinib}

> <pdid>
PD003416

> <targets>
{"c-Met | VEGFR-PDGFR",c-Met,VEGFR,Tie-2}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{24901704}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 32 35  0  0  0  0            999 V2000
    1.2948   -3.7516    0.0000 O   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 C   0  0
   -6.5018    3.7420    0.0000 O   0  0
   -7.7993    2.9876    0.0000 C   0  0
   -9.1017    3.7333    0.0000 C   0  0
  -10.3992    2.9790    0.0000 N   0  0
  -11.7021    3.7223    0.0000 C   0  0
  -12.9973    2.9658    0.0000 C   0  0
  -12.9898    1.4658    0.0000 O   0  0
  -11.6870    0.7224    0.0000 C   0  0
  -10.3917    1.4789    0.0000 C   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    5.1895   -7.5109    0.0000 C   0  0
    6.4885   -8.2610    0.0000 C   0  0
    7.7875   -7.5110    0.0000 C   0  0
    7.7876   -6.0110    0.0000 C   0  0
    6.4885   -5.2610    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  7 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 17  1  0
 13 23  1  0
 23 24  2  0
 24 10  1  0
  2 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  2  0
 32 27  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13992

> <plate>
PLATE 004

> <well>
F2

> <supplier_cmpd_name>
KX2-391

> <ctcr_id>
700

> <supplier_cmpd_id>
T6345

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

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

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

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

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

> <broad_targets>
{SRC}

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

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

> <pdid>
PD003466

> <targets>
{Src}

> <classes>
{Angiogenesis}

> <pubchem_cids>
{23635314}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 30 33  0  0  0  0            999 V2000
    2.5973   -1.5031    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    3.8933   -3.7570    0.0000 N   0  0
    3.8912   -5.2578    0.0000 C   0  0
    5.1876   -6.0124    0.0000 C   0  0
    5.1824   -7.5124    0.0000 C   0  0
    3.8808   -8.2579    0.0000 C   0  0
    2.5844   -7.5034    0.0000 C   0  0
    2.5895   -6.0034    0.0000 C   0  0
    1.2827   -8.2489    0.0000 Br  0  0
    6.4915   -5.2692    0.0000 O   0  0
    7.7869   -6.0256    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.4133    1.7530    0.0000 C   0  0
    1.8032    3.1233    0.0000 C   0  0
    0.3114    2.9665    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -0.6890    4.0818    0.0000 C   0  0
   -0.2235    5.5086    0.0000 C   0  0
   -1.2235    6.6267    0.0000 C   0  0
   -0.7553    8.0517    0.0000 C   0  0
    0.7130    8.3588    0.0000 N   0  0
    1.7130    7.2408    0.0000 C   0  0
    1.2448    5.8157    0.0000 C   0  0
   -1.7553    9.1697    0.0000 N   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  9 11  1  0
  6 12  1  0
 12 13  1  0
  1 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 15  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 14  1  0
 18 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 26 30  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13993

> <plate>
PLATE 004

> <well>
F3

> <supplier_cmpd_name>
JI-101

> <ctcr_id>
12253

> <supplier_cmpd_id>
T3476

> <smiles>
N(C(=O)Nc1c(ccc(c1)Br)OC)c1c2ccn(c2ccc1)Cc1cc(ncc1)N

> <pd_targets>
{KDR,PDGFRB,EPHB4}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: P
DGFR",CSFR,Kit,"FLT3 receptor family","Type XIII RTKs: Ephrin receptor family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology","Signaling by Receptor Tyrosine Kinases","Intracellular signaling by second messengers","Nervous system development","Signaling by VEGF","PIP3 activates 
AKT signaling","Axon guidance","VEGFA-VEGFR2 Pathway","Negative regulation of the PI3K/AKT network","EPH-Ephrin signaling","VEGFR2 mediated cell proliferation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Si
gnaling","EPHB-mediated forward signaling"}

> <broad_targets>
{}

> <broad_moa>
{"kinase inhibitor"}

> <synonyms>
{I10,JI-101,JI101,900573-88-8,900573888,CGI-1842,CGI1842,UNII-980M4N37DH,UNII980M4N37DH,980M4N37DH,SCHEMBL5585996,CHEMBL3545155,BCP16892,EX-A2371,EXA2371,"JI 101",MFCD26142530,NSC762381,NSC801003,ZINC
38255464,AKOS030526978,CS-5636,CS5636,DB12744,NSC-762381,NSC-801003,SB16904,AK548078,BS-17924,BS17924,HY-16265,HY16265,J3.5,T3476}

> <pdid>
PD052545

> <targets>
{Ephrin Receptor,PDGFR,VEGFR}

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

> <pubchem_cids>
{11691242}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 35 39  0  0  0  0            999 V2000
    4.4186   -7.3727    0.0000 C   0  0
    2.9357   -7.1465    0.0000 N   0  0
    1.9983   -8.3186    0.0000 C   0  0
    2.5437   -9.7168    0.0000 C   0  0
    1.6085  -10.8896    0.0000 C   0  0
    2.1565  -12.2859    0.0000 O   0  0
    3.6397  -12.5095    0.0000 C   0  0
    4.5750  -11.3368    0.0000 C   0  0
    4.0270   -9.9405    0.0000 O   0  0
    2.3903   -5.7483    0.0000 S   0  0
    1.8445   -4.3511    0.0000 O   0  0
    0.9074   -5.5222    0.0000 O   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 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 N   0  0
   -3.8856    1.6561    0.0000 C   0  0
   -4.2194    0.1937    0.0000 C   0  0
   -3.1198   -0.8265    0.0000 C   0  0
   -1.6852   -0.3847    0.0000 C   0  0
   -0.7500   -1.5574    0.0000 C   0  0
   -1.4008   -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
   -5.6535   -0.2486    0.0000 C   0  0
   -6.8343    0.6557    0.0000 C   0  0
   -8.0595   -0.2097    0.0000 N   0  0
   -7.6150   -1.6424    0.0000 N   0  0
   -8.5129   -2.8440    0.0000 C   0  0
   -6.1152   -1.6624    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  4  1  0
  2 10  1  0
 10 11  2  0
 10 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  3
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 20  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 17  1  0
 28 29  2  0
 29 14  1  0
 23 30  1  0
 30 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 35 30  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13994

> <plate>
PLATE 004

> <well>
F4

> <supplier_cmpd_name>
MK-2461

> <ctcr_id>
2842

> <supplier_cmpd_id>
T6094

> <smiles>
CN(CC1COCCO1)[S](=O)(=O)Nc2ccc3C=Cc4ncc(cc4C(=O)c3c2)c5cnn(C)c5

> <pd_targets>
{MET,FLT1,NTRK1,NTRK2,FLT4,AURKA,PDGFRB,MERTK,FGFR2,KDR,FLT3,FGFR1,CYP2C9,MST1R,RET,FGFR3,CYP3A4,ABL1,JAK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 2","Cytochrome P450 family 3","TK protein kinase group","Other protein kinase group","Cytochrome P450 family 2C","Cytochrome P
450 family 3A","Tyrosine protein kinase Met family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase Trk family","Other protein kinase AUR family","Tyrosine protein kinase PDGFR family"
,"Tyrosine protein kinase Axl family","Tyrosine protein kinase FGFR family","Cytochrome P450 2C9","Tyrosine protein kinase Ret family","Cytochrome P450 3A4","Tyrosine protein kinase Abl family","Tyros
ine protein kinase JakA family"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Cytochrome P450","Receptor kinases","CYP2 family: drug metabolising subset","CYP3 family","TK: Tyrosine kinase","Other protein kinases","Receptor tyrosine kin
ases (RTKs)","Aurora kinase (Aur) family","Non-receptor tyrosine kinases (nRTKs)","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor)
 receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type V RTKs: 
FGF (fibroblast growth factor) receptor family","Type XIV RTKs: RET","Abl family","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction","Gene expression (Transcription)",Hemostasis,Disease,Metabolism,"Cell Cycle","Nervous system development","Signaling by Receptor Tyrosine Kinases","RNA P
olymerase II Transcription","Intracellular signaling by second messengers","Cell surface interactions at the vascular wall","Diseases of signal transduction by growth factor receptors and second messe
ngers","Biological oxidations","Metabolism of lipids","Infectious disease",Mitotic,"Axon guidance","Signaling by VEGF","Signaling by NTRKs","Generic Transcription Pathway","PIP3 activates AKT signalin
g","Signaling by FGFR in disease","Signaling by Insulin receptor","Phase I - Functionalization of compounds","Signaling by MST1","Biosynthesis of specialized proresolving mediators (SPMs)","Leishmania
 infection","Mitotic G1 phase and G1/S transition","Semaphorin interactions","VEGF ligand-receptor interactions","Signaling by NTRK1 (TRKA)","Transcriptional Regulation by TP53","Negative regulation o
f the PI3K/AKT network","Signaling by FGFR2 in disease","VEGFA-VEGFR2 Pathway","Insulin receptor signalling cascade","Signaling by FGFR1 in disease","Cytochrome P450 - arranged by substrate type","RET
 signaling","Signaling by FGFR3 in disease","Biosynthesis of DHA-derived SPMs","Parasite infection","G1 Phase","Sema4D in semaphorin signaling","VEGF binds to VEGFR leading to receptor dimerization","
Signalling to ERKs","Activation of TRKA receptors","Regulation of TP53 Activity",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","FGFR2 mutant receptor activation","VEGFR2 mediated cell proliferation
","IRS-mediated signalling","FGFR1 mutant receptor activation",Xenobiotics,"Signaling by FGFR3 point mutants in cancer","Biosynthesis of maresins","Leishmania phagocytosis","Cyclin D associated events
 in G1","Sema4D mediated inhibition of cell attachment and migration","Prolonged ERK activation events","NGF-independant TRKA activation","Regulation of TP53 Activity through Phosphorylation","Activat
ed point mutants of FGFR2","PI3K Cascade","Signaling by activated point mutants of FGFR1","CYP2E1 reactions","FGFR3 mutant receptor activation","Biosynthesis of maresin-like SPMs","FCGR3A-mediated pha
gocytosis","ARMS-mediated activation","Signaling by activated point mutants of FGFR3"}

> <broad_targets>
{FGFR1,FGFR2,FGFR3,FLT1,FLT3,FLT4,KDR,MERTK,MET,MST1R,NTRK1,NTRK2,PDGFRB}

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

> <synonyms>
{MK2461,SCHEMBL2326906,HMS3651N11,BCP09219,NCGC00389216-01,NCGC0038921601,AK251218,T6094,S2774,MK-2461}

> <pdid>
PD010580

> <targets>
{c-Met,FGFR,PDGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{15981080}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 25 27  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5988    1.5004    0.0000 S   0  0
   -3.8976    0.7500    0.0000 O   0  0
   -3.8982    2.2498    0.0000 O   0  0
   -2.5998    3.0012    0.0000 N   0  0
   -3.8995    3.7516    0.0000 C   0  0
   -3.9027    5.2517    0.0000 C   0  0
   -5.2032    5.9990    0.0000 C   0  0
   -6.5007    5.2464    0.0000 C   0  0
   -6.4977    3.7464    0.0000 C   0  0
   -5.1971    2.9990    0.0000 C   0  0
   -7.8019    5.9941    0.0000 N   0  0
   -7.9452    7.4744    0.0000 C   0  0
   -9.4135    7.7810    0.0000 C   0  0
  -10.1588    6.4792    0.0000 N   0  0
   -9.1511    5.3682    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  8 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 21  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13995

> <plate>
PLATE 004

> <well>
F5

> <supplier_cmpd_name>
ISCK03

> <ctcr_id>
4492

> <supplier_cmpd_id>
T3452

> <smiles>
CC(C)(C)c1ccc(cc1)[S](=O)(=O)Nc2ccc(cc2)n3ccnc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ISCK03,945526-43-2,945526432,ISCK-03,"tert-Butylphenyl imidazolylphenyl sulfonamide","tertButylphenyl imidazolylphenyl sulfonamide",UNII-3028H7W568,UNII3028H7W568,4-tert-butyl-N-(4-imidazol-1-ylpheny
l)benzenesulfonamide,4tertbutylN(4imidazol1ylphenyl)benzenesulfonamide,3028H7W568,Whiteplex-IN,WhiteplexIN,"Stem-Cell Factor/c-Kit Inhibitor, ISCK03","StemCell Factor/cKit Inhibitor, ISCK03","ISCK 03"
,"t-Butylphenyl imidazol","tButylphenyl imidazol",T3452,"EMD 569615",569615}

> <pdid>
PD018629

> <targets>
{"Stem-Cell Factor/c-Kit Inhibitor",ISCK03}

> <classes>
{}

> <pubchem_cids>
{3792751}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 28 31  0  0  1  0            999 V2000
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 N   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 S   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1047   -0.0031    0.0000 N   0  0
   -5.8532   -1.3040    0.0000 C   0  0  1  0  0  0
   -7.3533   -1.3093    0.0000 C   0  0  1  0  0  0
   -8.0987   -2.6109    0.0000 C   0  0
   -7.3442   -3.9074    0.0000 C   0  0
   -5.8442   -3.9021    0.0000 C   0  0
   -5.0987   -2.6005    0.0000 C   0  0
   -8.1078   -0.0129    0.0000 O   0  0
    5.1820   -6.0161    0.0000 C   0  0
    6.4849   -5.2728    0.0000 O   0  0
    5.1746   -7.5169    0.0000 N   0  0
    6.4695   -8.2740    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
  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 14  1  0
 14 15  1  0
 15 11  1  0
 15 16  2  0
 16  8  1  0
 13 17  1  0
 18 17  1  6
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 19 24  1  1
  1 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13996

> <plate>
PLATE 004

> <well>
F6

> <supplier_cmpd_name>
BLZ945

> <ctcr_id>
13505

> <supplier_cmpd_id>
T6119

> <smiles>
c1(cc(ccn1)Oc1ccc2nc(sc2c1)N[C@H]1[C@@H](CCCC1)O)C(=O)NC

> <pd_targets>
{CSF1R,PDGFRB,KIT}

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

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

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction",Disease,"RNA Polymerase II Transcription","Intracellular signaling by second messengers","Diseases of signal transduction by growth factor rece
ptors and second messengers","Generic Transcription Pathway","PIP3 activates AKT signaling","Signaling by KIT in disease","Transcriptional Regulation by VENTX","Negative regulation of the PI3K/AKT net
work","Drug resistance of KIT mutants",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Dasatinib-resistant KIT mutants"}

> <broad_targets>
{}

> <broad_moa>
{"CSF1R inhibitor"}

> <synonyms>
{BLZ945,953769-46-5,953769465,BLZ-945,UNII-7W3V82OQ0P,UNII7W3V82OQ0P,7W3V82OQ0P,CHEMBL4227505,C20H22N4O3S,"BLZ 945",MIDODRINEHYDROCHLORIDE,GTPL8250,SCHEMBL2676695,EX-A817,EXA817,SYN1197,3193AH,BDBM504
60035,MFCD28142668,NSC758006,s7725,ZINC68203100,AKOS025396391,CCG-268639,CCG268639,CS-3971,CS3971,T6119}

> <pdid>
PD017171

> <targets>
{CSF-1R}

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

> <pubchem_cids>
{46184986}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 35 38  0  0  0  0            999 V2000
    6.4833   -9.7648    0.0000 C   0  0
    6.4855   -8.2648    0.0000 O   0  0
    5.1873   -7.5117    0.0000 C   0  0
    5.1894   -6.0109    0.0000 C   0  0
    6.4897   -5.2632    0.0000 O   0  0
    3.8912   -5.2578    0.0000 N   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.6011   -3.0008    0.0000 N   0  0
   -3.9020   -3.7494    0.0000 C   0  0
   -3.9072   -5.2494    0.0000 C   0  0
   -5.2089   -5.9949    0.0000 C   0  0
   -6.5053   -5.2405    0.0000 C   0  0
   -7.8061   -5.9891    0.0000 O   0  0
   -7.8091   -7.4899    0.0000 C   0  0
   -9.1082   -8.2400    0.0000 C   0  0
   -9.1082   -9.7400    0.0000 C   0  0
   -7.8091  -10.4900    0.0000 C   0  0
   -7.8091  -11.9900    0.0000 C   0  0
   -6.5101   -9.7400    0.0000 N   0  0
   -6.5101   -8.2400    0.0000 C   0  0
   -6.5001   -3.7405    0.0000 C   0  0
   -7.7966   -2.9860    0.0000 C   0  0
   -5.1985   -2.9950    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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 27 29  1  0
 29 30  2  0
 30 24  1  0
 22 31  1  0
 31 32  1  0
 31 33  2  0
 33 19  1  0
 17 34  1  0
 34 13  1  0
 34 35  2  0
 35 10  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13997

> <plate>
PLATE 004

> <well>
F7

> <supplier_cmpd_name>
CP-724714

> <ctcr_id>
7098

> <supplier_cmpd_id>
T4014

> <smiles>
COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

> <pd_targets>
{ERBB2,EGFR,MKNK2,CDK8,TUBA1A,CDK19}

> <pathway_gtopdb>
{Enzyme,"Structural protein",Kinase,"Protein Kinase","TK protein kinase group","CAMK protein kinase group","CMGC protein kinase group","Tyrosine protein kinase EGFR family","CAMK protein kinase MAPKAP
K family","CMGC protein kinase CDK family","CAMK protein kinase MNK subfamily","CMGC protein kinase CDK8 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","CMGC: Containing CDK",MAPK,GSK
3,"CLK families","TK: Tyrosine kinase","MAPK-Activated Protein Kinase (MAPKAPK) family","Cyclin-dependent kinase (CDK) family","Receptor tyrosine kinases (RTKs)","MKN subfamily","CDK8 subfamily","Type
 I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Developmental Biology","Signal Transduction",Disease,"Cell Cycle",Metabolism,"Nervous system development","Signaling by GPCR","Diseases of signal transduction by growth factor receptors and second m
essengers",Mitotic,"Metabolism of lipids","Axon guidance","GPCR downstream signalling","Signaling by NOTCH1 in Cancer","Mitotic G2-G2/M phases","Regulation of lipid metabolism by PPARalpha","Semaphori
n interactions","G alpha (q) signalling events","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","G2/M Transition","PPARA activates gene expression","Sema4D in semaphorin signaling","Gastrin-CRE
B signalling pathway via PKC and MAPK","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Centrosome maturation","Sema4D induced cell migration and growth-cone collapse","EGFR Transactivation 
by Gastrin","Loss of proteins required for interphase microtubule organization from the centrosome","Loss of Nlp from mitotic centrosomes"}

> <broad_targets>
{ERBB2}

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

> <synonyms>
{CP-724714,CP724714,383432-38-0,383432380,"CP 724714","CP-724,714","CP724,714",UNII-I05QZ0S4V3,UNIII05QZ0S4V3,CHEMBL483321,I05QZ0S4V3,845680-17-3,845680173,C27H27N5O3,SCHEMBL95109,cc-593,cc593,MLS0060
11185,GTPL7883,SCHEMBL4617807,BDBM31340,CHEBI:91331,cid_9874913,cid9874913,cid-9874913,"cid 9874913",SYN1033,CHEBI:167658,BCPP000275,BCP0184,T4014,S1167}

> <pdid>
PD003239

> <targets>
{HER2,EGFR}

> <classes>
{}

> <pubchem_cids>
{9874913}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 23 26  0  0  1  0            999 V2000
    6.0921   -5.7983    0.0000 N   0  0
    6.7064   -4.4299    0.0000 C   0  0
    7.3211   -3.0607    0.0000 C   0  0
    6.4434   -1.8433    0.0000 C   0  0  1  0  0  0
    7.0565   -0.4733    0.0000 C   0  0
    6.3038    0.8093    0.0000 C   0  0
    7.3128    1.9192    0.0000 C   0  0
    8.6802    1.3025    0.0000 C   0  0
    8.5162   -0.1885    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.4133   -1.7530    0.0000 N   0  0
   -1.8032   -3.1233    0.0000 C   0  0
   -0.3114   -2.9665    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  3  0
  2  3  1  0
  4  3  1  6
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  5  1  0
  4 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 10  1  0
 12 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 15  1  0
 23 19  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13998

> <plate>
PLATE 004

> <well>
F8

> <supplier_cmpd_name>
S-Ruxolitinib

> <ctcr_id>
7410

> <supplier_cmpd_id>
T6156

> <smiles>
N#CC[C@@H](C1CCCC1)n2cc(cn2)c3ncnc4[nH]ccc34

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

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

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

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

> <broad_targets>
{JAK1,JAK2}

> <broad_moa>
{"JAK inhibitor"}

> <synonyms>
{"RUXOLITINIB (INCB018424",S-Ruxolitinib,SRuxolitinib,941685-37-6,941685376,"S-Ruxolitinib (INCB018424)","SRuxolitinib (INCB018424)","Ruxolitinib (S enantiomer)",(R)-ruxolitinib,(R)ruxolitinib,"Ruxoli
tinib S enantiomer","INCB 18424",ruxolitinib-(S),ruxolitinib(S),PubChem19323,SCHEMBL99225,CHEMBL1287854,DTXSID30678918,BCP15524,EX-A40,EXA40,S2902}

> <pdid>
PD003235

> <targets>
{JAK1,JAK2,JAK}

> <classes>
{}

> <pubchem_cids>
{50878566}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 28 30  0  0  0  0            999 V2000
    2.6030   -2.9977    0.0000 O   0  0
    2.6003   -1.4977    0.0000 C   0  0
    3.4657   -0.9965    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -0.0020    3.0008    0.0000 N   0  0
   -1.3030    3.7490    0.0000 C   0  0
   -2.6020    2.9972    0.0000 C   0  0
   -2.5975    1.4972    0.0000 C   0  0
   -3.8942    0.7432    0.0000 C   0  0
   -5.1955    1.4892    0.0000 C   0  0
   -5.2002    2.9892    0.0000 C   0  0
   -3.9034    3.7432    0.0000 C   0  0
   -3.9081    5.2432    0.0000 O   0  0
    1.2969    3.7525    0.0000 C   0  0
    2.5979    3.0043    0.0000 C   0  0
    2.5975    1.5042    0.0000 C   0  0
    3.8962    0.7537    0.0000 C   0  0
    3.8959   -0.2463    0.0000 O   0  0
    5.1955    1.5033    0.0000 C   0  0
    5.1961    3.0033    0.0000 C   0  0
    3.8973    3.7538    0.0000 C   0  0
    3.8979    5.2538    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
  6 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 13  1  0
 18 19  1  0
 11 20  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  2  0
 27 21  1  0
 27 28  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
13999

> <plate>
PLATE 004

> <well>
F9

> <supplier_cmpd_name>
lavendustin A

> <ctcr_id>
1307

> <supplier_cmpd_id>
T4183

> <smiles>
OC(=O)c1cc(ccc1O)N(Cc2ccccc2O)Cc3cc(O)ccc3O

> <pd_targets>
{KMT2A,MEN1,MAPT,LCK,FFP,ALDH1A1,EGFR,TDP1,HPGD}

> <pathway_gtopdb>
{"Epigenetic regulator","Other cytosolic protein",Enzyme,Reader,Kinase,Transferase,Oxidoreductase,Hydrolase,Bromodomain,"Protein Kinase","TK protein kinase group","Tyrosine protein kinase Src family",
"Tyrosine protein kinase EGFR family"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Eicosanoid turnover","Receptor kinases","Prostaglandin synthases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RT
Ks)","Src family","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Neuronal System",Disease,Metabolism,"Signal Transduction","DNA Repair","Transmission across Chemical Synapses","Infectious disease","Biological oxidations","Signaling by GPCR","DNA Double-Strand Bre
ak Repair","Metabolism of lipids","Neurotransmitter receptors and postsynaptic signal transmission","HIV Infection","Phase I - Functionalization of compounds","GPCR downstream signalling","Nonhomologo
us End-Joining (NHEJ)","Biosynthesis of specialized proresolving mediators (SPMs)","Activation of NMDA receptors and postsynaptic events","Host Interactions of HIV factors","Ethanol oxidation","G alph
a (q) signalling events","Biosynthesis of DHA-derived SPMs","Post NMDA receptor activation events","The role of Nef in HIV-1 replication and disease pathogenesis","Gastrin-CREB signalling pathway via 
PKC and MAPK","Biosynthesis of D-series resolvins","Activation of AMPK downstream of NMDARs","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","EGFR Tran
sactivation by Gastrin","Nef Mediated CD4 Down-regulation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"Lavendustin A",125697-92-9,125697929,RG14355,UNII-3Y0G32G2RV,UNII3Y0G32G2RV,RG-14355,3Y0G32G2RV,CHEMBL103552,"RG 14355","5-((2,5-dihydroxybenzyl)(2-hydroxybenzyl)amino)-2-hydroxybenzoic acid","5((2,
5dihydroxybenzyl)(2hydroxybenzyl)amino)2hydroxybenzoic acid","Lavendustin A, from Streptomyces griseolavendus",LAVENDUSTINA,BiomolKI_00,BiomolKI00,BiomolKI-00,"BiomolKI 00",T4183,EI-185,"lavendustin A
"}

> <pdid>
PD040726

> <targets>
{EGFRK}

> <classes>
{}

> <pubchem_cids>
{3894}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 21 22  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7554    0.0000 C   0  0
   -3.8938   -2.2554    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -5.2029    2.9932    0.0000 O   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -9.0994    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
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  7  8  1  0
  5  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  3  0
 10 13  1  0
 13 14  2  0
 13 15  1  0
 15 16  1  0
 16 17  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_L2200_Tyrosine kinase inhibitor library

> <id>
14000

> <plate>
PLATE 004

> <well>
F10

> <supplier_cmpd_name>
AG 494

> <ctcr_id>
7673

> <supplier_cmpd_id>
T4205

> <smiles>
Oc1ccc(cc1O)\C=C(C#N)\C(=O)Nc2ccccc2

> <pd_targets>
{HIF1A,EGFR,HSD17B10,KDM4E,SMN1,RORC,ALOX12,CYP2D6,CYP3A4,CYP1A2,PSMD14,KMT2A,MAPT,GRIN1,GRIN2B,MEN1,NFKB1,ALOX15,HPGD,TP53,ERBB2,ALDH1A1,MAPK1,F2,GMNN,LMNA,PMP22,BLM,CHRM1,PDGFRB,PKM,ALD,PYK,FTL,CYP2
C19,LEF}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Epigenetic regulator","Other cytosolic protein","Ion channel","Unclassified protein","Other nuclear protein","Membrane receptor",Kinase,Oxidoreductase,Eraser,Reader,"Nu
clear receptor","Cytochrome P450",Protease,"Ligand-gated ion channel","Family A G protein-coupled receptor",Transferase,"Protein Kinase","Lysine demethylase","Methyl-lysine/arginine binding protein","
Nuclear hormone receptor subfamily 1","Cytochrome P450 family 2","Cytochrome P450 family 3","Cytochrome P450 family 1","Metallo protease",Bromodomain,"Ionotropic glutamate receptor","Serine protease",
"Small molecule receptor (family A GPCR)","TK protein kinase group","Jumonji domain-containing","Tudor domain","Nuclear hormone receptor subfamily 1 group F","Cytochrome P450 family 2D","Cytochrome P4
50 family 3A","Cytochrome P450 family 1A","Metallo protease MP clan","NMDA receptor","CMGC protein kinase group","Serine protease PA clan","Monoamine receptor","Cytochrome P450 family 2C","Metallo pro
tease MAE clan","Tyrosine protein kinase EGFR family","Nuclear hormone receptor subfamily 1 group F member 3","Cytochrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 1A1","Metallo protease M67 fa
mily","CMGC protein kinase MAPK family","Serine protease S1A subfamily","Acetylcholine receptor","Tyrosine protein kinase PDGFR family","Cytochrome P450 2C19","Metallo protease M34 family","Metallo pr
otease M67A subfamily","CMGC protein kinase ERK1"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Chromatin modifying enzymes","Nuclear hormone receptors","Eicosanoid turnover","Cytochrome P450","Peptidases and proteinases","Kinases (EC 2.7.x.x)","G protei
n-coupled receptors","2.7.1.40 Pyruvate kinases","Receptor kinases","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphans",Lipoxygenases,"CYP2 family: drug metabolising subset","CYP3 fam
ily","CYP1 family","MP: Metallo (M) Peptidases","2.1.1.43 Histone methyltransferases (HMTs)","Prostaglandin synthases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","PA: Serine (S) Peptidases","Acet
ylcholine receptors (muscarinic)","TK: Tyrosine kinase","M67: PSMD14 peptidase","Mitogen-activated protein kinases (MAP kinases)","S1: Chymotrypsin","Receptor tyrosine kinases (RTKs)","ERK subfamily",
"Type I RTKs: ErbB (epidermal growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Cellular responses to external stimuli","Signal Transduction",Metabolism,"Metabolism of RNA","Gene expression (Transcription)","Cell Cycle","Neuronal System","Immune System","Developmental Biology",
Disease,"DNA Repair","Vesicle-mediated transport","Cellular responses to stress","Signaling by GPCR","Metabolism of amino acids and derivatives","Metabolism of non-coding RNA","RNA Polymerase II Trans
cription","Metabolism of lipids","Biological oxidations",Mitotic,"Transmission across Chemical Synapses","Cytokine Signaling in Immune system","Cell Cycle Checkpoints","Nervous system development","In
nate Immune System","Diseases of hemostasis","DNA Double-Strand Break Repair","Intracellular signaling by second messengers","Metabolism of carbohydrates","Membrane Trafficking","Infectious disease","
Cellular response to hypoxia","GPCR downstream signalling","Branched-chain amino acid catabolism","snRNP Assembly","Generic Transcription Pathway","Biosynthesis of specialized proresolving mediators (
SPMs)","Phase I - Functionalization of compounds","Regulation of mitotic cell cycle","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by Interleukins","G1/S DNA Damage Chec
kpoints","Axon guidance","Toll-like Receptor Cascades","Defects of contact activation system (CAS) and kallikrein/kinin system (KKS)","Mitotic G1 phase and G1/S transition","M Phase","EGR2 and SOX10-m
ediated initiation of Schwann cell myelination","Homology Directed Repair","GPCR ligand binding","PIP3 activates AKT signaling","Glucose metabolism","trans-Golgi Network Vesicle Budding","Uptake and a
ctions of bacterial toxins","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","G alpha (q) signalling events","Transcriptional regulation by RUNX3","Biosynthesis of DPA-derive
d SPMs","Cytochrome P450 - arranged by substrate type","Biosynthesis of DHA-derived SPMs","APC/C-mediated degradation of cell cycle proteins","Transcriptional regulation by RUNX1","Activation of NMDA 
receptors and postsynaptic events","Interleukin-1 family signaling","p53-Dependent G1/S DNA damage checkpoint","Semaphorin interactions","Ethanol oxidation","Toll Like Receptor 5 (TLR5) Cascade","Defe
ctive factor VIII causes hemophilia A","G1/S Transition","Mitotic Metaphase and Anaphase","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Class A/1 (Rhodopsin-like recep
tors)","Negative regulation of the PI3K/AKT network",Glycolysis,"Golgi Associated Vesicle Biogenesis","Uptake and function of anthrax toxins","Gastrin-CREB signalling pathway via PKC and MAPK","RUNX3 
Regulates Immune Response and Cell Migration","Biosynthesis of DPAn-3 SPMs",Xenobiotics,"Biosynthesis of maresins","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","RUNX1
 regulates genes involved in megakaryocyte differentiation and platelet function","Post NMDA receptor activation events","Interleukin-1 signaling","Biosynthesis of D-series resolvins","p53-Dependent G
1 DNA Damage Response","Sema4D in semaphorin signaling","MyD88 cascade initiated on plasma membrane","Defective F8 cleavage by thrombin","Activation of the pre-replicative complex","Mitotic Anaphase",
"HDR through Homologous Recombination (HRR)","Amine ligand-binding receptors",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","EGFR Transactivation by Gastrin","Biosynthesis of DPAn-3-derived maresin
s","CYP2E1 reactions","Biosynthesis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","APC/C:Cdc20 mediated degradation of mitotic proteins","Activation of AMPK 
downstream of NMDARs","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived protectins and resolvins","Stabilization of p53","Sema4D induced cell migration and growth-cone colla
pse","MAP kinase activation","Nuclear Envelope (NE) Reassembly","Homologous DNA Pairing and Strand Exchange","Muscarinic acetylcholine receptors","APC:Cdc20 mediated degradation of cell cycle proteins
 prior to satisfation of the cell cycle checkpoint","Autodegradation of the E3 ubiquitin ligase COP1","MAPK targets/ Nuclear events mediated by MAP kinases","Initiation of Nuclear Envelope (NE) Reform
ation","Presynaptic phase of homologous DNA pairing and strand exchange","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{3355035,133550-35-3,133550353,"Tyrphostin B48","AG 494","Tyrphostin AG 494",AG-494,AG494,"(E)-2-cyano-3-(3,4-dihydroxyphenyl)-N-phenylacrylamide","(E)2cyano3(3,4dihydroxyphenyl)Nphenylacrylamide","al
pha-Cyano-(3,4-dihydroxy)-N-phenylcinnamide","alphaCyano(3,4dihydroxy)Nphenylcinnamide",139087-53-9,139087539,CHEMBL56731,(E)-2-CYANO-3-(3,(E)2CYANO3(3,4-DIHYDROXYPHENYL)-N-PHENYL-2-P,4DIHYDROXYPHENYL
)NPHENYL2P,EI-228}

> <pdid>
PD015005

> <targets>
{EGFRK,PDGFRK}

> <classes>
{}

> <pubchem_cids>
{5328771}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 30 34  0  0  0  0            999 V2000
    5.1278   -8.9351    0.0000 C   0  0
    4.3823   -7.6335    0.0000 C   0  0
    4.9972   -6.2653    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    2.8911   -7.4715    0.0000 N   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
    3.8915   -3.7585    0.0000 C   0  0
    5.1932   -3.0130    0.0000 F   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 C   0  0
    2.5981    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2959    5.2508    0.0000 O   0  0
   -0.0049    5.9994    0.0000 C   0  0
   -0.0080    7.5002    0.0000 C   0  0
    1.3768    7.4363    0.0000 C   0  0
    0.6243    8.7339    0.0000 C   0  0
   -1.3084    8.2479    0.0000 N   0  0
    3.8994    3.7478    0.0000 O   0  0
    5.1973    2.9959    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  2  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  4  1  0
 10 11  1  0
  9 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 14  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 13  1  0
 17 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 25  1  0
 25 28  1  0
 16 29  1  0
 29 30  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14001

> <plate>
PLATE 004

> <well>
F11

> <supplier_cmpd_name>
Anlotinib Dihydrochloride

> <ctcr_id>
11533

> <supplier_cmpd_id>
T4094

> <smiles>
Cc1cc2c([nH]1)ccc(c2F)Oc1c2cc(c(cc2ncc1)OCC1(CC1)N)OC

> <pd_targets>
{FLT4,FLT1,FGFR1,KDR}

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

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

> <pathway_reactome>
{"Signal Transduction",Disease,"Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by VEGF","Signaling by FGFR in dis
ease","VEGF ligand-receptor interactions","Signaling by FGFR1 in disease","VEGFA-VEGFR2 Pathway","VEGF binds to VEGFR leading to receptor dimerization","FGFR1 mutant receptor activation","VEGFR2 media
ted cell proliferation","Signaling by activated point mutants of FGFR1"}

> <broad_targets>
{KDR,PDGFRB}

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

> <synonyms>
{4678B,Q27279141,Anlotinib,1058156-90-3,1058156903,"Anlotinib free base",AL3818,UNII-GKF8S4C432,UNIIGKF8S4C432,GKF8S4C432,"1058156-90-3 (free base)","1058156903 (free base)",AL-3818,catequentinib,GTPL
9601,SCHEMBL2063386,CHEMBL4303201,BCP24991,EX-A2427,EXA2427,ZINC117924202,"AL 3818",CS-5396,CS5396,DB11885,SB197,T4094,T3441,"Anlotinib Dihydrochloride"}

> <pdid>
PD056639

> <targets>
{VEGFR2,EGFR}

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

> <pubchem_cids>
{25017411}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 O   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    0.0031   -3.0008    0.0000 C   0  0
   -1.2946   -3.7531    0.0000 O   0  0
    1.3039   -3.7494    0.0000 C   0  0
    1.3092   -5.2494    0.0000 C   0  0
    2.6108   -5.9949    0.0000 C   0  0
    3.9073   -5.2404    0.0000 C   0  0
    3.9021   -3.7404    0.0000 C   0  0
    2.6004   -2.9949    0.0000 C   0  0
    5.2111   -5.9837    0.0000 N   0  0
    6.5072   -5.2269    0.0000 C   0  0
    7.8629   -5.8385    0.0000 C   0  0
    8.8588   -4.7169    0.0000 N   0  0
    8.0998   -3.4231    0.0000 C   0  0
    6.6348   -3.7451    0.0000 O   0  0
    8.7007   -2.0479    0.0000 C   0  0
   10.1699   -1.7708    0.0000 C   0  0
   10.6653   -0.3550    0.0000 C   0  0
    9.6869    0.7820    0.0000 C   0  0
    8.2130    0.5031    0.0000 C   0  0
    7.7176   -0.9127    0.0000 C   0  0
    6.2442   -1.1938    0.0000 Cl  0  0
   11.1479   -2.9081    0.0000 F   0  0
    8.1763   -7.3036    0.0000 C   0  0
    9.6032   -7.7661    0.0000 O   0  0
    7.0626   -8.3083    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  1  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 16  1  0
 19 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 21  1  0
 26 27  1  0
 22 28  1  0
 17 29  1  0
 29 30  2  0
 29 31  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14002

> <plate>
PLATE 004

> <well>
G2

> <supplier_cmpd_name>
SAR-20347

> <ctcr_id>
11552

> <supplier_cmpd_id>
T4210

> <smiles>
C1COCCN1C(=O)c1ccc(cc1)Nc1c(nc(o1)c1c(cccc1Cl)F)C(=O)N

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

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

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

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

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{AR2034,SAR-20347,SAR20347,1450881-55-6,1450881556,CHEMBL4476770,GTPL9803,SCHEMBL15224662,AMY16796,BCP19857,EX-A1368,EXA1368,BDBM50507817,NSC798517,ZB1527,CS-7983,CS7983,NSC-798517,SB17052,"SAR20347;S
AR 20347",BS-15430,BS15430,HY-100895,HY100895,T4210}

> <pdid>
PD076501

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

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

> <pubchem_cids>
{71727668}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 35 39  0  0  0  0            999 V2000
   -4.9623    7.9857    0.0000 C   0  0
   -4.2165    9.2871    0.0000 C   0  0
   -2.7483    8.9800    0.0000 C   0  0
   -2.6056    7.4996    0.0000 N   0  0
   -3.9550    6.8742    0.0000 C   0  0
   -1.3050    6.7507    0.0000 C   0  0
   -1.3022    5.2499    0.0000 C   0  0
   -0.0016    4.5011    0.0000 O   0  0
    0.0012    3.0002    0.0000 C   0  0
   -1.2981    2.2506    0.0000 C   0  0
   -1.2985    0.7506    0.0000 C   0  0
    0.0000    0.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
    1.3000   -2.2500    0.0000 C   0  0
    2.5989   -1.4998    0.0000 N   0  0
    3.8981   -2.2494    0.0000 C   0  0
    3.8985   -3.7494    0.0000 C   0  0
    2.6000   -4.5000    0.0000 C   0  0
    1.3000   -3.7500    0.0000 N   0  0
    3.9000   -3.7500    0.0000 C   0  0
    3.9010   -2.2500    0.0000 C   0  0
    5.2000   -1.5000    0.0000 C   0  0
    6.4990   -2.2500    0.0000 C   0  0
    6.5000   -3.7500    0.0000 C   0  0
    6.5000   -2.2500    0.0000 C   0  0
    7.8000   -1.5000    0.0000 O   0  0
    7.8000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 C   0  0
    6.5000    2.2500    0.0000 C   0  0
    5.2000    3.0000    0.0000 C   0  0
    3.9000    2.2500    0.0000 O   0  0
    2.6000    3.0000    0.0000 C   0  0
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    5.2000   -4.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  1  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33  9  1  0
 33 34  2  0
 34 12  1  0
 24 35  2  0
 35 20  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14003

> <plate>
PLATE 004

> <well>
G3

> <supplier_cmpd_name>
Pacritinib

> <ctcr_id>
3986

> <supplier_cmpd_id>
T6020

> <smiles>
C1CCN(C1)CCOc2ccc3Nc4nccc(n4)c5cccc(COCC=CCOCc2c3)c5

> <pd_targets>
{JAK3,JAK2,JAK1,FLT3,TYK2,CCNA1,CCNA2,CDK2}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","CMGC protein kinase group","Tyrosine protein kinase JakA family","Tyrosine protein kinase PDGFR family","CMGC protein kinase CDK family","CMG
C protein kinase CDC2 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Janus kinase (JakA) family","Type III RTKs: PDGFR"
,CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Immune System","Cell Cycle","Signal Transduction","Cytokine Signaling in Immune system",Mitotic,"Signaling by Receptor Tyrosine Kinases","Signaling by Interleukins","Mitotic G1 phase and G1/S transi
tion","Interferon Signaling","Signaling by Insulin receptor","Interleukin-2 family signaling","G1 Phase","Antiviral mechanism by IFN-stimulated genes","Insulin receptor signalling cascade","Interferon
 alpha/beta signaling","Interleukin-15 signaling","Cyclin D associated events in G1","ISG15 antiviral mechanism","IRS-mediated signalling","Regulation of IFNA signaling","PI3K Cascade"}

> <broad_targets>
{FLT3,JAK1,JAK2,JAK3}

> <broad_moa>
{"FLT3 inhibitor","JAK inhibitor"}

> <synonyms>
{Pacritinib(SB1518),CHEMBL2181330,HMS3653B08,HMS3673G03,ZINC43153645,ZINC95938301,AK311720,DA-40351,DA40351,FT-0701734,FT0701734,T6020,S8057,Pacritinib,"Pacritinib (SB1518)"}

> <pdid>
PD036192

> <targets>
{JAK}

> <classes>
{JAK/STAT}

> <pubchem_cids>
{73354318}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 28 31  0  0  0  0            999 V2000
   -1.2989    0.7502    0.0000 C   0  0
    0.0000    0.0000    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.3000   -2.2500    0.0000 C   0  0
    1.3000   -3.7500    0.0000 C   0  0
    2.6000   -4.5000    0.0000 C   0  0
    3.9000   -3.7500    0.0000 C   0  0
    5.2000   -4.5000    0.0000 O   0  0
    6.5000   -3.7500    0.0000 C   0  0
    7.7989   -4.5002    0.0000 C   0  0
    9.0981   -3.7506    0.0000 C   0  0
    9.0985   -2.2506    0.0000 C   0  0
    7.8000   -1.5000    0.0000 C   0  0
    6.5000   -2.2500    0.0000 C   0  0
    7.8000    0.0000    0.0000 C   0  0
    6.5000    0.7500    0.0000 N   0  0
    6.5000    2.2500    0.0000 C   0  0
    7.7988    3.0002    0.0000 N   0  0
    9.0981    2.2506    0.0000 C   0  0
    9.0985    0.7506    0.0000 C   0  0
    5.2000    3.0000    0.0000 N   0  0
    3.9000    2.2500    0.0000 C   0  0
    3.8990    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 C   0  0
    1.3010    0.7500    0.0000 C   0  0
    1.3000    2.2500    0.0000 C   0  0
    2.6000    3.0000    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14  9  1  0
 13 15  1  0
 15 16  2  3
 16 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 15  1  0
 17 21  1  0
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  3
 25 26  1  0
 26 27  2  3
 27 22  1  0
 26 28  1  0
 28  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14004

> <plate>
PLATE 004

> <well>
G4

> <supplier_cmpd_name>
SB1317 hydrochloride (937270-47-8(free base))

> <ctcr_id>
11554

> <supplier_cmpd_id>
T4227

> <smiles>
CN1C/C=C/CCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1

> <pd_targets>
{CSF1R,JAK1,CDK1,JAK2,CDK5,TYK2,FLT3,CDK3,CYP2D6,CDK9,CCNK,CCNE1,CDK2,CDK5R1,CCNA1,CCNA2,CCNB1,CCNH,CDK7,MNAT1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Cytochrome P450","Protein Kinase","Cytochrome P450 family 2","TK protein kinase group","CMGC protein kinase group","Cytochrome P450 family 2D","Tyrosine protein kinase PDGFR family","T
yrosine protein kinase JakA family","CMGC protein kinase CDK family","Cytochrome P450 2D6","CMGC protein kinase CDC2 subfamily","CMGC protein kinase CDK5 subfamily","CMGC protein kinase CDK9 subfamily
","CMGC protein kinase CDK7 subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Cytochrome P450","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","CYP2 family: drug metabolising subset","TK: Tyrosi
ne kinase","Cyclin-dependent kinase (CDK) family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","CDK1 subfamily","CDK5 subfamily","CDK9 subfamily","CDK7 subfamily","Type I
II RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Gene expression (Transcription)","Immune System","Cell Cycle","Signal Transduction",Metabolism,Disease,"RNA Polymerase II Transcription","Cytokine Signaling in Immune system",Mitotic,"Signaling by R
eceptor Tyrosine Kinases","Biological oxidations","Infectious disease","Generic Transcription Pathway","Interferon Signaling","Regulation of mitotic cell cycle","Mitotic G1 phase and G1/S transition",
"Signaling by Insulin receptor","Phase I - Functionalization of compounds","HIV Infection","Transcriptional Regulation by VENTX","Antiviral mechanism by IFN-stimulated genes","APC/C-mediated degradati
on of cell cycle proteins","G1 Phase","Transcriptional Regulation by TP53","Interferon alpha/beta signaling","Insulin receptor signalling cascade","Cytochrome P450 - arranged by substrate type","HIV L
ife Cycle","ISG15 antiviral mechanism","Activation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Cyclin D associated events in G1","Regulation of TP53 Activity","Regulation of IF
NA signaling","IRS-mediated signalling",Xenobiotics,"Late Phase of HIV Life Cycle","APC/C:Cdc20 mediated degradation of mitotic proteins","Regulation of TP53 Activity through Phosphorylation","PI3K Ca
scade","CYP2E1 reactions","Transcription of the HIV genome","Regulation of TP53 Expression and Degradation","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycl
e checkpoint","HIV Transcription Elongation","Regulation of TP53 Degradation","Cdc20:Phospho-APC/C mediated degradation of Cyclin A","Tat-mediated elongation of the HIV-1 transcript","Formation of HIV
-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{CDK1,CDK2,CDK7,CDK9,FLT3,JAK2}

> <broad_moa>
{"CDK inhibitor","FLT3 inhibitor","JAK inhibitor"}

> <synonyms>
{SB1317,TG02,937270-47-8,937270478,Zotiraciclib,TG-02,SB-1317,EX45,CHEMBL1944698,UNII-40D08182TT,UNII40D08182TT,1204918-72-8,1204918728,40D08182TT,"TG02 (SB1317)","Zotiraciclib (USAN)",C23H24N4O,Tube0
11,"SB-1317 free base","SB1317 free base",SCHEMBL823947,"TG02 (WHO-DD)","TG02 (WHODD)",GTPL9095,SCHEMBL2298965,SCHEMBL1,T4227,T2653,"SB1317 hydrochloride (937270-47-8(free base))"}

> <pdid>
PD012633

> <targets>
{CDK2,FLT3,JAK2,CDK,JAK}

> <classes>
{Angiogenesis,Cell Cycle/Checkpoint,Chromatin/Epigenetic,Tyrosine Kinase/Adaptors,JAK/STAT signaling,Stem Cells,Cell Cycle/DNA Damage,Epigenetics,JAK/STAT Signaling,Protein Tyrosine Kinase/RTK,Stem Ce
ll/Wnt}

> <pubchem_cids>
{16739650}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 20 20  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -3.8983   -0.7459    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -2.6031    2.9979    0.0000 C   0  0
   -3.9015    2.2469    0.0000 N   0  0
   -1.3087    5.2502    0.0000 C   0  0
   -2.6096    5.9969    0.0000 O   0  0
   -0.0118    6.0039    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9  4  1  0
  9 10  1  0
  8 11  1  0
 11 12  1  0
 11 13  1  0
  6 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  3  0
 15 18  1  0
 18 19  2  0
 18 20  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14005

> <plate>
PLATE 004

> <well>
G5

> <supplier_cmpd_name>
ST 271

> <ctcr_id>
12707

> <supplier_cmpd_id>
T4511

> <smiles>
CC(C)c1cc(cc(c1O)C(C)C)/C=C(\C#N)/C(=O)N

> <pd_targets>
{EGFR}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type I RTKs: ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by GPCR","GPCR downstream signalling","G alpha (q) signalling events","Gastrin-CREB signalling pathway via PKC and MAPK","EGFR Transactivation by Gastrin"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{ST271,106392-48-7,106392487,ST-271,"ST 271",CHEMBL504173,"2-Propenamide, 2-cyano-3-(4-hydroxy-3,5-bis(1-methylethyl)phenyl)-","2Propenamide, 2cyano3(4hydroxy3,5bis(1methylethyl)phenyl)","(E)-2-cyano-
3-(4-hydroxy-3,5-di(propan-2-yl)phenyl)prop-2-enamide","(E)2cyano3(4hydroxy3,5di(propan2yl)phenyl)prop2enamide",BCP20728,BDBM50292512,s6522,CS-7555,CS7555,"ST-271; ST 271","ST271; ST 271",BS-14310,BS1
4310,T4511}

> <pdid>
PD063886

> <targets>
{PTK}

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

> <pubchem_cids>
{6439072}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 36 40  0  0  0  0            999 V2000
    6.4451   -1.8434    0.0000 C   0  0
    4.9531   -1.9978    0.0000 N   0  0
    3.9511   -0.8815    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 C   0  0
    4.2010   -3.2956    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 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   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 C   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 C   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    0.0134   -5.9950    0.0000 F   0  0
   -2.5826   -7.5048    0.0000 N   0  0
   -3.8808   -8.2579    0.0000 C   0  0
   -5.1811   -7.5101    0.0000 O   0  0
   -3.8787   -9.7587    0.0000 C   0  0
   -3.2421  -10.9902    0.0000 C   0  0
   -2.4942   -9.6900    0.0000 C   0  0
   -5.1775  -10.5116    0.0000 C   0  0
   -6.4776   -9.7634    0.0000 O   0  0
   -5.1759  -12.0124    0.0000 N   0  0
   -6.4743  -12.7650    0.0000 C   0  0
   -6.4749  -14.2651    0.0000 C   0  0
   -7.7742  -15.0147    0.0000 C   0  0
   -9.0730  -14.2643    0.0000 C   0  0
   -9.0725  -12.7643    0.0000 C   0  0
   -7.7732  -12.0147    0.0000 C   0  0
   -5.1932   -3.0131    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
  4  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
 11 13  1  0
 13 14  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
 17 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 24  1  0
 24 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
 15 36  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14006

> <plate>
PLATE 004

> <well>
G6

> <supplier_cmpd_name>
c-Kit-IN-1

> <ctcr_id>
12584

> <supplier_cmpd_id>
T4332

> <smiles>
Cn1cc(cn1)c1nccc(c1)Oc1c(cc(c(c1)F)NC(=O)C1(CC1)C(=O)Nc1ccccc1)F

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{KIT,PDGFRA}

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

> <synonyms>
{KITIN,1225278-16-9,1225278169,c-Kit-IN-1,cKitIN1,SCHEMBL2450218,CHEMBL4303619,BCP05207,EX-A2047,EXA2047,"DCC 2618;DCC2618",s8721,ZINC68206341,BCP9000592,CCG-269606,CCG269606,CS-1408,CS1408,NCGC003789
74-02,NCGC0037897402,AC-30304,AC30304,AK547117,AS-55990,AS55990,HY-15240,HY15240,W-5946,W5946,Q27076996,T4332}

> <pdid>
PD012615

> <targets>
{c-Kit,c-Met,c-Met/HGFR}

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

> <pubchem_cids>
{46208890}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 34 38  0  0  0  0            999 V2000
    2.5569  -12.0048    0.0000 C   0  0
    2.5644  -10.5048    0.0000 N   0  0
    3.8672   -9.7614    0.0000 C   0  0
    3.8748   -8.2614    0.0000 C   0  0
    2.5795   -7.5047    0.0000 N   0  0
    1.2767   -8.2483    0.0000 C   0  0
    1.2692   -9.7483    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 C   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.4133    1.7530    0.0000 C   0  0
   -3.8805    1.4410    0.0000 C   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -0.3115    2.9665    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.5987   -1.5004    0.0000 C   0  0
   -3.8991   -0.7525    0.0000 C   0  0
   -5.1969   -1.5046    0.0000 C   0  0
   -6.4994   -0.7589    0.0000 C   0  0
   -7.7969   -1.5132    0.0000 C   0  0
   -9.0936   -2.2671    0.0000 N   0  0
   -5.1945   -3.0046    0.0000 C   0  0
   -3.8943   -3.7525    0.0000 C   0  0
   -2.5964   -3.0004    0.0000 C   0  0
    1.2935   -3.7495    0.0000 C   0  0
    1.2883   -5.2495    0.0000 C   0  0
   -0.0133   -5.9950    0.0000 F   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 15  1  0
 16 21  1  0
 21 22  2  0
 22 13  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  3  0
 25 29  2  0
 29 30  1  0
 30 31  2  0
 31 23  1  0
 11 32  1  0
 32 33  2  0
 33  8  1  0
 33 34  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14007

> <plate>
PLATE 004

> <well>
G7

> <supplier_cmpd_name>
SGI-7079

> <ctcr_id>
11978

> <supplier_cmpd_id>
T6982

> <smiles>
CN1CCN(CC1)c1ccc(Nc2nc3c(c(C)c[nH]3)c(n2)c2cc(CC#N)ccc2)cc1F

> <pd_targets>
{AXL}

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

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

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

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{GI707,SGI-7079,SGI7079,1239875-86-5,1239875865,CHEMBL3809908,SCHEMBL3032802,BCP21014,EX-A1513,EXA1513,"SGI 7079; SGI707",BDBM50172076,s7847,ZINC143157631,ACN-052936,ACN052936,CCG-269290,CCG269290,CS-
5607,CS5607,AC-31429,AC31429,HY-12964,HY12964,LS-15137,LS15137,DS-002524,DS002524,T6982}

> <pdid>
PD071555

> <targets>
{VEGFR,Met,RET,FLT3,Yes,AXL,Mer,"TAM Receptor"}

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

> <pubchem_cids>
{46870258}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 24 25  0  0  0  0            999 V2000
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 N   0  0
   -7.8003    1.4887    0.0000 C   0  0
   -7.8029    2.9887    0.0000 O   0  0
   -9.0990    0.7364    0.0000 C   0  0
  -10.4003    1.4841    0.0000 C   0  0
  -11.6990    0.7318    0.0000 C   0  0
  -13.0007    1.4773    0.0000 C   0  0
  -14.2971    0.7228    0.0000 C   0  0
  -14.2919   -0.7772    0.0000 C   0  0
  -12.9903   -1.5227    0.0000 C   0  0
  -11.6938   -0.7682    0.0000 C   0  0
  -15.5883   -1.5317    0.0000 O   0  0
  -15.5987    1.4683    0.0000 O   0  0
   -9.0964   -0.7644    0.0000 C   0  0
   -9.0937   -2.2644    0.0000 N   0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  1  1  0
  4  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 15  1  0
 18 21  1  0
 17 22  1  0
 13 23  1  0
 23 24  3  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14008

> <plate>
PLATE 004

> <well>
G8

> <supplier_cmpd_name>
AG 555

> <ctcr_id>
11555

> <supplier_cmpd_id>
T4326

> <smiles>
c1ccc(cc1)CCCNC(=O)/C(=C/c1cc(c(cc1)O)O)/C#N

> <pd_targets>
{HIF1A,ALOX12,BLM,THPO,TP53,CYP2D6,ERBB2,KMT2A,MEN1,LMNA,RECQL,NFKB1,EGFR,HSD17B10,KDM4E,CYP2C19,RORC,ALOX15,ALD,CHRM1,POLB,CYP3A4,HSP90AA1,HSP90AB1,MAPT,ALDH1A1,HPGD,GAA,JAK2,FTL,MAPK1,NPSR1,CYP1A2,G
MNN,NR5A1,FFP,PMP22,ALPL,GRIN1,GRIN2B,GRIN2C,MTOR}

> <pathway_gtopdb>
{"Transcription factor",Enzyme,"Unclassified protein","Epigenetic regulator","Other nuclear protein","Other cytosolic protein","Membrane receptor","Ion channel","Cytochrome P450",Kinase,Reader,Oxidore
ductase,Eraser,"Nuclear receptor","Family A G protein-coupled receptor",Hydrolase,Transferase,Phosphatase,"Ligand-gated ion channel","Cytochrome P450 family 2","Protein Kinase",Bromodomain,"Lysine dem
ethylase","Nuclear hormone receptor subfamily 1","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Peptide receptor (family A GPCR)","Cytochrome P450 family 1","Nuclear hormone rec
eptor subfamily 5","Ionotropic glutamate receptor","Cytochrome P450 family 2D","TK protein kinase group","Jumonji domain-containing","Cytochrome P450 family 2C","Nuclear hormone receptor subfamily 1 g
roup F","Monoamine receptor","Cytochrome P450 family 3A","CMGC protein kinase group","Short peptide receptor (family A GPCR)","Cytochrome P450 family 1A","Nuclear hormone receptor subfamily 5 group A"
,"NMDA receptor","Atypical protein kinase group","Cytochrome P450 2D6","Tyrosine protein kinase EGFR family","Cytochrome P450 2C19","Nuclear hormone receptor subfamily 1 group F member 3","Acetylcholi
ne receptor","Cytochrome P450 3A4","Tyrosine protein kinase JakA family","CMGC protein kinase MAPK family","Neuropeptide receptor","Cytochrome P450 1A1","Nuclear hormone receptor subfamily 5 group A m
ember 1","Atypical protein kinase PIKK family","CMGC protein kinase ERK1","Atypical protein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Other protein targets","Eicosanoid turnover","Cytochrome P450","Catalytic receptors","Chromatin modifying enzymes","Nuclear hormone receptors","G protein-coupled receptors","3.2.1.
- Glycosidases","Heat shock proteins","Kinases (EC 2.7.x.x)",Lipoxygenases,"CYP2 family: drug metabolising subset","Receptor kinases","1.14.11.- Histone demethylases","1F. Retinoic acid-related orphan
s","Acetylcholine receptors (muscarinic)","CYP3 family","Prostaglandin synthases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Neuropeptide S receptor","CYP1 family","5A. Fushi tarazu F1-like rece
ptors",Atypical,"TK: Tyrosine kinase","Mitogen-activated protein kinases (MAP kinases)","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","Receptor tyrosine kinases (RTKs)","Non-receptor
 tyrosine kinases (nRTKs)","ERK subfamily","FRAP subfamily","Type I RTKs: ErbB (epidermal growth factor) receptor family","Janus kinase (JakA) family"}

> <pathway_reactome>
{"Cellular responses to external stimuli",Metabolism,"DNA Repair",Hemostasis,"Cell Cycle","Developmental Biology","Immune System","Signal Transduction","Gene expression (Transcription)","Neuronal Syst
em",Disease,"Vesicle-mediated transport","Metabolism of proteins","Cellular responses to stress","Metabolism of lipids","DNA Double-Strand Break Repair","Platelet activation","signaling and aggregatio
n","Cell Cycle Checkpoints","Biological oxidations","Nervous system development",Mitotic,"Cytokine Signaling in Immune system","Signaling by GPCR","Metabolism of amino acids and derivatives","RNA Poly
merase II Transcription","Base Excision Repair","Transmission across Chemical Synapses","Diseases of metabolism","Membrane Trafficking","Innate Immune System","Infectious disease","Post-translational 
protein modification","Cellular response to hypoxia","Biosynthesis of specialized proresolving mediators (SPMs)","Homology Directed Repair","Platelet Aggregation (Plug Formation)","G1/S DNA Damage Che
ckpoints","Phase I - Functionalization of compounds","Axon guidance","M Phase","Signaling by Interleukins","GPCR downstream signalling","Branched-chain amino acid catabolism","Generic Transcription Pa
thway","GPCR ligand binding","Resolution of Abasic Sites (AP sites)","Neurotransmitter receptors and postsynaptic signal transmission","Diseases of carbohydrate metabolism","Mitotic G2-G2/M phases","M
itotic G1 phase and G1/S transition","trans-Golgi Network Vesicle Budding","Toll-like Receptor Cascades","Leishmania infection",SUMOylation,"EGR2 and SOX10-mediated initiation of Schwann cell myelinat
ion","Post-translational modification: synthesis of GPI-anchored proteins","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Biosynthesis of DPA-derived SPMs","HDR through Ho
mologous Recombination (HRR) or Single Strand Annealing (SSA)","p53-Dependent G1/S DNA damage checkpoint","Cytochrome P450 - arranged by substrate type","Semaphorin interactions","Mitotic Metaphase an
d Anaphase","Interleukin-1 family signaling","G alpha (q) signalling events","Transcriptional regulation by RUNX3","Class A/1 (Rhodopsin-like receptors)","Resolution of AP sites via the multiple-nucle
otide patch replacement pathway","Biosynthesis of DHA-derived SPMs","Activation of NMDA receptors and postsynaptic events","Ethanol oxidation","Glycogen storage diseases","G2/M Transition","G1 Phase",
"Golgi Associated Vesicle Biogenesis","Toll Like Receptor 5 (TLR5) Cascade","Leishmania parasite growth and survival","G1/S Transition","SUMO E3 ligases SUMOylate target proteins","Transcriptional Reg
ulation by TP53","Biosynthesis of DPAn-3 SPMs","HDR through Homologous Recombination (HRR)","p53-Dependent G1 DNA Damage Response",Xenobiotics,"Sema4D in semaphorin signaling","Mitotic Anaphase","Inte
rleukin-1 signaling","Gastrin-CREB signalling pathway via PKC and MAPK","RUNX3 Regulates Immune Response and Cell Migration","Amine ligand-binding receptors","PCNA-Dependent Long Patch Base Excision R
epair","Biosynthesis of maresins","Post NMDA receptor activation events","Biosynthesis of D-series resolvins","Glycogen storage disease type II (GAA)","Centrosome maturation","Cyclin D associated even
ts in G1","MyD88 cascade initiated on plasma membrane","Anti-inflammatory response favouring Leishmania parasite infection","Activation of the pre-replicative complex","SUMOylation of intracellular re
ceptors","Regulation of TP53 Activity","Biosynthesis of DPAn-3-derived maresins","Homologous DNA Pairing and Strand Exchange","Stabilization of p53","CYP2E1 reactions","Sema4D induced cell migration a
nd growth-cone collapse","Nuclear Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","EGFR Transactivation by Gastrin","Biosynthesis of DPAn-3-derived protectins and resolvins","Mu
scarinic acetylcholine receptors","Biosynthesis of maresin-like SPMs","Activation of AMPK downstream of NMDARs","Loss of proteins required for interphase microtubule organization from the centrosome",
"MAP kinase activation","ADORA2B mediated anti-inflammatory cytokines production","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","Regulation of TP53 Expression and Degradation","Pr
esynaptic phase of homologous DNA pairing and strand exchange","Autodegradation of the E3 ubiquitin ligase COP1","Initiation of Nuclear Envelope (NE) Reformation","Loss of Nlp from mitotic centrosomes
","MAPK targets/ Nuclear events mediated by MAP kinases","Regulation of TP53 Degradation","ERK/MAPK targets","ERKs are inactivated"}

> <broad_targets>
{CDK2}

> <broad_moa>
{"tyrosine kinase inhibitor"}

> <synonyms>
{"AG 555","TYRPHOSTIN AG 555",133550-34-2,133550342,"Tyrphostin B46",AG-555,AG555,ag555,MLS000069704,SMR000058519,CHEMBL53898,"(E)-2-Cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)-2-propenamide","(E
)2Cyano3(3,4dihydroxyphenyl)N(3phenylpropyl)2propenamide",(E)-2-cyano-3-(3,(E)2cyano3(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enam,4dihydroxyphenyl)N(3phenylpropyl)prop2enam,T4326}

> <pdid>
PD014997

> <targets>
{EGFR,Reverse Transcriptase}

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

> <pubchem_cids>
{5328770}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 38 43  0  0  0  0            999 V2000
  -13.0241    1.9237    0.0000 C   0  0
  -11.5847    2.3457    0.0000 N   0  0
  -10.4996    1.3100    0.0000 C   0  0
   -9.0601    1.7320    0.0000 C   0  0
   -8.7057    3.1896    0.0000 N   0  0
   -7.2663    3.6141    0.0000 C   0  0
   -6.1795    2.5802    0.0000 C   0  0
   -4.7407    3.0044    0.0000 C   0  0
   -4.3886    4.4626    0.0000 N   0  0
   -2.9498    4.8893    0.0000 C   0  0
   -1.8614    3.8572    0.0000 C   0  0
   -0.4233    4.2837    0.0000 C   0  0
   -0.0736    5.7424    0.0000 C   0  0
    1.3661    6.1662    0.0000 N   0  0
    2.4537    5.1320    0.0000 C   0  0
    3.8933    5.5535    0.0000 N   0  0
    4.9781    4.5176    0.0000 C   0  0
    4.6234    3.0602    0.0000 C   0  0
    5.7080    2.0239    0.0000 Cl  0  0
    3.1884    2.6409    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    2.0990    3.6745    0.0000 N   0  0
   -1.1621    6.7745    0.0000 C   0  0
   -0.8153    8.2347    0.0000 O   0  0
   -1.9052    9.2653    0.0000 C   0  0
   -2.6002    6.3480    0.0000 C   0  0
   -5.4755    5.4964    0.0000 C   0  0
   -6.9143    5.0722    0.0000 C   0  0
   -9.7910    4.2252    0.0000 C   0  0
  -11.2304    3.8032    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  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 21  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 20 30  2  0
 30 15  1  0
 13 31  1  0
 31 32  1  0
 32 33  1  0
 31 34  2  0
 34 10  1  0
  9 35  1  0
 35 36  1  0
 36  6  1  0
  5 37  1  0
 37 38  1  0
 38  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14009

> <plate>
PLATE 004

> <well>
G9

> <supplier_cmpd_name>
HG-14-10-04

> <ctcr_id>
12617

> <supplier_cmpd_id>
T4015

> <smiles>
CN1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(c5c[nH]c6c5cccc6)n4)c(OC)c3)CC2)CC1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{G14100,HG-14-10-04,HG141004,1356962-34-9,1356962349,SCHEMBL517288,CHEBI:95092,HMS3672I03,BCP24835,EX-A2545,EXA2545,s6513,AKOS030526448,ZINC114002844,CS-3257,CS3257,NCGC00390583-01,NCGC0039058301,HY-1
5801,HY15801,A16267,Q27166857,T4015}

> <pdid>
PD038920

> <targets>
{ALK}

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

> <pubchem_cids>
{56655374}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 22 22  0  0  0  0            999 V2000
    3.8983   -0.7512    0.0000 C   0  0
    2.5988   -1.5004    0.0000 C   0  0
    2.5983   -3.0004    0.0000 C   0  0
    3.8975   -2.2510    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -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
   -2.6039    2.9994    0.0000 C   0  0
   -2.6039    1.4994    0.0000 N   0  0
   -3.9032    3.7490    0.0000 S   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.5988   -1.5004    0.0000 C   0  0
   -3.8983   -0.7513    0.0000 C   0  0
   -2.5983   -3.0004    0.0000 C   0  0
   -3.8975   -2.2510    0.0000 C   0  0
  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  3
  9 10  1  0
 10 11  3  0
  9 12  1  0
 12 13  1  0
 12 14  2  0
  7 15  2  0
 15 16  1  0
 16 17  2  0
 17  5  1  0
 17 18  1  0
 16 19  1  0
 19 20  1  0
 19 21  1  0
 19 22  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14010

> <plate>
PLATE 004

> <well>
G10

> <supplier_cmpd_name>
Tyrphostin AG 879

> <ctcr_id>
3991

> <supplier_cmpd_id>
T6712

> <smiles>
CC(C)(C)c1cc(C=C(C#N)C(N)=S)cc(c1O)C(C)(C)C

> <pd_targets>
{HSD17B10,MAPT,CYP2C19,HIF1A,PMP22,CHRM1,CYP2D6,CYP3A4,CYP1A2,TSHR,BLM,LMNA,ALDH1A1,LEF,THPO,GMNN,RECQL,KMT2A,MEN1,NFKB1,HPGD,CYP2C9,KDM4E,FTL,ALOX15,APEX1,MTOR,EPHA3}

> <pathway_gtopdb>
{Enzyme,"Other cytosolic protein","Transcription factor","Unclassified protein","Membrane receptor","Other nuclear protein","Epigenetic regulator",Oxidoreductase,"Cytochrome P450","Family A G protein-
coupled receptor",Protease,Reader,Eraser,Kinase,"Cytochrome P450 family 2","Small molecule receptor (family A GPCR)","Cytochrome P450 family 3","Cytochrome P450 family 1","Peptide receptor (family A G
PCR)","Metallo protease",Bromodomain,"Lysine demethylase","Protein Kinase","Cytochrome P450 family 2C","Monoamine receptor","Cytochrome P450 family 2D","Cytochrome P450 family 3A","Cytochrome P450 fam
ily 1A","Glycohormone receptor","Metallo protease MAE clan","Jumonji domain-containing","Atypical protein kinase group","TK protein kinase group","Cytochrome P450 2C19","Acetylcholine receptor","Cytoc
hrome P450 2D6","Cytochrome P450 3A4","Cytochrome P450 1A1","Metallo protease M34 family","Cytochrome P450 2C9","Atypical protein kinase PIKK family","Tyrosine protein kinase Eph family","Atypical pro
tein kinase FRAP subfamily"}

> <pathway_chembl>
{Enzymes,Receptors,"Cytochrome P450","G protein-coupled receptors","Eicosanoid turnover","Chromatin modifying enzymes","Kinases (EC 2.7.x.x)","Catalytic receptors","CYP2 family: drug metabolising subs
et","Acetylcholine receptors (muscarinic)","CYP3 family","CYP1 family","Glycoprotein hormone receptors","Prostaglandin synthases","1.14.11.- Histone demethylases","2.1.1.43 Histone methyltransferases 
(HMTs)",Lipoxygenases,Atypical,"Receptor kinases","Phosphatidyl inositol 3' kinase-related kinases (PIKK) family","TK: Tyrosine kinase","FRAP subfamily","Receptor tyrosine kinases (RTKs)","Type XIII R
TKs: Ephrin receptor family"}

> <pathway_reactome>
{Metabolism,"Neuronal System","Cellular responses to external stimuli","Developmental Biology","Signal Transduction",Disease,"DNA Repair","Cell Cycle",Hemostasis,"Immune System","Gene expression (Tran
scription)","Vesicle-mediated transport","Metabolism of amino acids and derivatives","Transmission across Chemical Synapses","Biological oxidations","Cellular responses to stress","Nervous system deve
lopment","Signaling by GPCR","Metabolism of lipids","Infectious disease","DNA Double-Strand Break Repair",Mitotic,"Platelet activation","signaling and aggregation","Cytokine Signaling in Immune system
","RNA Polymerase II Transcription","Membrane Trafficking","Base Excision Repair","Branched-chain amino acid catabolism","Neurotransmitter receptors and postsynaptic signal transmission","Phase I - Fu
nctionalization of compounds","Cellular response to hypoxia","EGR2 and SOX10-mediated initiation of Schwann cell myelination","GPCR ligand binding","Biosynthesis of specialized proresolving mediators 
(SPMs)","Leishmania infection","Homology Directed Repair","M Phase","Uptake and actions of bacterial toxins","Platelet Aggregation (Plug Formation)","Mitotic G1 phase and G1/S transition","Signaling b
y Interleukins","Generic Transcription Pathway","trans-Golgi Network Vesicle Budding","Resolution of Abasic Sites (AP sites)","Axon guidance","Activation of NMDA receptors and postsynaptic events","Cy
tochrome P450 - arranged by substrate type","Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha","Class A/1 (Rhodopsin-like receptors)","Biosynthesis of DHA-derived SPMs","Leishm
ania parasite growth and survival","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","Mitotic Metaphase and Anaphase","Ethanol oxidation","Uptake and function of anthrax to
xins","G1/S Transition","Interleukin-1 family signaling","Transcriptional regulation by RUNX1","Golgi Associated Vesicle Biogenesis","Biosynthesis of DPA-derived SPMs","Resolution of AP sites via the 
multiple-nucleotide patch replacement pathway","Transcriptional Regulation by TP53","EPH-Ephrin signaling","Post NMDA receptor activation events",Xenobiotics,"Amine ligand-binding receptors","Biosynth
esis of maresins","Anti-inflammatory response favouring Leishmania parasite infection","HDR through Homologous Recombination (HRR)","Mitotic Anaphase","Activation of the pre-replicative complex","Inte
rleukin-1 signaling","Biosynthesis of D-series resolvins","RUNX1 regulates genes involved in megakaryocyte differentiation and platelet function","Biosynthesis of DPAn-3 SPMs","PCNA-Dependent Long Pat
ch Base Excision Repair","Regulation of TP53 Activity","EPHA-mediated growth cone collapse","Activation of AMPK downstream of NMDARs","CYP2E1 reactions","Muscarinic acetylcholine receptors","Biosynthe
sis of maresin-like SPMs","Aromatic amines can be N-hydroxylated or N-dealkylated by CYP1A2","ADORA2B mediated anti-inflammatory cytokines production","Homologous DNA Pairing and Strand Exchange","Nuc
lear Envelope (NE) Reassembly","MAP3K8 (TPL2)-dependent MAPK1/3 activation","Biosynthesis of DPAn-3-derived protectins and resolvins","Regulation of TP53 Expression and Degradation","Presynaptic phase
 of homologous DNA pairing and strand exchange","Initiation of Nuclear Envelope (NE) Reformation","Regulation of TP53 Degradation"}

> <broad_targets>
{ERBB2,KDR,NTRK1}

> <broad_moa>
{"tyrosine kinase inhibitor"}

> <synonyms>
{G87,CBiol_001931,CBiol001931,CBiol-001931,"CBiol 001931",KBioGR_000118,KBioGR000118,KBioGR-000118,"KBioGR 000118",KBioSS_000118,KBioSS000118,KBioSS-000118,"KBioSS 000118",KBio2_000118,KBio2000118,KBi
o2-000118,"KBio2 000118",KBio2_002686,KBio2002686,KBio2-002686,"KBio2 002686",KBio2_005254,KBio2005254,KBio2-005254,"KBio2 005254",KBio3_000235,KBio3000235,KBio3-000235,"KBio3 000235",KBio3_000236,KBi
o3000236,KBio3-000236,"KBio3 000236",Bio1_000217,Bio1000217,Bio1-000217,"Bio1 000217",Bio1_000706,Bio1000706,Bio1-000706,"Bio1 000706",Bio1_001195,Bio1001195,Bio1-001195,"Bio1 001195",Bio2_000118,Bio2
000118,Bio2-000118,"Bio2 000118",Bio2_000598,Bio2000598,Bio2-000598,"Bio2 000598",HMS3651L13,AKOS025243758,ZINC100435325,AK167468,"AG 879 pound>>AG-879 pound>>AG879","AG 879 pound>>AG879 pound>>AG879"
,EI-258,S2816,AG-879,"Tyrphostin AG 879"}

> <pdid>
PD002600

> <targets>
{NGFRK,HER2}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{3036144}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 31 34  0  0  0  0            999 V2000
    2.5965   -3.0004    0.0000 C   0  0
    3.8943   -3.7525    0.0000 N   0  0
    5.1945   -3.0045    0.0000 C   0  0
    6.4924   -3.7566    0.0000 Cl  0  0
    5.1969   -1.5045    0.0000 C   0  0
    6.4963   -0.7535    0.0000 N   0  0
    6.4965    0.7473    0.0000 S   0  0
    7.7952    1.4979    0.0000 O   0  0
    5.1974    1.4971    0.0000 O   0  0
    6.4961    2.2473    0.0000 C   0  0
    3.8991   -0.7525    0.0000 C   0  0
    2.5987   -1.5004    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2982    3.7531    0.0000 N   0  0
    1.2960    5.2539    0.0000 C   0  0
    2.5925    6.0085    0.0000 C   0  0
    2.5873    7.5085    0.0000 C   0  0
    3.8837    8.2630    0.0000 Cl  0  0
    1.2856    8.2540    0.0000 C   0  0
    1.2804    9.7540    0.0000 F   0  0
   -0.0108    7.4995    0.0000 C   0  0
   -0.0056    5.9995    0.0000 C   0  0
   -1.2991    3.7500    0.0000 N   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  2  0
  7 10  1  0
  5 11  1  0
 11 12  2  0
 12  1  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 22 24  1  0
 24 25  2  0
 25 18  1  0
 16 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 15  1  0
 29 30  1  0
 30 31  2  0
 31 13  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14011

> <plate>
PLATE 004

> <well>
G11

> <supplier_cmpd_name>
MTX-211

> <ctcr_id>
11556

> <supplier_cmpd_id>
T4296

> <smiles>
c1nc(Cl)c(NS(=O)(=O)C)cc1c1cc2c(Nc3cc(Cl)c(F)cc3)ncnc2cc1

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{TX21,MTX-211,MTX211,1952236-05-3,1952236053,SCHEMBL17845979,AMY16799,BCP25988,EX-A1821,EXA1821,"MTX 211?",MTX-211?,MTX211?,NSC787583,NSC803248,s6541,CS-7929,CS7929,NSC-787583,NSC-803248,AC-30347,AC30
347,HY-107364,HY107364,"MTX-211; MTX211; MTX 211,1952236-05-3","MTX211; MTX211; MTX 211,1952236053",ClC1=NC=C(C=C1NS(=O)(=O)C)C=1C=C2C(=NC=NC,T4296}

> <pdid>
PD087516

> <targets>
{EGFR,PI3K}

> <classes>
{Angiogenesis,"PI3K/Akt/mTOR signaling","JAK/STAT signaling","Tyrosine Kinase/Adaptors"}

> <pubchem_cids>
{121416213}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 25 28  0  0  0  0            999 V2000
    7.7884    1.5181    0.0000 Cl  0  0
    6.4920    0.7636    0.0000 C   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5973    1.5031    0.0000 C   0  0
   -2.5951    3.0039    0.0000 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 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
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 12  1  0
 10 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23  7  1  0
 23 18  1  0
  5 24  1  0
 24 25  2  0
 25  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14012

> <plate>
PLATE 004

> <well>
H2

> <supplier_cmpd_name>
Vatalanib 2HCl

> <ctcr_id>
4984

> <supplier_cmpd_id>
T6720

> <smiles>
Clc1ccc(Nc2nnc(Cc3ccncc3)c4ccccc24)cc1

> <pd_targets>
{KDR,FLT4,FLT1,KIT,PDGFRA,CDK19,CIT,FRK,PDGFRB,RET,HLA-A,EGFR,PTK6,STK3,RPS6KB1,MAP3K20,DDR1,CDK8,CSF1R,MAP3K19}

> <pathway_gtopdb>
{Enzyme,"Surface antigen",Kinase,"Protein Kinase","TK protein kinase group","CMGC protein kinase group","AGC protein kinase group","STE protein kinase group","TKL protein kinase group","Tyrosine prote
in kinase VEGFR family","Tyrosine protein kinase PDGFR family","CMGC protein kinase CDK family","AGC protein kinase DMPK family","Tyrosine protein kinase Src family","Tyrosine protein kinase Ret famil
y","Tyrosine protein kinase EGFR family","STE protein kinase STE20 family","AGC protein kinase RSK family","TKL protein kinase MLK family","Tyrosine protein kinase DDR family","STE protein kinase STE1
1 family","CMGC protein kinase CDK8 subfamily","AGC protein kinase CRIK subfamily","STE protein kinase MST subfamily","AGC protein kinase p70 subfamily","TKL protein kinase MLK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Ster
ile 7","Sterile 11","Sterile 20 kinases","TK: Tyrosine kinase","Cyclin-dependent kinase (CDK) family","DMPK family","STE20 family","RSK family","TKL: Tyrosine kinase-like","Receptor tyrosine kinases (
RTKs)","CDK8 subfamily","Other DMPK family kinases","Non-receptor tyrosine kinases (nRTKs)","MST subfamily","p70 subfamily","Mixed Lineage Kinase (MLK) family","STE20 subfamily","Type IV RTKs: VEGF (v
ascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Src family","Type XIV RTKs: RET","Type I RTKs: ErbB (epidermal growth factor) receptor famil
y","MLK subfamily","Type XVI RTKs: DDR (collagen receptor) family"}

> <pathway_reactome>
{"Signal Transduction",Disease,Metabolism,"Developmental Biology","Immune System","Cell Cycle","Extracellular matrix organization","Gene expression (Transcription)","Signaling by Receptor Tyrosine Kin
ases","Diseases of signal transduction by growth factor receptors and second messengers","Metabolism of lipids","Signaling by Rho GTPases","Intracellular signaling by second messengers","Nervous syste
m development","Adaptive Immune System","Signaling by GPCR",Mitotic,"Signaling by Hippo","MTOR signalling","Non-integrin membrane-ECM interactions","RNA Polymerase II Transcription","Signaling by VEGF
","Signaling by KIT in disease","Signaling by PDGFR in disease","Regulation of lipid metabolism by PPARalpha","RHO GTPase Effectors","PIP3 activates AKT signaling","Axon guidance","Class I MHC mediate
d antigen processing & presentation","GPCR downstream signalling","Mitotic G1 phase and G1/S transition","mTORC1-mediated signalling","Signaling by NOTCH1 in Cancer","Generic Transcription Pathway","V
EGFA-VEGFR2 Pathway","VEGF ligand-receptor interactions","Drug resistance of KIT mutants","Drug resistance of PDGFR mutants","PPARA activates gene expression","RHO GTPases activate CIT","PTEN Regulati
on","Negative regulation of the PI3K/AKT network","RET signaling","Antigen processing-Cross presentation","G alpha (q) signalling events","G1 Phase","Signaling by NOTCH1 HD+PEST Domain Mutants in Canc
er","Transcriptional Regulation by VENTX","VEGFR2 mediated cell proliferation","VEGF binds to VEGFR leading to receptor dimerization","Dasatinib-resistant KIT mutants","Imatinib-resistant PDGFR mutant
s","Regulation of PTEN stability and activity",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Endosomal/Vacuolar pathway","Gastrin-CREB signalling pathway via PKC and MAPK","Cyclin D associated eve
nts in G1","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","EGFR Transactivation by Gastrin"}

> <broad_targets>
{EGFR,FLT1,FLT4,KDR,PDGFRB}

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

> <synonyms>
{RESTW135,Vatalanib,212141-54-3,212141543,"Vatalanib base",N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine,N(4chlorophenyl)4(pyridin4ylmethyl)phthalazin1amine,"Vatalanib free base",PTK787,
Pynasunate,Vatalinib,"CGP 79787",PTK-787,"Vatalanib (free base)",ZK-232934,ZK232934,CGP-79787,CGP79787,1-Phthalazinamine,1Phthalazinamine,N-(4-chloro,N(4chloro,T6720,Prestw-1358,"Vatalanib 2HCl",VATAL
ANIB}

> <pdid>
PD008695

> <targets>
{VEGFR-PDGFR,VEGFR,KIT,RET,FMS,PDGFR}

> <classes>
{}

> <pubchem_cids>
{151194}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 31 35  0  0  0  0            999 V2000
   13.2944   -1.5781    0.0000 C   0  0
   11.8261   -1.8848    0.0000 O   0  0
   10.8251   -0.7666    0.0000 C   0  0
    9.3560   -1.0736    0.0000 C   0  0
    8.3549    0.0446    0.0000 O   0  0
    6.8858   -0.2623    0.0000 C   0  0
    5.8837    0.8539    0.0000 C   0  0
    4.4160    0.5441    0.0000 C   0  0
    3.9504   -0.8818    0.0000 C   0  0
    2.5987   -1.5004    0.0000 N   0  0
    2.7345   -2.9814    0.0000 C   0  0
    4.2013   -3.2954    0.0000 N   0  0
    4.9525   -1.9980    0.0000 C   0  0
    6.4202   -1.6882    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0008    0.0000 N   0  0
   -3.8959   -3.7529    0.0000 C   0  0
   -3.8935   -5.2529    0.0000 C   0  0
   -2.5933   -6.0009    0.0000 C   0  0
   -2.5909   -7.5009    0.0000 N   0  0
   -1.2954   -5.2488    0.0000 C   0  0
   -1.2978   -3.7488    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  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
 12 13  1  0
 13  9  1  0
 13 14  2  0
 14  6  1  0
 10 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 26 28  1  0
 28 29  1  0
 29 23  1  0
 22 30  1  0
 30 18  1  0
 30 31  2  0
 31 15  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14013

> <plate>
PLATE 004

> <well>
H3

> <supplier_cmpd_name>
CP-673451

> <ctcr_id>
3726

> <supplier_cmpd_id>
T6091

> <smiles>
COCCOc1ccc2n(cnc2c1)c3ccc4cccc(N5CCC(N)CC5)c4n3

> <pd_targets>
{KIT,PDGFRA,PDGFRB}

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

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

> <pathway_reactome>
{Disease,"Signal Transduction","Diseases of signal transduction by growth factor receptors and second messengers","Intracellular signaling by second messengers","Signaling by KIT in disease","Signalin
g by PDGFR in disease","PIP3 activates AKT signaling","Drug resistance of KIT mutants","Drug resistance of PDGFR mutants","Negative regulation of the PI3K/AKT network","Dasatinib-resistant KIT mutants
","Imatinib-resistant PDGFR mutants",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling"}

> <broad_targets>
{KIT,PDGFRA,PDGFRB}

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

> <synonyms>
{CP-673451,CP673451,343787-29-1,343787291,"CP 673451",UNII-0AM0WWD90A,UNII0AM0WWD90A,"CP-673,451","CP673,451",0AM0WWD90A,1-(2-(5-(2-methoxyethoxy)benzimidazol-1-yl)quinolin-8-yl)piperidin-4-amine,1(2(
5(2methoxyethoxy)benzimidazol1yl)quinolin8yl)piperidin4amine,34U,cc-529,cc529,MLS006010955,SCHEMBL859537,GTPL8069,CHEMBL4303508,DTXSID20187948,EX-A284,EXA284,C,T6091,S1536}

> <pdid>
PD003232

> <targets>
{Others,PDGFR}

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

> <pubchem_cids>
{10158940}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 33  0  0  0  0            999 V2000
    9.4342   -9.8030    0.0000 C   0  0
    8.6883   -8.5016    0.0000 N   0  0
    9.4424   -7.2050    0.0000 C   0  0
    8.6966   -5.9036    0.0000 C   0  0
    7.1965   -5.8987    0.0000 N   0  0
    6.4425   -7.1955    0.0000 C   0  0
    7.1883   -8.4969    0.0000 C   0  0
    6.4482   -4.5978    0.0000 C   0  0
    7.2003   -3.3000    0.0000 C   0  0
    6.4523   -1.9997    0.0000 C   0  0
    4.9523   -1.9974    0.0000 C   0  0
    3.9511   -0.8815    0.0000 N   0  0
    2.5987   -1.5004    0.0000 C   0  0
    2.7343   -2.9815    0.0000 N   0  0
    4.2003   -3.2952    0.0000 C   0  0
    4.9482   -4.5954    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5981    1.5000    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
    1.2990    3.7500    0.0000 F   0  0
   -1.2991    3.7500    0.0000 C   0  0
   -2.5981    3.0000    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 11  1  0
 15 16  2  0
 16  8  1  0
 13 17  1  0
 17 18  2  0
 18 19  1  0
 18 20  1  0
 20 21  2  0
 21 22  1  0
 21 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 20  1  0
 26 27  1  0
 27 28  1  0
 28 17  1  0
 28 29  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14014

> <plate>
PLATE 004

> <well>
H4

> <supplier_cmpd_name>
Dovitinib

> <ctcr_id>
11363

> <supplier_cmpd_id>
T6289

> <smiles>
CN1CCN(CC1)c1ccc2nc([nH]c2c1)-c1c(N)c2c(F)cccc2[nH]c1=O

> <pd_targets>
{MAP3K10,ABL1,EPHB6,SIK2,GAK,EIF2AK4,ALK,LYN,MAP3K4,MAP4K1,EGFR,PDGFRA,AURKB,CDK7,STK16,PKN2,PRKCQ,FGFR2,FGR,CSF1R,DDR1,FLT3,KIT,STK3,TIE1,NTRK3,HIPK1,PRKAA1,ITK,MAP4K4,MYLK2,CDK4,JAK1,LRRK2,LATS1,NTR
K1,CSNK2A2,GSK3B,TYK2,LIMK1,STK11,MAP2K1,MAP2K2,SBK1,MELK,AAK1,STK4,RPS6KA4,GRK1,ULK1,STK39,HUNK,PKNB,MAP2K5,NIM1K,CDKL2,TNIK,BMP2K,NUAK2,FGFR3,MARK4,MARK1,MARK2,DYRK2,NEK6,NEK2,PHKG2,PIP5K1A,RIOK3,MY
LK4,TYRO3,PRPF4B,RPS6KA3,SRPK1,FYN,PRKAA2,LCK,PKN1,PRKD3,RET,FGFR4,CDK17,MERTK,RIPK1,FGFR1,HCK,CDK16,RPS6KA2,INSR,CLK1,KDR,FLT1,RPS6KA6,BMPR2,BRSK1,CAMK2G,MAP3K9,MST1R,CLK2,DCLK3,NEK9,PDGFRB,MAP3K11,S
TK24,PLK4,MAP3K7,NTRK2,NEK7,RPS6KA1,IRAK1,NEK4,PLK2,STK38,RIOK2,MAP3K19,STK25,MYLK3,CSNK2A1,RIOK1,TLK2,RPS6KB1,JAK2,SRC,STK17B,ACVR1,ULK3,MAP3K12,ULK2,MAST1,HIPK2,CDPK1,PHKG1,PAK3,CHEK1,MYLK,PIP4K2B,M
ARK3,SRPK2,FLT4,ANKK1,NUAK1,AXL,EIF2AK2,CLK4,MAP4K3,MUSK,RPS6KA5,BLK,IRAK4,STK10,FRK,CDK18,SLK,CIT,NEK5,AURKC,LATS2,MAP3K20,CAMKK1,PAK4,BTK,PIP5K1C,IKBKE,DDR2,MINK1,CHUK,MAP4K2,MAP3K2,SGK2,STK17A,MAP3
K13,MAPK10,TSSK1B,PRKD2,MAPK8,ROCK1,SRPK3,YES1,STK26,CAMK2D,CSNK1D,MAP4K5,CAMKK2,PRKCD,TBK1,HIPK3,WEE1,DAPK3,JAK3,SGK3,GRK7,PDPK1,PRKX,GRK4,ROCK2,CHEK2,PIM2,VEGFA}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein","Secreted protein",Kinase,Transferase,"Protein Kinase","TKL protein kinase group","TK protein kinase group","CAMK protein kinase group","Other protein kinase group","STE
 protein kinase group","CMGC protein kinase group","AGC protein kinase group","Atypical protein kinase group","CK1 protein kinase group","TKL protein kinase MLK family","Tyrosine protein kinase Abl fa
mily","CAMK protein kinase CAMK1 family","Other protein kinase NAK family","Other protein kinase PEK family","TKL protein kinase STKR family","Tyrosine protein kinase Src family","STE protein kinase S
TE11 family","STE protein kinase STE20 family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase PDGFR family","Other protein kinase AUR family","CMGC protein kinase CDK family","AGC prot
ein kinase PKN family","AGC protein kinase PKC family","Tyrosine protein kinase FGFR family","Tyrosine protein kinase DDR family","Tyrosine protein kinase Tie family","Tyrosine protein kinase Trk fami
ly","CMGC protein kinase DYRK family","Tyrosine protein kinase Tec family","CAMK protein kinase MLCK family","Tyrosine protein kinase JakA family","TKL protein kinase LRRK family","AGC protein kinase 
NDR family","Other protein kinase CK2 family","CMGC protein kinase GSK family","TKL protein kinase LISK family","STE protein kinase STE7 family","Other protein kinase NKF1 family","AGC protein kinase 
RSK family","AGC protein kinase GRK family","Other protein kinase ULK family","CMGC protein kinase CDKL family","Other protein kinase NEK family","CAMK protein kinase PHk family","Atypical protein kin
ase RIO family","Tyrosine protein kinase Axl family","CMGC protein kinase SRPK family","CAMK protein kinase PKD family","Tyrosine protein kinase Ret family","TKL protein kinase RIPK family","Tyrosine 
protein kinase InsR family","CMGC protein kinase CLK family","Tyrosine protein kinase VEGFR family","CAMK protein kinase CAMK2 family","Tyrosine protein kinase Met family","CAMK protein kinase DCAMK1 
family","Other protein kinase PLK family","TKL protein kinase IRAK family","Other protein kinase TLK family","CAMK protein kinase DAPK family","AGC protein kinase MAST family","Tyrosine protein kinase
 Musk family","AGC protein kinase DMPK family","Other protein kinase CAMKK family","Other protein kinase IKK family","AGC protein kinase SGK family","CMGC protein kinase MAPK family","CAMK protein kin
ase TSSK family","CK1 protein kinase CK1 family","Other protein kinase WEE family","AGC protein kinase PDK1 subfamily","AGC protein kinase PKA family","CAMK protein kinase RAD53 family","CAMK protein 
kinase PIM family","TKL protein kinase MLK subfamily","CAMK protein kinase QIK subfamily","Other protein kinase GCN2 subfamily","TKL protein kinase STKR Type 1 subfamily","STE protein kinase KHS subfa
mily","CMGC protein kinase CDK7 subfamily","AGC protein kinase PKC delta subfamily","STE protein kinase MST subfamily","CMGC protein kinase HIPK subfamily","CAMK protein kinase AMPK subfamily","STE pr
otein kinase MSN subfamily","TKL protein kinase LIMK subfamily","CAMK protein kinase LKB subfamily","CAMK protein kinase MELK subfamily","AGC protein kinase MSK subfamily","AGC protein kinase GRK subf
amily","STE protein kinase FRAY subfamily","CAMK protein kinase NIM1 subfamily","CAMK protein kinase NuaK subfamily","CAMK protein kinase MARK subfamily","CMGC protein kinase Dyrk2 subfamily","Atypica
l protein kinase RIO3 subfamily","AGC protein kinase RSK subfamily","Tyrosine protein kinase SrcA","CMGC protein kinase PCTAIRE","CMGC protein kinase TAIRE subfamily","TKL protein kinase STKR Type 2 s
ubfamily","CAMK protein kinase BRSK subfamily","STE protein kinase YSK subfamily","TKL protein kinase TAK1 subfamily","Other protein kinase PLK2","Atypical protein kinase RIO2 subfamily","Atypical pro
tein kinase RIO1 subfamily","AGC protein kinase p70 subfamily","TKL protein kinase STKR1","STE protein kinase PAKA subfamily","CAMK protein kinase CHK1 subfamily","Other protein kinase PKR","STE prote
in kinase SLK subfamily","AGC protein kinase CRIK subfamily","Other protein kinase Meta subfamily","STE protein kinase PAKB subfamily","STE protein kinase MEKK2","TKL protein kinase LZK subfamily","CM
GC protein kinase JNK subfamily","AGC protein kinase ROCK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","CAMK: Calcium/calmodulin-dependent protein kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kina
ses","CMGC: Containing CDK",MAPK,GSK3,"CLK families","AGC: Containing PKA",PKG,"PKC families","Lipid modifying kinases",Atypical,"CK1: Casein kinase 1","TKL: Tyrosine kinase-like","TK: Tyrosine kinase
","CAMK-like (CAMKL) family","Other protein kinases","STE11 family","STE20 family","Cyclin-dependent kinase (CDK) family","Protein kinase N (PKN) family","Protein kinase C (PKC) family","Dual-specific
ity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Myosin Light Chain Kinase (MLCK) family","NDR family","Glycogen synthase kinase (GSK) family","STE7 family","RSK family","G protein-co
upled receptor kinases (GRKs)","Cyclin-dependent kinase-like (CDKL) family","Phosphorylase kinase (PHK) family","Type I PIP kinases (1-phosphatidylinositol-4-phosphate 5-kinase family)","RIO family","
SRPK family","Protein kinase D (PKD) family","CLK family","CAMK2 family","DCAMKL family","Death-associated kinase (DAPK) family","MAST family","Type II PIP kinases (1-phosphatidylinositol-5-phosphate 
4-kinase family)","DMPK family","SGK family","Mitogen-activated protein kinases (MAP kinases)","Testis specific kinase (TSSK) family","Casein kinase 1 (CK1) family","PDK1 family","Protein kinase A (PK
A) family","PIM family","Mixed Lineage Kinase (MLK) family","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","QIK subfamily","Numb-associated kinase (NAK) family","PEK family
","KHS subfamily","Aurora kinase (Aur) family","CDK7 subfamily","NAK family","Delta subfamily","MST subfamily","HIPK subfamily","AMPK subfamily","MSN subfamily","CDK4 subfamily","Leucine-rich repeat k
inase (LRRK) family","Casein kinase 2 (CK2) family","GSK subfamily","LIM domain kinase (LISK) family","LKB subfamily","NKF1 family","MELK subfamily","MSK subfamily","Opsin/rhodopsin kinases","Unc-51-l
ike kinase (ULK) family","FRAY subfamily","HUNK subfamily","NIM1 subfamily","NuaK subfamily","MARK subfamily","Dyrk2 subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","RIO3 subf
amily","PRP4 subfamily","RSK subfamily","TAIRE subfamily","Receptor interacting protein kinase (RIPK) family","Receptor serine/threonine kinase (RSTK) family","BRSK subfamily","YSK subfamily","Polo-li
ke kinase (PLK) family","Interleukin-1 receptor-associated kinase (IRAK) family","RIO2 subfamily","STE20 subfamily","RIO1 subfamily","Tousled-like kinase (TLK) family","p70 subfamily","PAKA subfamily"
,"CHK1 subfamily","SLK subfamily","Other DMPK family kinases","CAMKK family","PAKB subfamily","IKK family","JNK subfamily","Rho kinase","WEE family","GRK4 subfamily","MLK subfamily","Abl family","Type
 XIII RTKs: Ephrin receptor family","GCN2 subfamily","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Src family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type I
II RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type V RTKs: FGF (fibroblast growth factor) receptor family","Type XVI RTKs: DDR (collagen receptor) family","Type XII RTKs: TIE family of angiopoietin
 receptors","Type VII RTKs: Neurotrophin receptor/Trk family","Tec family","Janus kinase (JakA) family","LIMK subfamily","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XIV RTKs: 
RET","Type II RTKs: Insulin receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type II receptor serine/threonine kinases","Type X RTKs: HGF (hepatocyte growth 
factor) receptor family","TAK1 subfamily","Type I receptor serine/threonine kinases","LZK subfamily","Other PEK family kinases","Type IX RTKs: MuSK","Meta subfamily"}

> <pathway_reactome>
{Disease,"Developmental Biology","Vesicle-mediated transport","Cellular responses to external stimuli","Signal Transduction","Cell Cycle","Gene expression (Transcription)","Extracellular matrix organi
zation","Immune System",Autophagy,"Organelle biogenesis and maintenance",Metabolism,"Metabolism of RNA",Hemostasis,"Neuronal System","Programmed Cell Death","DNA Repair","Transport of small molecules"
,"Infectious disease","Nervous system development","Membrane Trafficking","Cellular responses to stress","Signaling by GPCR","Diseases of signal transduction by growth factor receptors and second mess
engers",Mitotic,"Signaling by Rho GTPases","RNA Polymerase II Transcription","Non-integrin membrane-ECM interactions","Signaling by Receptor Tyrosine Kinases","Signaling by Hippo","Adaptive Immune Sys
tem","Cytokine Signaling in Immune system","Signaling by Non-Receptor Tyrosine Kinases",Macroautophagy,"Cilium Assembly","Metabolism of carbohydrates","Metabolism of lipids","rRNA processing","Innate 
Immune System","Cell surface interactions at the vascular wall","Intracellular signaling by second messengers","Transmission across Chemical Synapses","Signaling by TGFB family members",Apoptosis,"MTO
R signalling","Signaling by Hedgehog","DNA Double-Strand Break Repair","ECM proteoglycans","Ion channel transport","Cell Cycle Checkpoints","Leishmania infection","Axon guidance","trans-Golgi Network 
Vesicle Budding","Response of EIF2AK4 (GCN2) to amino acid deficiency","GPCR downstream signalling","Signaling by PDGFR in disease","M Phase","HIV Infection","RHO GTPase Effectors","Signaling by FGFR 
in disease","Generic Transcription Pathway","Signaling by Insulin receptor","Signaling by KIT in disease","Signaling by NTRKs","TCR signaling","Cellular Senescence","Mitotic G1 phase and G1/S transiti
on","Interferon Signaling","Signaling by PTK6","SARS-CoV Infections","Clathrin-mediated endocytosis","Selective autophagy","Anchoring of the basal body to the plasma membrane","Regulation of mitotic c
ell cycle","Glycogen metabolism","Phospholipid metabolism","rRNA processing in the nucleus and cytosol","Toll-like Receptor Cascades","Sphingolipid metabolism","Signaling by FGFR","PIP3 activates AKT 
signaling","Signaling by VEGF","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by BMP","Signaling by MST1","Oncogenic MAPK signaling","Apoptotic execution phase","Mitotic 
G2-G2/M phases","mTORC1-mediated signalling","Hedgehog 'on' state","Homology Directed Repair","Influenza Infection","Neutrophil degranulation","Stimuli-sensing channels","DAG and IP3 signaling","G2/M 
Checkpoints","Caspase activation via extrinsic apoptotic signalling pathway","Signaling by Interleukins","Parasite infection","EPH-Ephrin signaling","Golgi Associated Vesicle Biogenesis","Leishmania p
arasite growth and survival","G alpha (q) signalling events","Drug resistance of PDGFR mutants","Mitotic Metaphase and Anaphase","HIV Life Cycle","RHO GTPases activate PKNs","G alpha (i) signalling ev
ents","Signaling by FGFR2 in disease","Transcriptional Regulation by VENTX","Insulin receptor signalling cascade","Drug resistance of KIT mutants","Signaling by NTRK3 (TRKC)","Transcriptional Regulati
on by TP53","Generation of second messenger molecules","Oxidative Stress Induced Senescence","G1 Phase","Antiviral mechanism by IFN-stimulated genes","PTK6 promotes HIF1A stabilization","Signaling by 
NTRK1 (TRKA)","SARS-CoV-1 Infection","Interferon alpha/beta signaling","Semaphorin interactions","Cargo recognition for clathrin-mediated endocytosis","L1CAM interactions",Mitophagy,"Signaling by FGFR
3 in disease","Mitotic Prophase","APC/C-mediated degradation of cell cycle proteins","Glycogen breakdown (glycogenolysis)","PI Metabolism","Major pathway of rRNA processing in the nucleolus and cytoso
l","Toll Like Receptor 5 (TLR5) Cascade","Host Interactions of HIV factors","Sphingolipid de novo biosynthesis","RET signaling","Signaling by FGFR4","Toll Like Receptor 4 (TLR4) Cascade","Signaling by
 FGFR1 in disease","Negative regulation of the PI3K/AKT network","VEGFA-VEGFR2 Pathway","VEGF ligand-receptor interactions","Activation of NMDA receptors and postsynaptic events","Signaling by RAS mut
ants","Apoptotic cleavage of cellular proteins","G2/M Transition","HDR through Homologous Recombination (HRR) or Single Strand Annealing (SSA)","RHO GTPases activate PAKs","NS1 Mediated Effects on Hos
t Pathways","Transcriptional regulation by RUNX1","Toll Like Receptor 2 (TLR2) Cascade","PTEN Regulation","RHO GTPases activate CIT","Signaling by ROBO receptors","CaM pathway","G2/M DNA damage checkp
oint","Caspase activation via Dependence Receptors in the absence of ligand","Interleukin-2 family signaling","Transcriptional regulation by the AP-2 (TFAP2) family of transcription factors","Leishman
ia phagocytosis","EPHB-mediated forward signaling","Anti-inflammatory response favouring Leishmania parasite infection","Gastrin-CREB signalling pathway via PKC and MAPK","Imatinib-resistant PDGFR mut
ants","Mitotic Anaphase","Late Phase of HIV Life Cycle","Visual phototransduction","FGFR2 mutant receptor activation","IRS-mediated signalling","Dasatinib-resistant KIT mutants","Activated NTRK3 signa
ls through PI3K","Regulation of TP53 Activity","Cyclin D associated events in G1","ISG15 antiviral mechanism","Signalling to ERKs","SARS-CoV-1 Genome Replication and Transcription","Regulation of IFNA
 signaling","Sema4D in semaphorin signaling","Recycling pathway of L1","Receptor Mediated Mitophagy","Signalling to ERK5","Signaling by FGFR3 point mutants in cancer","Nuclear Envelope Breakdown","Act
ivation of APC/C and APC/C:Cdc20 mediated degradation of mitotic proteins","Synthesis of PIPs at the plasma membrane","MyD88 cascade initiated on plasma membrane","The role of Nef in HIV-1 replication
 and disease pathogenesis","Activated PKN1 stimulates transcription of AR (androgen receptor) regulated genes KLK2 and KLK3","Downstream signaling of activated FGFR4","MyD88-independent TLR4 cascade",
"FGFR1 mutant receptor activation",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","VEGFR2 mediated cell proliferation","VEGF binds to VEGFR leading to receptor dimerization","Post NMDA receptor acti
vation events","Signaling downstream of RAS mutants","Centrosome maturation","Activation of TRKA receptors","Ephrin signaling","HDR through Homologous Recombination (HRR)","Inhibition of PKR","RUNX1 r
egulates transcription of genes involved in BCR signaling","Toll Like Receptor TLR6:TLR2 Cascade","Regulation of PTEN stability and activity","Activation of RAC1","SEMA3A-Plexin repulsion signaling by
 inhibiting Integrin adhesion","Calmodulin induced events","Chk1/Chk2(Cds1) mediated inactivation of Cyclin B:Cdk1 complex","Interleukin-15 signaling","TFAP2 (AP-2) family regulates transcription of g
rowth factors and their receptors","FCGR3A-mediated phagocytosis","FCGR3A-mediated IL10 synthesis","EGFR Transactivation by Gastrin","Separation of Sister Chromatids","Transcription of the HIV genome"
,"The phototransduction cascade","Activated point mutants of FGFR2","PI3K Cascade","Regulation of TP53 Activity through Phosphorylation","Prolonged ERK activation events","Replication of the SARS-CoV-
1 genome","Sema4D induced cell migration and growth-cone collapse","FGFR3 mutant receptor activation","Activation of NIMA Kinases NEK9",NEK6,NEK7,"APC/C:Cdc20 mediated degradation of mitotic proteins"
,"MAP kinase activation","Nef and signal transduction","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","FRS-mediated FGFR4 signaling","TRIF(TICAM1)-med
iated TLR4 signaling","Signaling by activated point mutants of FGFR1","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","Loss of proteins required for interphase micro
tubule organization from the centrosome","NGF-independant TRKA activation","CD163 mediating an anti-inflammatory response","Signalling to RAS","Homologous DNA Pairing and Strand Exchange","Regulation 
of TP53 Activity through Acetylation","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Activation of RAC1 downstream of NMDARs","Activation of AMPK downstream of NMDARs","Regulation of TP53 Ex
pression and Degradation","ADORA2B mediated anti-inflammatory cytokines production","HIV Transcription Elongation",Inactivation,"recovery and regulation of the phototransduction cascade","ARMS-mediate
d activation","Frs2-mediated activation","Signaling by activated point mutants of FGFR3","APC:Cdc20 mediated degradation of cell cycle proteins prior to satisfation of the cell cycle checkpoint","MAPK
 targets/ Nuclear events mediated by MAP kinases","Nef Mediated CD4 Down-regulation","IKK complex recruitment mediated by RIP1","RSK activation","Ras activation upon Ca2+ influx through NMDA receptor"
,"Loss of Nlp from mitotic centrosomes","TRAF6-mediated induction of TAK1 complex within TLR4 complex","activated TAK1 mediates p38 MAPK activation","p38MAPK events","Presynaptic phase of homologous D
NA pairing and strand exchange","PI5P Regulates TP53 Acetylation","Activation of IRF3/IRF7 mediated by TBK1/IKK epsilon","Regulation of TP53 Degradation","Tat-mediated elongation of the HIV-1 transcri
pt","APC-Cdc20 mediated degradation of Nek2A","CREB phosphorylation","Activation of the AP-1 family of transcription factors","Formation of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
{CSF1R,EGFR,FGFR1,FGFR2,FGFR3,FLT1,FLT3,FLT4,INSR,KDR,KIT,PDGFRA,PDGFRB}

> <broad_moa>
{"EGFR inhibitor","FGFR inhibitor","FLT3 inhibitor","PDGFR tyrosine kinase receptor inhibitor","VEGFR inhibitor"}

> <synonyms>
{Dovitinib,405169-16-6,405169166,CHIR-258,CHIR258,TKI-258,TKI258,"Dovitinib (TKI-258, CHIR-258)","Dovitinib (TKI258, CHIR258)","Chir 258","Dovitinib free base",CHEMBL522892,UNII-I35H55G906,UNIII35H55G
906,804551-71-1,804551711,CHEMBL4578973,"405169-16-6 (free base)","405169166 (free base)",MFCD10565680,I35H55G906,"TKI 258",1027263-12-2,1027263122,C21H2,T6289}

> <pdid>
PD011193

> <targets>
{c-Kit,FGFR1,FGFR3,FLT3,VEGFR3/FLT4}

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

> <pubchem_cids>
{135398510}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 38 41  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.0031    3.0008    0.0000 O   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3092    5.2494    0.0000 C   0  0
   -2.6108    5.9949    0.0000 C   0  0
   -3.9073    5.2404    0.0000 C   0  0
   -5.2112    5.9836    0.0000 N   0  0
   -6.5072    5.2269    0.0000 C   0  0
   -6.4994    3.7269    0.0000 O   0  0
   -7.8111    5.9701    0.0000 N   0  0
   -9.1072    5.2134    0.0000 C   0  0
  -10.4114    5.9543    0.0000 C   0  0
  -11.7053    5.1953    0.0000 C   0  0
  -11.6949    3.6953    0.0000 C   0  0
  -12.9910    2.9386    0.0000 C   0  0
  -14.2948    3.6819    0.0000 N   0  0
  -15.5913    2.9274    0.0000 C   0  0
  -16.8930    3.6729    0.0000 C   0  0
  -16.8982    5.1729    0.0000 N   0  0
  -18.1990    5.9215    0.0000 C   0  0
  -18.2020    7.4215    0.0000 C   0  0
  -15.6017    5.9274    0.0000 C   0  0
  -14.3001    5.1819    0.0000 C   0  0
  -10.3907    2.9543    0.0000 C   0  0
  -10.3803    1.4536    0.0000 C   0  0
  -11.6736    0.6938    0.0000 F   0  0
   -9.0759    0.7130    0.0000 F   0  0
  -10.3692   -0.0464    0.0000 F   0  0
   -9.0969    3.7133    0.0000 C   0  0
   -3.9021    3.7404    0.0000 C   0  0
   -2.6005    2.9949    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 23 26  1  0
 26 27  1  0
 27 20  1  0
 18 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 29 32  1  0
 28 33  2  0
 33 15  1  0
 10 34  1  0
 34 35  2  0
 35  7  1  0
  5 36  2  0
 36 37  1  0
 37 38  2  0
 38  3  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14015

> <plate>
PLATE 004

> <well>
H5

> <supplier_cmpd_name>
AST 487

> <ctcr_id>
11980

> <supplier_cmpd_id>
T4053

> <smiles>
CNc1cc(Oc2ccc(NC(=O)Nc3ccc(CN4CCN(CC)CC4)c(C(F)(F)F)c3)cc2)ncn1

> <pd_targets>
{RPS6KA6,STK25,CLK3,BMX,CSK,CSNK1G3,TNIK,TYK2,MAPK9,LIMK1,MAP2K3,MELK,RPS6KA2,MKNK1,ABL1,STK36,PRKCQ,MAPK15,PRKD2,RET,FES,HTR2A,PRKX,CDK4,NEK4,DAPK3,EPHA8,EPHB1,HCK,MAP4K4,LATS1,NEK5,CDK16,PTK2B,RIPK2
,ROS1,SIK1,SRMS,SYK,KIT,MAP2K5,FLT3,AXL,MAP4K5,MKNK2,CDK11A,MYLK2,CLK2,NEK9,PDGFRA,RPS6KA5,SLK,NTRK2,TEK,BRAF,EGFR,JAK1,FGR,LCK,DYRK2,MAP3K6,TAOK3,LATS2,STK38L,CSNK1G1,HIPK2,CDK14,MAP3K20,P2RY14,CSNK1
G2,NTRK3,GSK3A,TYRO3,MAPK14,MAPK11,MAPK12,SRC,TGFBR2,CDK18,CLK1,EPHA3,EPHA4,EIF2AK2,FGFR1,IRAK1,EPHA2,EPHA5,STK4,MAP3K2,GAK,FGFR2,MAPK8,MYO3B,PRKACB,PRKD3,TESK1,STK35,INSR,PRKAA1,DDR2,STK10,ROCK2,MAP3
K1,RIOK2,RIPK4,MAP2K7,LRRK2,ALK,CDK19,MAP4K1,STK3,EPHA6,MAPK10,STK33,FYN,LTK,MAP3K7,CSF1R,FLT1,FLT4,FRK,MAP4K3,RIPK1,FGFR3,ACVR2B,ERN1,PRKACA,CAMK4,CAMKK1,CAMK1,CDK2,CDK3,CSNK1D,MAP3K13,PAK3,ULK2,BLK,
CAMK1D,CAMKK2,CDK8,CIT,CLK4,MYO3A,CDKL2,CDK5,CDK7,NTRK1,KDR,FGFR4,RAF1,ANKK1,ULK1,CDKL5,JAK2,INSRR,CILK1,CSNK1E,NLK,EPHA1,TIE1,MINK1,MAPK13,CDK17,TTK,EPHA7,TNK1,YES1,CDK15,JAK3,TNNI3K,LYN,AURKC,DDR1,M
ERTK,MET,MUSK,MST1R,MATK,CDKL1,ROCK1,MAP3K12,MAP2K4,CDK11B,NEK6,CDK9,STK24,PLK3,MAP4K2,SGK3,TAOK1,PRKD1,EPHB2,FER,RPS6KA4,ITK,HIPK4,STK39,PDGFRB,ABL2,TAOK2,CDK13,HIPK3,MAK,CHEK2,CHUK,IKBKB,MAP3K19,MAP
3K11,DSTYK,HIPK1,ULK3,CDPK1,LIMK2,AURKB,NEK1,RPS6KB1,CDKL3,AURKA,BCR}

> <pathway_gtopdb>
{Enzyme,"Membrane receptor",Kinase,"Family A G protein-coupled receptor",Transferase,"Protein Kinase","Small molecule receptor (family A GPCR)","AGC protein kinase group","STE protein kinase group","C
MGC protein kinase group","TK protein kinase group","CK1 protein kinase group","TKL protein kinase group","CAMK protein kinase group","Other protein kinase group","Monoamine receptor","Nucleotide-like
 receptor (family A GPCR)","Atypical protein kinase group","AGC protein kinase RSK family","STE protein kinase STE20 family","CMGC protein kinase CLK family","Tyrosine protein kinase Tec family","Tyro
sine protein kinase Csk family","CK1 protein kinase CK1 family","Tyrosine protein kinase JakA family","CMGC protein kinase MAPK family","TKL protein kinase LISK family","STE protein kinase STE7 family
","CAMK protein kinase CAMK1 family","CAMK protein kinase MAPKAPK family","Tyrosine protein kinase Abl family","Other protein kinase ULK family","AGC protein kinase PKC family","CAMK protein kinase PK
D family","Tyrosine protein kinase Ret family","Tyrosine protein kinase Fer family","Serotonin receptor","AGC protein kinase PKA family","Other protein kinase NEK family","CAMK protein kinase DAPK fam
ily","Tyrosine protein kinase Eph family","Tyrosine protein kinase Src family","AGC protein kinase NDR family","CMGC protein kinase CDK family","Tyrosine protein kinase Fak family","TKL protein kinase
 RIPK family","Tyrosine protein kinase Sev family","Tyrosine protein kinase Syk family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Axl family","CAMK protein kinase MLCK family","T
yrosine protein kinase Trk family","Tyrosine protein kinase Tie family","TKL protein kinase RAF family","Tyrosine protein kinase EGFR family","CMGC protein kinase DYRK family","STE protein kinase STE1
1 family","TKL protein kinase MLK family","Purine receptor","CMGC protein kinase GSK family","TKL protein kinase STKR family","Other protein kinase PEK family","Tyrosine protein kinase FGFR family","T
KL protein kinase IRAK family","Other protein kinase NAK family","Other protein kinase NKF4 family","Tyrosine protein kinase InsR family","Tyrosine protein kinase DDR family","AGC protein kinase DMPK 
family","Atypical protein kinase RIO family","TKL protein kinase LRRK family","CAMK protein kinase unique family","Tyrosine protein kinase Alk family","Tyrosine protein kinase VEGFR family","Other pro
tein kinase CAMKK family","CMGC protein kinase CDKL family","CMGC protein kinase RCK family","Other protein kinase TTK family","Tyrosine protein kinase Ack family","Other protein kinase AUR family","T
yrosine protein kinase Met family","Tyrosine protein kinase Musk family","Other protein kinase PLK family","AGC protein kinase SGK family","CAMK protein kinase RAD53 family","Other protein kinase IKK 
family","Atypical protein kinase BCR family","AGC protein kinase RSK subfamily","STE protein kinase YSK subfamily","CK1 protein kinase CK1-g","STE protein kinase MSN subfamily","CMGC protein kinase JN
K subfamily","TKL protein kinase LIMK subfamily","CAMK protein kinase MELK subfamily","CAMK protein kinase MNK subfamily","AGC protein kinase PKC delta subfamily","CMGC protein kinase TAIRE subfamily"
,"CAMK protein kinase QIK subfamily","Tyrosine protein kinase Srm","STE protein kinase KHS subfamily","CMGC protein kinase PITSLRE subfamily","AGC protein kinase MSK subfamily","STE protein kinase SLK
 subfamily","CMGC protein kinase Dyrk2 subfamily","STE protein kinase ASK","STE protein kinase TAO subfamily","CMGC protein kinase HIPK subfamily","CMGC protein kinase PFTAIRE","TKL protein kinase MLK
 subfamily","CMGC protein kinase p38 subfamily","TKL protein kinase STKR Type 2 subfamily","CMGC protein kinase PCTAIRE","Other protein kinase PKR","STE protein kinase MST subfamily","STE protein kina
se MEKK2","STE protein kinase NinaC subfamily","TKL protein kinase TESK subfamily","CAMK protein kinase AMPK subfamily","AGC protein kinase ROCK subfamily","Atypical protein kinase RIO2 subfamily","TK
L protein kinase STKR Type 1 subfamily","CMGC protein kinase CDK8 subfamily","Tyrosine protein kinase SrcA","TKL protein kinase TAK1 subfamily","Other protein kinase Meta subfamily","CMGC protein kina
se CDC2 subfamily","TKL protein kinase LZK subfamily","STE protein kinase PAKA subfamily","AGC protein kinase CRIK subfamily","CMGC protein kinase CDK5 subfamily","CMGC protein kinase CDK7 subfamily",
"CMGC protein kinase MAK","CMGC protein kinase nmo subfamily","TKL protein kinase HH498 subfamily","CMGC protein kinase CDK9 subfamily","STE protein kinase FRAY subfamily","AGC protein kinase p70 subf
amily"}

> <pathway_chembl>
{Enzymes,Receptors,"Kinases (EC 2.7.x.x)","Catalytic receptors","G protein-coupled receptors","AGC: Containing PKA",PKG,"PKC families","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinas
es","CMGC: Containing CDK",MAPK,GSK3,"CLK families","Receptor kinases","CK1: Casein kinase 1","CAMK: Calcium/calmodulin-dependent protein kinases","5-Hydroxytryptamine receptors","P2Y receptors",Atypi
cal,"RSK family","STE20 family","CLK family","TK: Tyrosine kinase","Casein kinase 1 (CK1) family","Mitogen-activated protein kinases (MAP kinases)","TKL: Tyrosine kinase-like","STE7 family","CAMK-like
 (CAMKL) family","MAPK-Activated Protein Kinase (MAPKAPK) family","Other protein kinases","Protein kinase C (PKC) family","Protein kinase D (PKD) family","Protein kinase A (PKA) family","Cyclin-depend
ent kinase (CDK) family","Death-associated kinase (DAPK) family","NDR family","Myosin Light Chain Kinase (MLCK) family","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","
STE11 family","Glycogen synthase kinase (GSK) family","DMPK family","RIO family","CAMK-unique family","CAMK1 family","Cyclin-dependent kinase-like (CDKL) family","RCK family","SGK family","RSK subfami
ly","YSK subfamily","Non-receptor tyrosine kinases (nRTKs)","MSN subfamily","JNK subfamily","LIM domain kinase (LISK) family","MELK subfamily","MKN subfamily","Unc-51-like kinase (ULK) family","Delta 
subfamily","Erk7 subfamily","Receptor tyrosine kinases (RTKs)","CDK4 subfamily","NIMA (never in mitosis gene a)- related kinase (NEK) family","TAIRE subfamily","Receptor interacting protein kinase (RI
PK) family","QIK subfamily","KHS subfamily","PITSLRE subfamily","MSK subfamily","SLK subfamily","RAF family","Dyrk2 subfamily","TAO subfamily","HIPK subfamily","Mixed Lineage Kinase (MLK) family","GSK
 subfamily","p38 subfamily","Receptor serine/threonine kinase (RSTK) family","PEK family","Interleukin-1 receptor-associated kinase (IRAK) family","MST subfamily","Numb-associated kinase (NAK) family"
,"NinaC subfamily","NKF4 family","AMPK subfamily","Rho kinase","RIO2 subfamily","Leucine-rich repeat kinase (LRRK) family","CDK8 subfamily","IRE family","CAMKK family","CDK1 subfamily","PAKA subfamily
","Other DMPK family kinases","CDK5 subfamily","CDK7 subfamily","nmo subfamily","TTK family","Aurora kinase (Aur) family","CDK9 subfamily","Polo-like kinase (PLK) family","FRAY subfamily","CRK7 subfam
ily","CHK1 subfamily","IKK family","STE20 subfamily","Other-unique family","p70 subfamily","Tec family","Csk family","Janus kinase (JakA) family","LIMK subfamily","Abl family","Type XIV RTKs: RET","Fe
r family","Type XIII RTKs: Ephrin receptor family","Src family","Fak family","Type XVII RTKs: ROS receptors","Syk family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XI RTKs: TAM (TYR
O3-","AXL- and MER-TK) receptor family","Type VII RTKs: Neurotrophin receptor/Trk family","Type XII RTKs: TIE family of angiopoietin receptors","Type I RTKs: ErbB (epidermal growth factor) receptor fa
mily","MLK subfamily","Type II receptor serine/threonine kinases","Other PEK family kinases","Type V RTKs: FGF (fibroblast growth factor) receptor family","TESK subfamily","Type II RTKs: Insulin recep
tor family","Type XVI RTKs: DDR (collagen receptor) family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","TAK1 subfamily","Type IV RTKs: VEGF (vascular endothelial growth factor) r
eceptor family","Meta subfamily","LZK subfamily","Ack family","HH498 subfamily","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type IX RTKs: MuSK"}

> <pathway_reactome>
{"Neuronal System",Metabolism,Disease,"Cellular responses to external stimuli","Immune System","Developmental Biology","Signal Transduction","Cell Cycle","Programmed Cell Death","Circadian Clock","Gen
e expression (Transcription)","Vesicle-mediated transport","Cell-Cell communication","Extracellular matrix organization","Metabolism of RNA","Metabolism of proteins",Autophagy,Hemostasis,"Transport of
 small molecules","Transmission across Chemical Synapses","Metabolism of lipids","Diseases of signal transduction by growth factor receptors and second messengers","Cellular responses to stress","Cyto
kine Signaling in Immune system","Innate Immune System","Nervous system development","Signaling by Receptor Tyrosine Kinases","Infectious disease","Signaling by GPCR",Mitotic,Apoptosis,"Signaling by H
ippo","Signaling by Non-Receptor Tyrosine Kinases","MAPK family signaling cascades","RNA Polymerase II Transcription","Membrane Trafficking","Intracellular signaling by second messengers","Cell juncti
on organization","Non-integrin membrane-ECM interactions","rRNA processing","Signaling by NODAL","Unfolded Protein Response (UPR)","Disorders of Developmental Biology","Signaling by Rho GTPases",Macro
autophagy,"Signaling by WNT","Cell surface interactions at the vascular wall","ECM proteoglycans","Ion channel transport","Adaptive Immune System","Signaling by Hedgehog","MTOR signalling","Neurotrans
mitter receptors and postsynaptic signal transmission","Phospholipid metabolism","Oncogenic MAPK signaling","Cellular Senescence","Interferon Signaling","Toll-like Receptor Cascades","Axon guidance","
Signaling by FGFR","Leishmania infection","GPCR downstream signalling","Sphingolipid metabolism","GPCR ligand binding","Mitotic G1 phase and G1/S transition","Caspase activation via extrinsic apoptoti
c signalling pathway","HIV Infection","Signaling by Interleukins","Signaling by PTK6","Signaling by KIT in disease","Signaling by NTRKs","Signaling by Insulin receptor","Signaling by VEGF","Mitotic G2
-G2/M phases","M Phase","Signaling by PDGFR in disease","MAPK1/MAPK3 signaling","Generic Transcription Pathway","SARS-CoV Infections","Signaling by TGF-beta Receptor Complex in Cancer","Influenza Infe
ction","Signaling by FGFR in disease","trans-Golgi Network Vesicle Budding","DAG and IP3 signaling","Cell-extracellular matrix interactions","PIP3 activates AKT signaling","Neutrophil degranulation","
rRNA processing in the nucleus and cytosol","Regulation of lipid metabolism by PPARalpha","Regulation of signaling by NODAL","IRE1alpha activates chaperones","Disorders of Nervous System Development",
"Signaling by NOTCH1 in Cancer","RHO GTPase Effectors","Selective autophagy","Beta-catenin independent WNT signaling","Signaling by MST1","Signaling by ERBB2","Apoptotic execution phase","Stimuli-sens
ing channels","Signaling by SCF-KIT","TCR signaling","Hedgehog 'on' state","mTORC1-mediated signalling","Activation of NMDA receptors and postsynaptic events","PI Metabolism","Signaling by RAS mutants
","Oxidative Stress Induced Senescence","Interferon alpha/beta signaling","Toll Like Receptor 5 (TLR5) Cascade","Semaphorin interactions","Signaling by FGFR4","Parasite infection","G alpha (i) signall
ing events","Sphingolipid de novo biosynthesis","RET signaling","Class A/1 (Rhodopsin-like receptors)","Leishmania parasite growth and survival","G1 Phase","Caspase activation via Dependence Receptors
 in the absence of ligand","EPH-Ephrin signaling","Host Interactions of HIV factors","Interleukin-2 family signaling","PTK6 Down-Regulation","Drug resistance of KIT mutants","Signaling by NTRK1 (TRKA)
","Insulin receptor signalling cascade","VEGFA-VEGFR2 Pathway","G2/M Transition","Mitotic Prophase","Drug resistance of PDGFR mutants","RAF/MAP kinase cascade","G alpha (q) signalling events","Antivir
al mechanism by IFN-stimulated genes","Transcriptional Regulation by TP53","Signaling by NTRK3 (TRKC)","SARS-CoV-1 Infection","Loss of Function of SMAD2/3 in Cancer","NS1 Mediated Effects on Host Path
ways","Signaling by FGFR1 in disease","Golgi Associated Vesicle Biogenesis","Signaling by FGFR2 in disease","CaM pathway","Regulation of cytoskeletal remodeling and cell spreading by IPP complex compo
nents","Negative regulation of the PI3K/AKT network","Toll Like Receptor 2 (TLR2) Cascade","Major pathway of rRNA processing in the nucleolus and cytosol","PTK6 promotes HIF1A stabilization","PPARA ac
tivates gene expression","Toll Like Receptor 4 (TLR4) Cascade","Transcriptional Regulation by VENTX","VEGF ligand-receptor interactions","PTEN Regulation","Signaling by FGFR3 in disease","Pervasive de
velopmental disorders","Transcriptional regulation by RUNX1","Signaling by NOTCH1 HD+PEST Domain Mutants in Cancer","RHO GTPases activate CIT","HIV Life Cycle",Mitophagy,"Ca2+ pathway","Downregulation
 of ERBB2 signaling","Apoptotic cleavage of cellular proteins","Mitotic Metaphase and Anaphase","L1CAM interactions","Generation of second messenger molecules","Signaling by ROBO receptors","Post NMDA
 receptor activation events","Synthesis of PIPs at the plasma membrane","Signaling downstream of RAS mutants","Regulation of IFNA signaling","MyD88 cascade initiated on plasma membrane","Sema4D in sem
aphorin signaling","Negative regulation of FGFR4 signaling","Leishmania phagocytosis","Visual phototransduction","CRMPs in Sema3A signaling","Amine ligand-binding receptors","Anti-inflammatory respons
e favouring Leishmania parasite infection","Cyclin D associated events in G1","EPHA-mediated growth cone collapse","EPHB-mediated forward signaling","The role of Nef in HIV-1 replication and disease p
athogenesis","Interleukin-2 signaling","Dasatinib-resistant KIT mutants","Signalling to ERK5","IRS-mediated signalling","Centrosome maturation","Nuclear Envelope Breakdown","Imatinib-resistant PDGFR m
utants","Activation of TRKA receptors","Signalling to ERKs","Gastrin-CREB signalling pathway via PKC and MAPK","ISG15 antiviral mechanism","Regulation of TP53 Activity","Nucleotide-like (purinergic) r
eceptors","Activated NTRK3 signals through PI3K","SARS-CoV-1 Genome Replication and Transcription","SMAD2/3 Phosphorylation Motif Mutants in Cancer","Inhibition of PKR","FGFR1 mutant receptor activati
on","FGFR2 mutant receptor activation","Calmodulin induced events",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Toll Like Receptor TLR6:TLR2 Cascade","MyD88-independent TLR4 cascade","VEGF binds 
to VEGFR leading to receptor dimerization","Regulation of PTEN stability and activity","Signaling by FGFR3 point mutants in cancer","Loss of function of MECP2 in Rett syndrome","Ephrin signaling","RUN
X1 regulates transcription of genes involved in BCR signaling","Constitutive Signaling by NOTCH1 HD+PEST Domain Mutants","Late Phase of HIV Life Cycle","VEGFR2 mediated cell proliferation","Downstream
 signaling of activated FGFR4","Negative regulation of MAPK pathway","Receptor Mediated Mitophagy","Interleukin-15 signaling","Mitotic Anaphase","Recycling pathway of L1","Role of ABL in ROBO-SLIT sig
naling","TP53 Regulates Transcription of DNA Repair Genes","CREB1 phosphorylation through NMDA receptor-mediated activation of RAS signaling","MAP kinase activation","Sema4D induced cell migration and
 growth-cone collapse","Spry regulation of FGF signaling","FCGR3A-mediated phagocytosis","The phototransduction cascade","Serotonin receptors","ADORA2B mediated anti-inflammatory cytokines production"
,"Nef and signal transduction","FCGR3A-mediated IL10 synthesis","PI3K Cascade","Recruitment of mitotic centrosome proteins and complexes","Activation of NIMA Kinases NEK9",NEK6,NEK7,"NGF-independant T
RKA activation","Prolonged ERK activation events","EGFR Transactivation by Gastrin","Nef-mediates down modulation of cell surface receptors by recruiting them to clathrin adapters","Regulation of TP53
 Activity through Phosphorylation","P2Y receptors","Replication of the SARS-CoV-1 genome","Signalling to RAS","Signaling by activated point mutants of FGFR1","Activated point mutants of FGFR2","PKA-me
diated phosphorylation of CREB","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","TRIF(TICAM1)-mediated TLR4 signaling","FGFR3 mutant receptor activation","Loss of proteins required for interph
ase microtubule organization from the centrosome","Loss of phosphorylation of MECP2 at T308","Activation of RAC1 downstream of NMDARs","Regulation of TP53 Expression and Degradation","Activation of AM
PK downstream of NMDARs","Transcription of the HIV genome","FRS-mediated FGFR4 signaling","Negative feedback regulation of MAPK pathway","Sema4D mediated inhibition of cell attachment and migration","
Separation of Sister Chromatids","RSK activation","MAPK targets/ Nuclear events mediated by MAP kinases","activated TAK1 mediates p38 MAPK activation",Inactivation,"recovery and regulation of the phot
otransduction cascade","ARMS-mediated activation","Nef Mediated CD4 Down-regulation","p38MAPK events","PKA activation","JNK (c-Jun kinases) phosphorylation and  activation mediated by activated human 
TAK1","TRAF6-mediated induction of TAK1 complex within TLR4 complex","IKK complex recruitment mediated by RIP1","Signaling by activated point mutants of FGFR3","Loss of Nlp from mitotic centrosomes","
Regulation of TP53 Degradation","HIV Transcription Elongation","Activation of the AP-1 family of transcription factors","CREB phosphorylation","Tat-mediated elongation of the HIV-1 transcript","Format
ion of HIV-1 elongation complex containing HIV-1 Tat"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"AST 487",630124-46-8,630124468,AST-487,AST487,NVP-AST487,NVPAST487,UNII-W34UO2M4T6,UNIIW34UO2M4T6,W34UO2M4T6,C26H30F3N7O2,"NVP-AST 487","NVPAST 487",NVP-AST-487,Kinome_3855,Kinome3855,Kinome-3855,"K
inome 3855",cc-640,cc640,AST-48,AST48,CHEMBL574738,GTPL5661,SCHEMBL1684259,BDBM31085,AST-487/AST487,AST487/AST487,DTXSID70212239,SYN1210,cid_11409972,cid11409972,cid-11409972,"cid 11409972",BCP2158,T4
053}

> <pdid>
PD012708

> <targets>
{c-Kit,RET,FLT4,KDR,Bcr-Abl,FLT3,VEGFR}

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

> <pubchem_cids>
{11409972}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 46 51  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5018    3.7420    0.0000 C   0  0
   -6.5068    5.2419    0.0000 O   0  0
   -7.7993    2.9876    0.0000 N   0  0
   -9.1017    3.7333    0.0000 C   0  0
  -10.3996    2.9813    0.0000 C   0  0
  -11.6999    3.7292    0.0000 C   0  0
  -13.0000    2.9793    0.0000 O   0  0
  -14.2999    3.7295    0.0000 C   0  0
  -15.6004    2.9819    0.0000 C   0  0
  -16.8980    3.7343    0.0000 C   0  0
  -16.8953    5.2343    0.0000 C   0  0
  -18.1952    5.9845    0.0000 N   0  0
  -19.4952    5.2346    0.0000 C   0  0
  -19.4954    3.7346    0.0000 O   0  0
  -20.7952    5.9847    0.0000 C   0  0
  -21.5452    7.1505    0.0000 C   0  0
  -20.0452    7.1506    0.0000 C   0  0
  -22.0953    5.2343    0.0000 C   0  0
  -22.0950    3.7343    0.0000 O   0  0
  -23.3955    5.9840    0.0000 N   0  0
  -24.6953    5.2337    0.0000 C   0  0
  -25.9959    5.9812    0.0000 C   0  0
  -27.2935    5.2287    0.0000 C   0  0
  -27.2906    3.7287    0.0000 C   0  0
  -28.5882    2.9761    0.0000 F   0  0
  -25.9901    2.9812    0.0000 C   0  0
  -24.6925    3.7337    0.0000 C   0  0
  -15.5948    5.9819    0.0000 C   0  0
  -15.5921    7.4819    0.0000 F   0  0
  -14.2972    5.2295    0.0000 C   0  0
  -11.7023    5.2292    0.0000 C   0  0
  -10.4045    5.9813    0.0000 C   0  0
   -9.1042    5.2334    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 28  1  0
 28 31  1  0
 31 32  2  0
 31 33  1  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 37 39  1  0
 39 40  2  0
 40 34  1  0
 24 41  1  0
 41 42  1  0
 41 43  2  0
 43 21  1  0
 19 44  2  0
 44 45  1  0
 45 46  2  0
 46 17  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14016

> <plate>
PLATE 004

> <well>
H6

> <supplier_cmpd_name>
Golvatinib

> <ctcr_id>
2506

> <supplier_cmpd_id>
T6517

> <smiles>
CN1CCN(CC1)C2CCN(CC2)C(=O)Nc3cc(Oc4ccc(NC(=O)C5(CC5)C(=O)Nc6ccc(F)cc6)c(F)c4)ccn3

> <pd_targets>
{KDR,MET}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type X RTKs: HGF
 (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Developmental Biology","Signaling by Receptor Tyrosine Kinases","Nervous system development","Signaling by VEGF","Axon guidance","VEGFA-VEGFR2 Pathway","Semaphorin interactions
","VEGFR2 mediated cell proliferation","Sema4D in semaphorin signaling","Sema4D mediated inhibition of cell attachment and migration"}

> <broad_targets>
{KDR,MET}

> <broad_moa>
{"VEGFR inhibitor"}

> <synonyms>
{Golvatinib,928037-13-2,928037132,"Golvatinib (E7050)",E-7050,E7050,UNII-516Z3YP58E,UNII516Z3YP58E,516Z3YP58E,"Golvatinib (USAN)","Golvatinib (USAN:INN)",E7050;Golvatinib,GolvatinibE7050),"E 7050",cc-
653,cc653,GTPL7956,SCHEMBL1727298,CHEMBL3039525,DTXSID40239155,EX-,EX,T6517,S2859}

> <pdid>
PD010544

> <targets>
{c-Met,VEGFR}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{16118392}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 45 48  0  0  0  0            999 V2000
    7.7999   -3.0121    0.0000 C   0  0
    9.0950   -3.7689    0.0000 N   0  0
    9.0867   -5.2697    0.0000 C   0  0
   10.3832   -6.0242    0.0000 N   0  0
   10.3780   -7.5242    0.0000 C   0  0
    9.0764   -8.2697    0.0000 C   0  0
    7.7800   -7.5152    0.0000 C   0  0
    7.7850   -6.0152    0.0000 C   0  0
    6.4863   -5.2630    0.0000 C   0  0
    5.1851   -6.0107    0.0000 N   0  0
    3.8864   -5.2585    0.0000 C   0  0
    3.8915   -3.7585    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.7248    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
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    1.2935   -3.7495    0.0000 N   0  0
    1.2883   -5.2495    0.0000 C   0  0
    2.5847   -6.0040    0.0000 C   0  0
    2.5795   -7.5048    0.0000 C   0  0
    1.2784   -8.2511    0.0000 F   0  0
    3.8762   -8.2589    0.0000 F   0  0
    2.5751   -9.0048    0.0000 F   0  0
   10.3984   -3.0249    0.0000 S   0  0
   11.7015   -2.2818    0.0000 C   0  0
   10.4067   -1.5249    0.0000 O   0  0
   11.6935   -3.7816    0.0000 O   0  0
   18.0995   -6.0026    0.0000 O   0  0
   18.0999   -4.5026    0.0000 S   0  0
   19.3995   -3.7534    0.0000 O   0  0
   19.3986   -5.2532    0.0000 O   0  0
   16.8002   -3.7522    0.0000 C   0  0
   16.8002   -2.2522    0.0000 C   0  0
   15.5011   -1.5022    0.0000 C   0  0
   14.2021   -2.2522    0.0000 C   0  0
   14.2021   -3.7522    0.0000 C   0  0
   15.5012   -4.5022    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 18  1  0
 23 24  2  0
 24 15  1  0
 13 25  2  0
 25 26  1  0
 26 27  2  0
 27 11  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 28 31  1  0
  2 32  1  0
 32 33  1  0
 32 34  2  0
 32 35  2  0
 36 37  1  0
 37 38  2  0
 37 39  2  0
 37 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  2  0
 43 44  1  0
 44 45  2  0
 45 40  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14017

> <plate>
PLATE 004

> <well>
H7

> <supplier_cmpd_name>
PF-562271 besylate

> <ctcr_id>
2470

> <supplier_cmpd_id>
T6177

> <smiles>
CN(c1ncccc1CNc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)[S](C)(=O)=O.O[S](=O)(=O)c5ccccc5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{939791-38-5,939791385,PF-00562271,PF00562271,"PF-562271 besylate","PF562271 besylate","PF-562271 (besylate)","PF562271 (besylate)","939791-38-5 (besylate)","939791385 (besylate)","PF 562271","PF-5622
71 benzenesulfonate","PF562271 benzenesulfonate",CHEMBL2430359,"PF-562271 (benzesulfonate salt)","PF562271 (benzesulfonate salt)",cc-23,cc23,UNII-FK2M84H8UI,UNIIFK2M84H8UI,FK2M84H8UI,"PF-562271 benzes
ulfonate","PF562271 benzesulfonate",SCHEMBL,T6177,S2672}

> <pdid>

> <targets>
{FAK,Pyk2}

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

> <pubchem_cids>
{16118986}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 33 35  0  0  1  0            999 V2000
    2.5944   -6.0070    0.0000 C   0  0
    3.8934   -5.2570    0.0000 C   0  0  2  0  0  0
    5.1924   -6.0070    0.0000 C   0  0
    6.4915   -5.2571    0.0000 N   0  0
    6.4915   -3.7571    0.0000 C   0  0
    5.1925   -3.0070    0.0000 C   0  0
    3.8933   -3.7570    0.0000 N   0  0
    2.5951   -3.0039    0.0000 C   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8971   -0.7500    0.0000 N   0  0
   -3.8971    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 N   0  0
   -2.6012   -3.0008    0.0000 N   0  0
   -3.9020   -3.7494    0.0000 C   0  0
   -3.9072   -5.2494    0.0000 C   0  0
   -5.2089   -5.9949    0.0000 C   0  0
   -6.5053   -5.2405    0.0000 C   0  0
   -6.5001   -3.7405    0.0000 C   0  0
   -5.1985   -2.9950    0.0000 C   0  0
   -5.2141   -7.4949    0.0000 Cl  0  0
   -2.6108   -6.0040    0.0000 F   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
    7.7905   -6.0071    0.0000 C   0  0
   10.2911   -2.2459    0.0000 Cl  0  0
  2  1  1  1
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 11  1  0
 15 17  1  0
 17 18  2  3
 18 19  1  0
 19 20  2  3
 20 14  1  0
 17 21  1  0
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  3
 25 26  1  0
 26 27  2  3
 27 22  1  0
 24 28  1  0
 23 29  1  0
 12 30  1  0
 30 31  1  0
  4 32  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14018

> <plate>
PLATE 004

> <well>
H8

> <supplier_cmpd_name>
AZD3759 hydrochloride

> <ctcr_id>
11557

> <supplier_cmpd_id>
T4249

> <smiles>
C[C@@H]1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C.Cl

> <pd_targets>
{SRC,EGFR,ERBB2,ERBB3,ERBB4,KCNH2,KDR,DRD2}

> <pathway_gtopdb>
{Enzyme,"Ion channel","Membrane receptor",Kinase,"Voltage-gated ion channel","Family A G protein-coupled receptor","Protein Kinase","Potassium channels","Small molecule receptor (family A GPCR)","TK p
rotein kinase group","Voltage-gated potassium channel","Monoamine receptor","Tyrosine protein kinase Src family","Tyrosine protein kinase EGFR family","Tyrosine protein kinase VEGFR family","Dopamine 
receptor"}

> <pathway_chembl>
{Receptors,"Ion channels","Catalytic receptors","Voltage-gated ion channels","G protein-coupled receptors","Receptor kinases","Potassium channels","Dopamine receptors","TK: Tyrosine kinase","Voltage-g
ated potassium channels","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Src family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type I RTKs:
 ErbB (epidermal growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Muscle contraction","Signaling by Receptor Tyrosine Kinases","Cardiac conduction","Signaling by GPCR","Signaling by NTRKs","Phase 3 - rapid repolarisation","Signaling by VEGF",
"GPCR ligand binding","GPCR downstream signalling","Signaling by NTRK1 (TRKA)","VEGFA-VEGFR2 Pathway","Class A/1 (Rhodopsin-like receptors)","G alpha (q) signalling events","Signalling to ERKs","VEGFR
2 mediated cell proliferation","Amine ligand-binding receptors","Gastrin-CREB signalling pathway via PKC and MAPK","Signalling to RAS","Dopamine receptors","EGFR Transactivation by Gastrin","p38MAPK e
vents"}

> <broad_targets>
{EGFR}

> <broad_moa>
{"EGFR inhibitor"}

> <synonyms>
{"ZD3759 HYDROCHLORID",UNII-05Z3WK3SO6,UNII05Z3WK3SO6,05Z3WK3SO6,1626387-81-2,1626387812,"AZD3759 hydrochloride","AZD-3759 hydrochloride","Zorifertinib HCl",SCHEMBL16009548}

> <pdid>
PD012284

> <targets>
{EGFR,"EGFR (exon 19De)","EGFR (L858R)","EGFR (wt)"}

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

> <pubchem_cids>
{78322366}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 37 40  0  0  0  0            999 V2000
   11.6880    3.7674    0.0000 C   0  0
   10.3905    3.0147    0.0000 O   0  0
   10.3927    1.5139    0.0000 C   0  0
    9.0945    0.7607    0.0000 C   0  0
    9.0967   -0.7401    0.0000 N   0  0
    7.7985   -1.4932    0.0000 C   0  0
    6.4994   -0.7432    0.0000 C   0  0
    5.2003   -1.4932    0.0000 C   0  0
    5.2004   -2.9933    0.0000 N   0  0
    6.4995   -3.7432    0.0000 C   0  0
    7.7985   -2.9932    0.0000 C   0  0
    9.0983   -3.7436    0.0000 C   0  0
   10.3973   -4.4936    0.0000 N   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 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 N   0  0
   -1.2990   -3.7500    0.0000 C   0  0
   -1.2959   -5.2508    0.0000 C   0  0
    0.0042   -5.9990    0.0000 O   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -3.8994   -3.7478    0.0000 C   0  0
   -5.1981   -2.9955    0.0000 N   0  0
   -5.1929   -1.4954    0.0000 C   0  0
   -6.4894   -0.7410    0.0000 C   0  0
   -7.7910   -1.4865    0.0000 N   0  0
   -7.7962   -2.9865    0.0000 C   0  0
   -6.4997   -3.7409    0.0000 C   0  0
   -6.5050   -5.2409    0.0000 O   0  0
   -9.0874   -0.7320    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
 11 12  1  0
 12 13  3  0
  8 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 24 27  1  0
 27 28  2  0
 28 21  1  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 30  1  0
 35 36  2  0
 33 37  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14019

> <plate>
PLATE 004

> <well>
H9

> <supplier_cmpd_name>
Roblitinib

> <ctcr_id>
12560

> <supplier_cmpd_id>
T4235

> <smiles>
COCCNc1cc(ncc1C#N)NC(=O)N1CCCc2c1nc(C=O)c(c2)CN1CCN(CC1=O)C

> <pd_targets>
{FGFR4}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type V RTKs: FGF (fibroblast growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by FGFR","Signaling by FGFR4","Downstream signaling of activated FGFR4","FRS-mediated FGFR4 signaling"}

> <broad_targets>
{}

> <broad_moa>
{"FGFR inhibitor"}

> <synonyms>
{FGF401,Roblitinib,1708971-55-4,1708971554,FGF-401,UNII-M64JF6WMSA,UNIIM64JF6WMSA,M64JF6WMSA,NVP-FGF401,NVPFGF401,"Roblitinib (INN)","Roblitinib; FGF-401","Roblitinib; FGF401",NVP-FGF-401,GTPL9768,CHE
MBL3908979,"FGF 401 (WHO-DD)","FGF 401 (WHODD)",SCHEMBL16668840,"FGF 401",BDBM209325,AMY39077,BCP25143,EX-A1341,EXA1341,Example,T4235}

> <pdid>
PD076559

> <targets>
{FGFR4,FGFR}

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

> <pubchem_cids>
{118036971}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    5.1065    0.0000    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 N   0  0
    0.0000    1.5000    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 O   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -3.8915   -3.7585    0.0000 N   0  0
   -3.8863   -5.2585    0.0000 C   0  0
   -5.1819   -6.0161    0.0000 N   0  0
   -5.1746   -7.5169    0.0000 C   0  0
   -6.4684   -8.2760    0.0000 C   0  0
   -6.4580   -9.7759    0.0000 C   0  0
   -7.7510  -10.5380    0.0000 C   0  0
   -7.7385  -12.0387    0.0000 S   0  0
   -6.4330  -12.7775    0.0000 O   0  0
   -6.4458  -11.2777    0.0000 O   0  0
   -9.0314  -12.8008    0.0000 N   0  0
   -9.0189  -14.3016    0.0000 C   0  0
  -10.3119  -15.0636    0.0000 C   0  0
  -10.2993  -16.5644    0.0000 N   0  0
  -11.5916  -17.3260    0.0000 C   0  0
   -8.9938  -17.3031    0.0000 C   0  0
   -5.1538  -10.5169    0.0000 C   0  0
   -3.8600   -9.7579    0.0000 C   0  0
   -3.8704   -8.2580    0.0000 C   0  0
   -2.5847   -6.0040    0.0000 N   0  0
   -1.2883   -5.2495    0.0000 C   0  0
   -1.2935   -3.7495    0.0000 C   0  0
    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  2  1  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 19 21  2  0
 19 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 17 28  2  0
 28 29  1  0
 29 30  2  0
 30 15  1  0
 13 31  2  0
 31 32  1  0
 32 33  2  0
 33 11  1  0
  9 34  2  0
 34  4  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14020

> <plate>
PLATE 004

> <well>
H10

> <supplier_cmpd_name>
Sulfatinib

> <ctcr_id>
11558

> <supplier_cmpd_id>
T4075

> <smiles>
Cc1cc2c([nH]1)ccc(Oc1nc(Nc3cc(CS(=O)(=O)NCCN(C)C)ccc3)ncc1)c2

> <pd_targets>
{FGFR1,KDR,FLT1,FLT4}

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

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

> <pathway_reactome>
{Disease,"Signal Transduction","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Signaling by FGFR in disease","Signaling by 
VEGF","Signaling by FGFR1 in disease","VEGFA-VEGFR2 Pathway","FGFR1 mutant receptor activation","VEGFR2 mediated cell proliferation","Signaling by activated point mutants of FGFR1"}

> <broad_targets>
{}

> <broad_moa>
{"tyrosine kinase inhibitor"}

> <synonyms>
{Sulfatinib,1308672-74-3,1308672743,surufatinib,HMPL012,HMPL-012,KDR-IN-1,KDRIN1,UNII-B2K5L1L8S9,UNIIB2K5L1L8S9,B2K5L1L8S9,1816307-67-1,1816307671,"Surufatinib (INN)","Surufatinib (USAN)","Sulfatinib 
(WHO-DD)","Sulfatinib (WHODD)","Sulfatinib; HMPL-012","Sulfatinib; HMPL012",GTPL9769,SCHEMBL1822601,CHEMBL4297190,BCP14757,EX-A2524,EXA2524,T4075}

> <pdid>
PD064933

> <targets>
{FGFR1,hERG,KDR}

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

> <pubchem_cids>
{52920501}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 23 25  0  0  0  0            999 V2000
   -4.0796  -11.3976    0.0000 C   0  0
   -2.6130  -11.0830    0.0000 C   0  0
   -2.1509   -9.6551    0.0000 O   0  0
   -0.6835   -9.3403    0.0000 C   0  0
    0.3219  -10.4535    0.0000 O   0  0
   -0.2222   -7.9149    0.0000 C   0  0
    1.2028   -7.4466    0.0000 C   0  0
    2.4192   -8.3243    0.0000 C   0  0
    1.1979   -5.9466    0.0000 N   0  0
   -0.2234   -5.5086    0.0000 C   0  0
   -0.6890   -4.0818    0.0000 C   0  0
    0.3114   -2.9665    0.0000 C   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.5532   -4.4223    0.0000 O   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -1.1079   -6.7042    0.0000 C   0  0
   -2.6079   -6.7003    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  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
 10 22  2  0
 22  6  1  0
 22 23  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14021

> <plate>
PLATE 004

> <well>
H11

> <supplier_cmpd_name>
VEGFR2 Kinase Inhibitor I

> <ctcr_id>
5131

> <supplier_cmpd_id>
T4026

> <smiles>
CCOC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccccc23)c1C

> <pd_targets>
{ABL1,FGFR1,ALK,KDR,FLT1,FLT3,RET,PDGFRB}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","Tyrosine protein kinase Abl family","Tyrosine protein kinase FGFR family","TKL protein kinase STKR family","Tyrosi
ne protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Ret family","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Non-receptor tyrosine kinases (nRTKs)","Receptor tyrosine kinases (RTKs)","Abl family","Type V RTKs: FGF (fibroblast growth f
actor) receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3
 receptor family","Type XIV RTKs: RET"}

> <pathway_reactome>
{Disease,"Signal Transduction","Developmental Biology","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases",
"Nervous system development","Intracellular signaling by second messengers","Leishmania infection","Signaling by FGFR in disease","Signaling by VEGF","Signaling by Insulin receptor","Axon guidance","P
IP3 activates AKT signaling","Parasite infection","Signaling by FGFR1 in disease","VEGFA-VEGFR2 Pathway","VEGF ligand-receptor interactions","Insulin receptor signalling cascade","RET signaling","Nega
tive regulation of the PI3K/AKT network","Leishmania phagocytosis","FGFR1 mutant receptor activation","VEGFR2 mediated cell proliferation","VEGF binds to VEGFR leading to receptor dimerization","IRS-m
ediated signalling",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","FCGR3A-mediated phagocytosis","Signaling by activated point mutants of FGFR1","PI3K Cascade"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{"VEGFR2 Kinase Inhibitor I",15966-93-5,15966935,SU5408,SU-5408,IN1018,DTXSID30274474,BCP29247,AK688992,"SU 5408; SU5408; VEGFR2 Kinase Inhibitor I","(2,4-Dimethyl-3-ethoxycarbonylpyrrol-5-yl methylen
e)-2-indolinone","(2,4Dimethyl3ethoxycarbonylpyrrol5yl methylene)2indolinone",3-((2,3((2,4-dimethyl-3-e,4dimethyl3e,T4026,"EMD 676480",676480}

> <pdid>
PD015694

> <targets>
{}

> <classes>
{}

> <pubchem_cids>
{5654}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 43 47  0  0  0  0            999 V2000
   -1.3002  -12.7490    0.0000 C   0  0
   -0.0006  -12.0000    0.0000 C   0  0
    0.0015  -10.4991    0.0000 N   0  0
   -1.2959   -9.7446    0.0000 C   0  0
   -1.2922   -8.2446    0.0000 C   0  0
    1.3018   -9.7497    0.0000 C   0  0
    1.3039   -8.2489    0.0000 C   0  0
    2.6042   -7.4995    0.0000 O   0  0
    2.6063   -5.9987    0.0000 C   0  0
    3.9049   -5.2478    0.0000 C   0  0
    3.9039   -3.7478    0.0000 C   0  0
    2.6044   -2.9986    0.0000 C   0  0
    1.3058   -3.7495    0.0000 C   0  0
    1.3068   -5.2495    0.0000 C   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 N   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0008    0.0000 C   0  0
    1.2978    3.7529    0.0000 C   0  0
    2.6004    3.0073    0.0000 N   0  0
    3.8978    3.7617    0.0000 C   0  0
    3.8927    5.2617    0.0000 O   0  0
    5.2003    3.0161    0.0000 C   0  0
    6.4978    3.7705    0.0000 C   0  0
    7.8003    3.0249    0.0000 N   0  0
    9.0982    3.7770    0.0000 C   0  0
   10.3984    3.0291    0.0000 C   0  0
   10.4009    1.5292    0.0000 N   0  0
   11.7012    0.7813    0.0000 C   0  0
    9.1031    0.7770    0.0000 C   0  0
    7.8029    1.5248    0.0000 C   0  0
    1.2954    5.2529    0.0000 C   0  0
   -0.0048    6.0009    0.0000 C   0  0
   -1.3026    5.2488    0.0000 C   0  0
   -1.3002    3.7488    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 22 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 26  1  0
 20 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 19  1  0
 18 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 16  1  0
 43 38  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14022

> <plate>
PLATE 005

> <well>
A2

> <supplier_cmpd_name>
hVEGF-IN-1

> <ctcr_id>
12181

> <supplier_cmpd_id>
T4288

> <smiles>
CCN(CC)CCOc1ccc(cc1)Nc1nc(c2c(NC(=O)CCN3CCN(C)CC3)cccc2)nc2ccccc12

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{VEGFIN,hVEGF-IN-1,hVEGFIN1,1637443-98-1,1637443981,CHEMBL4082658,BCP32794,CS-7769,CS7769,HY-101931,HY101931,T4288}

> <pdid>
PD098932

> <targets>
{VEGF-A}

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

> <pubchem_cids>
{131704486}

$$$$
TargetMol_L2200_Tyrosine kinase 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 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5972   -1.5031    0.0000 N   0  0
   -2.5951   -3.0039    0.0000 C   0  0
   -1.2948   -3.7517    0.0000 S   0  0
   -3.8933   -3.7570    0.0000 N   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 N   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 C   0  0
   -9.0914   -5.2527    0.0000 C   0  0
  -10.3931   -5.9981    0.0000 C   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 C   0  0
  -12.9816   -2.9888    0.0000 C   0  0
  -14.2837   -3.7335    0.0000 F   0  0
  -12.9760   -1.4888    0.0000 F   0  0
  -14.2777   -2.2338    0.0000 F   0  0
    0.0000    3.0000    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  6  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 11  1  0
 14 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  2  0
 23 18  1  0
 21 24  1  0
 24 25  1  0
 24 26  1  0
 24 27  1  0
  4 28  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14023

> <plate>
PLATE 005

> <well>
A3

> <supplier_cmpd_name>
NCT-503

> <ctcr_id>
11839

> <supplier_cmpd_id>
T4213

> <smiles>
Cc1cc(nc(c1)NC(=S)N1CCN(CC1)Cc1ccc(cc1)C(F)(F)F)C

> <pd_targets>
{PHGDH}

> <pathway_gtopdb>
{Enzyme,Oxidoreductase}

> <pathway_chembl>
{}

> <pathway_reactome>
{Metabolism,"Metabolism of amino acids and derivatives","Serine biosynthesis"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{CT50,NCT-503,NCT503,1916571-90-8,1916571908,NCGC00351958-05,NCGC0035195805,CHEMBL4099051,SCHEMBL17927258,BDBM195606,HMS3874C13,BCP20674,EX-A2598,EXA2598,s8619,ZINC526061664,CCG-268744,CCG268744,CS-69
87,CS6987,BS-16217,BS16217,HY-101966,HY101966,"NCT-503, >=98 (HPLC)","NCT503, >=98 (HPLC)",CC1=CC(=NC(=C1)C)NC(=S)N1CCN(CC1)CC1=CC=C(C=C1)C(F)(F)F,T4213}

> <pdid>
PD044186

> <targets>
{PHGDH}

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

> <pubchem_cids>
{118796328}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 19 19  0  0  0  0            999 V2000
    3.8983   -0.7459    0.0000 C   0  0
    2.6003   -1.4977    0.0000 C   0  0
    2.6030   -2.9977    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.0000   -3.0000    0.0000 O   0  0
   -2.6003   -1.4978    0.0000 C   0  0
   -3.8983   -0.7459    0.0000 C   0  0
   -2.6029   -2.9978    0.0000 C   0  0
   -0.0031    3.0008    0.0000 C   0  0
   -1.3039    3.7494    0.0000 C   0  0
   -1.3070    5.2502    0.0000 C   0  0
   -1.3101    6.7502    0.0000 N   0  0
   -2.6024    2.9967    0.0000 C   0  0
   -3.9001    2.2444    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  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
  8 11  1  0
 11 12  1  0
 11 13  1  0
  6 14  1  0
 14 15  2  3
 15 16  1  0
 16 17  3  0
 15 18  1  0
 18 19  3  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14024

> <plate>
PLATE 005

> <well>
A4

> <supplier_cmpd_name>
AG 1406

> <ctcr_id>
12244

> <supplier_cmpd_id>
T4554

> <smiles>
CC(C)c1cc(cc(c1O)C(C)C)C=C(C#N)C#N

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{71308-34-4,71308344,"AG 1406","Propanedinitrile, ((4-hydroxy-3,5-bis(1-methylethyl)phenyl)methylene)-","Propanedinitrile, ((4hydroxy3,5bis(1methylethyl)phenyl)methylene)","2-((4-hydroxy-3,5-di(propan
-2-yl)phenyl)methylidene)propanedinitrile","2((4hydroxy3,5di(propan2yl)phenyl)methylidene)propanedinitrile",DTXSID00433157,BCP32621,AG1406,ZINC138515792,"AG 1406;AG-1406","AG 1406;AG1406",T4554}

> <pdid>
PD087522

> <targets>
{VEGFR2}

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

> <pubchem_cids>
{9943022}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    2.5951   -3.0031    0.0000 C   0  0
    2.5973   -1.5031    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.5517    0.8722    0.0000 N   0  0
   -7.5554    1.9869    0.0000 N   0  0
   -6.8054    3.2859    0.0000 C   0  0
   -5.3382    2.9741    0.0000 C   0  0
   -7.4158    4.6569    0.0000 C   0  0
   -8.8869    4.9237    0.0000 C   0  0
   -9.3922    6.3361    0.0000 C   0  0
   -8.4217    7.4798    0.0000 C   0  0
   -6.9459    7.2112    0.0000 C   0  0
   -6.4406    5.7989    0.0000 C   0  0
    2.5972    1.5031    0.0000 O   0  0
    2.5951    3.0031    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  3  1  0
  6  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  2  0
 16 12  1  0
 15 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 17  1  0
  4 23  1  0
 23 24  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14025

> <plate>
PLATE 005

> <well>
A5

> <supplier_cmpd_name>
JK-P3

> <ctcr_id>
12259

> <supplier_cmpd_id>
T4425

> <smiles>
COc1c(cc(cc1)C(=O)Nc1n[nH]c(c1)c1ccccc1)OC

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{KP,JK-P3,JKP3,942655-44-9,942655449,"3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide","3,4dimethoxyN(5phenyl1Hpyrazol3yl)benzamide","3,4-dimethoxy-n-(5-phenyl-1h-pyrazol-3-yl)-benzamide","3,4dime
thoxyn(5phenyl1hpyrazol3yl)benzamide",BCP32785,MFCD22666405,ZINC28240588,MCULE-4064847103,MCULE4064847103,"JK-P3, >=98 (HPLC)","JKP3, >=98 (HPLC)",Q27455260,4Y0,T4425}

> <pdid>
PD040305

> <targets>
{VEGFR2}

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

> <pubchem_cids>
{35532110}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
   14.2912    0.7774    0.0000 C   0  0
   12.9906    1.5248    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 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8994   -3.7478    0.0000 O   0  0
   -5.1973   -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
    3.8939    0.7546    0.0000 C   0  0
    5.1903    1.5091    0.0000 C   0  0
    5.1852    3.0091    0.0000 Cl  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 19 22  2  0
 22 23  1  0
 23 24  1  0
 22 25  1  0
 25 26  2  0
 26 13  1  0
 26 17  1  0
 11 27  1  0
 27 28  2  0
 28  8  1  0
 28 29  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14026

> <plate>
PLATE 005

> <well>
A6

> <supplier_cmpd_name>
KRN-633

> <ctcr_id>
1264

> <supplier_cmpd_id>
T6137

> <smiles>
CCCNC(=O)Nc1ccc(Oc2ncnc3cc(OC)c(OC)cc23)cc1Cl

> <pd_targets>
{KDR,KIT,FLT1,FLT4,PDGFRA}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor family","Type III RTKs: P
DGFR",CSFR,Kit,"FLT3 receptor family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Signaling by Receptor Tyrosine Kinases","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by VEGF","Signaling by KIT in dise
ase","Signaling by PDGFR in disease","VEGFA-VEGFR2 Pathway","Drug resistance of KIT mutants","VEGF ligand-receptor interactions","Drug resistance of PDGFR mutants","VEGFR2 mediated cell proliferation"
,"Dasatinib-resistant KIT mutants","VEGF binds to VEGFR leading to receptor dimerization","Imatinib-resistant PDGFR mutants"}

> <broad_targets>
{FLT1,FLT4,KDR}

> <broad_moa>
{"VEGFR inhibitor"}

> <synonyms>
{KRN-633,KRN633,286370-15-8,286370158,"KRN 633",K00589a,"1-(2-chloro-4-(6,7-dimethoxyquinazolin-4-yloxy)phenyl)-3-propylurea","1(2chloro4(6,7dimethoxyquinazolin4yloxy)phenyl)3propylurea",CHEMBL406381,
"VEGF receptor tyrosine kinase inhibitor III",UNII-E1V875I8DX,UNIIE1V875I8DX,E1V875I8DX,1-(2-chloro-4-((6,1(2chloro4((6,7-dimethoxyquinazolin-4-y,7dimethoxyquinazolin4y,T6137,S1557}

> <pdid>
PD010972

> <targets>
{VEGFR-PDGFR}

> <classes>
{}

> <pubchem_cids>
{9549295}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 34 37  0  0  0  0            999 V2000
    7.8010   -2.9850    0.0000 C   0  0
    7.7980   -1.4850    0.0000 O   0  0
    6.4972   -0.7364    0.0000 C   0  0
    5.2007   -1.4909    0.0000 C   0  0
    3.8990   -0.7455    0.0000 C   0  0
    2.6003   -1.4977    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -3.8994   -3.7478    0.0000 O   0  0
   -5.1973   -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
    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
    7.7876    1.5211    0.0000 N   0  0
    7.7802    3.0220    0.0000 C   0  0
    6.4773    3.7652    0.0000 O   0  0
    9.0758    3.7795    0.0000 N   0  0
    9.0685    5.2803    0.0000 C   0  0
    7.7656    6.0236    0.0000 C   0  0
   10.3641    6.0379    0.0000 C   0  0
   10.4968    7.5192    0.0000 S   0  0
   11.9630    7.8362    0.0000 C   0  0
   12.7175    6.5397    0.0000 C   0  0
   11.7176    5.4216    0.0000 N   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 13 16  2  0
 16 17  1  0
 17 18  1  0
 16 19  1  0
 19 20  2  0
 20  7  1  0
 20 11  1  0
  5 21  2  0
 21 22  1  0
 22 23  2  0
 23  3  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 28 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 30  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14027

> <plate>
PLATE 005

> <well>
A7

> <supplier_cmpd_name>
Ki20227

> <ctcr_id>
277

> <supplier_cmpd_id>
T4315

> <smiles>
COc1cc(Oc2ccnc3cc(OC)c(OC)cc23)ccc1NC(=O)NC(C)c4sccn4

> <pd_targets>
{BLK,MAP2K2,ABL2,YES1,PTK6,TESK1,FRK,MST1R,ABL1,EPHA1,IRAK3,HIPK4,BMPR1B,CSNK1E,TNK2,ERBB4,FLT1,FLT4,FLT3,MERTK,MET,MAP4K5,RET,MAP3K20,LCK,TNIK,LYN,HCK,PDGFRB,KIT,CDPK1,EGFR,SRC,PDGFRA,NLK,SRMS,MINK1,
AXL,KDR,MAP2K1,TGFBR2,CSK,CSF1R,EPHA8,MAP3K19,MAP2K5,DDR1,RIPK2,AURKC,BTK,NEK11,GAK,STK4,TYRO3,PLK4,SLK,DDR2,AURKB,FYN,FGR,LIMK2,STK10,AURKA,EPHB6}

> <pathway_gtopdb>
{Enzyme,"Unclassified protein",Kinase,"Protein Kinase","TK protein kinase group","STE protein kinase group","TKL protein kinase group","CMGC protein kinase group","CK1 protein kinase group","Other pro
tein kinase group","Tyrosine protein kinase Src family","STE protein kinase STE7 family","Tyrosine protein kinase Abl family","TKL protein kinase LISK family","Tyrosine protein kinase Met family","Tyr
osine protein kinase Eph family","TKL protein kinase IRAK family","CMGC protein kinase DYRK family","TKL protein kinase STKR family","CK1 protein kinase CK1 family","Tyrosine protein kinase Ack family
","Tyrosine protein kinase EGFR family","Tyrosine protein kinase VEGFR family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Axl family","STE protein kinase STE20 family","Tyrosine p
rotein kinase Ret family","TKL protein kinase MLK family","CMGC protein kinase MAPK family","Tyrosine protein kinase Csk family","STE protein kinase STE11 family","Tyrosine protein kinase DDR family",
"TKL protein kinase RIPK family","Other protein kinase AUR family","Tyrosine protein kinase Tec family","Other protein kinase NEK family","Other protein kinase NAK family","Other protein kinase PLK fa
mily","TKL protein kinase TESK subfamily","CMGC protein kinase HIPK subfamily","TKL protein kinase STKR Type 1 subfamily","STE protein kinase KHS subfamily","TKL protein kinase MLK subfamily","STE pro
tein kinase MSN subfamily","CMGC protein kinase nmo subfamily","Tyrosine protein kinase Srm","TKL protein kinase STKR Type 2 subfamily","Other protein kinase Nek11","STE protein kinase MST subfamily",
"STE protein kinase SLK subfamily","Tyrosine protein kinase SrcA","TKL protein kinase LIMK subfamily"}

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases","STE: Homologs of yeast Sterile 7","Sterile 11","Sterile 20 kinases","CMGC: Containing CDK",MAPK,GSK3,"CLK families",
"CK1: Casein kinase 1","TK: Tyrosine kinase","STE7 family","TKL: Tyrosine kinase-like","Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase (DYRK) family","Casein kinase 1 (CK1) family","ST
E20 family","Mitogen-activated protein kinases (MAP kinases)","Other protein kinases","Non-receptor tyrosine kinases (nRTKs)","LIM domain kinase (LISK) family","Receptor tyrosine kinases (RTKs)","Inte
rleukin-1 receptor-associated kinase (IRAK) family","HIPK subfamily","Receptor serine/threonine kinase (RSTK) family","KHS subfamily","Mixed Lineage Kinase (MLK) family","MSN subfamily","nmo subfamily
","STE20 subfamily","Receptor interacting protein kinase (RIPK) family","Aurora kinase (Aur) family","NIMA (never in mitosis gene a)- related kinase (NEK) family","Numb-associated kinase (NAK) family"
,"MST subfamily","Polo-like kinase (PLK) family","SLK subfamily","Src family","Abl family","TESK subfamily","Type X RTKs: HGF (hepatocyte growth factor) receptor family","Type XIII RTKs: Ephrin recept
or family","Type I receptor serine/threonine kinases","Ack family","Type I RTKs: ErbB (epidermal growth factor) receptor family","Type IV RTKs: VEGF (vascular endothelial growth factor) receptor famil
y","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XIV RTKs: RET","MLK subfamily","Type II receptor serine/threonine kinases
","Csk family","Type XVI RTKs: DDR (collagen receptor) family","Tec family","LIMK subfamily"}

> <pathway_reactome>
{"Gene expression (Transcription)","Signal Transduction","Developmental Biology",Disease,"Cell Cycle","Cell-Cell communication","Immune System","Neuronal System",Hemostasis,"Cellular responses to exte
rnal stimuli","Extracellular matrix organization","Vesicle-mediated transport","RNA Polymerase II Transcription","Signaling by Receptor Tyrosine Kinases","Nervous system development","Infectious disea
se",Mitotic,"Cell junction organization","Intracellular signaling by second messengers","Innate Immune System","Signaling by TGFB family members","Transmission across Chemical Synapses","Cell surface 
interactions at the vascular wall","Cellular responses to stress","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by GPCR","Signaling by WNT","Signaling b
y Non-Receptor Tyrosine Kinases","Non-integrin membrane-ECM interactions","Membrane Trafficking","Signaling by Hippo","Generic Transcription Pathway","Signaling by NTRKs","Axon guidance","Leishmania i
nfection","Mitotic G1 phase and G1/S transition","Cell-extracellular matrix interactions","PIP3 activates AKT signaling","Signaling by MST1","Toll-like Receptor Cascades","Signaling by BMP","Mitotic G
2-G2/M phases","Neurotransmitter receptors and postsynaptic signal transmission","Signaling by VEGF","Signaling by Insulin receptor","HIV Infection","Cellular Senescence","Signaling by KIT in disease"
,"GPCR downstream signalling","Signaling by PDGFR in disease","Beta-catenin independent WNT signaling","Signaling by PTK6","Signaling by TGF-beta Receptor Complex in Cancer","Oncogenic MAPK signaling"
,"trans-Golgi Network Vesicle Budding","M Phase","Neutrophil degranulation","Transcriptional regulation by RUNX1","Signaling by NTRK1 (TRKA)","Signaling by ROBO receptors","Leishmania parasite growth 
and survival","G1 Phase","Regulation of cytoskeletal remodeling and cell spreading by IPP complex components","PTEN Regulation","Parasite infection","EPH-Ephrin signaling","Toll Like Receptor 2 (TLR2)
 Cascade","G2/M Transition","Activation of NMDA receptors and postsynaptic events","VEGF ligand-receptor interactions","Insulin receptor signalling cascade","Semaphorin interactions","RET signaling","
Host Interactions of HIV factors","Oxidative Stress Induced Senescence","Negative regulation of the PI3K/AKT network","Drug resistance of KIT mutants","G alpha (q) signalling events","Drug resistance 
of PDGFR mutants","Ca2+ pathway","PTK6 Down-Regulation","VEGFA-VEGFR2 Pathway","Loss of Function of SMAD2/3 in Cancer","Signaling by RAS mutants","Transcriptional Regulation by VENTX","Toll Like Recep
tor 5 (TLR5) Cascade","Golgi Associated Vesicle Biogenesis","Mitotic Metaphase and Anaphase","Transcriptional Regulation by TP53","RUNX1 regulates transcription of genes involved in BCR signaling","Si
gnalling to ERKs","Role of ABL in ROBO-SLIT signaling","Anti-inflammatory response favouring Leishmania parasite infection","Cyclin D associated events in G1","Regulation of PTEN stability and activit
y","Leishmania phagocytosis","EPHA-mediated growth cone collapse","Toll Like Receptor TLR6:TLR2 Cascade","Centrosome maturation","Post NMDA receptor activation events","VEGF binds to VEGFR leading to 
receptor dimerization","IRS-mediated signalling","Sema4D in semaphorin signaling","The role of Nef in HIV-1 replication and disease pathogenesis",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Dasa
tinib-resistant KIT mutants","Gastrin-CREB signalling pathway via PKC and MAPK","Imatinib-resistant PDGFR mutants","VEGFR2 mediated cell proliferation","SMAD2/3 Phosphorylation Motif Mutants in Cancer
","Signaling downstream of RAS mutants","Signalling to ERK5","MyD88 cascade initiated on plasma membrane","Mitotic Anaphase","Regulation of TP53 Activity","EPHB-mediated forward signaling","Prolonged 
ERK activation events","FCGR3A-mediated IL10 synthesis","FCGR3A-mediated phagocytosis","MyD88:MAL(TIRAP) cascade initiated on plasma membrane","Loss of proteins required for interphase microtubule org
anization from the centrosome","Long-term potentiation","PI3K Cascade","Sema4D mediated inhibition of cell attachment and migration","Nef-mediates down modulation of cell surface receptors by recruiti
ng them to clathrin adapters","Nef and signal transduction","EGFR Transactivation by Gastrin","Signalling to RAS","MAP kinase activation","Separation of Sister Chromatids","Sema4D induced cell migrati
on and growth-cone collapse","Regulation of TP53 Activity through Phosphorylation","Frs2-mediated activation","Loss of Nlp from mitotic centrosomes","Nef Mediated CD4 Down-regulation","p38MAPK events"
,"activated TAK1 mediates p38 MAPK activation"}

> <broad_targets>
{CSF1R,KDR,KIT,PDGFRB}

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

> <synonyms>
{"I20227 (+/",Ki20227,623142-96-1,623142961,Ki-20227,"Ki 20227",CHEMBL1908396,Ki20227(+/-),Ki20227(+/),PubChem22465,GTPL5690,SCHEMBL4475167,DTXSID80432108,SYN1049,HMS3244K11,HMS3244K12,HMS3244L11,BCP0
1956,EX-A2305,EXA2305,ABP000277,BDBM50355494,s7688,AKOS015904288,CS-0260,CS0260,NCGC002631,T4315,SY-Ki20227,"Ki20227 (+/-)"}

> <pdid>
PD012949

> <targets>
{"Other RTKs",FMS,c-Fms,c-Kit,PDGFR,VEGFR}

> <classes>
{Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{9869779}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 42 46  0  0  0  0            999 V2000
    7.3532    1.3071    0.0000 C   0  0
    5.8532    1.3040    0.0000 O   0  0
    5.1047    0.0031    0.0000 C   0  0
    3.6065    0.0000    0.0000 C   0  0
    2.7248   -1.2135    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.7248    1.2135    0.0000 C   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
    1.9262    6.3982    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
    3.1905   -2.6376    0.0000 C   0  0
    4.6589   -2.9478    0.0000 N   0  0
    5.1272   -4.3728    0.0000 C   0  0
    6.5954   -4.6799    0.0000 C   0  0
    7.5954   -3.5619    0.0000 O   0  0
    7.1272   -2.1368    0.0000 C   0  0
    5.6590   -1.8298    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  4  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14  9  1  0
 12 15  1  0
 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
 11 30  1  0
  7 31  1  0
 31 32  2  3
 32 33  1  0
 33 34  2  3
 34  6  1  0
 31 35  1  0
  5 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 40 41  1  0
 41 42  1  0
 42 37  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14028

> <plate>
PLATE 005

> <well>
A8

> <supplier_cmpd_name>
ACTB-1003

> <ctcr_id>
12258

> <supplier_cmpd_id>
T4318

> <smiles>
COCC1=C(N2C(=C1C3=CC(=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F)F)C(=NC=N2)N)CN5CCOCC5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{KDR,TEK}

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

> <synonyms>
{CTB100,Q27258717,ACTB-1003,ACTB1003,939805-30-8,939805308,UNII-44750KD9OE,UNII44750KD9OE,EOC317,44750KD9OE,"ACTB 1003",SCHEMBL275751,CHEMBL3991934,EX-A536,EXA536,BCP13578,MFCD25976782,NSC799324,ZINC6
8247511,CS-3723,CS3723,NSC-799324,SB17196,NCGC00481611-02,NCGC0048161102,DA-40320,DA40320,HY-16025,HY16025,QC-11754,QC11754,FT-0700,FT0700,T4318}

> <pdid>
PD063390

> <targets>
{FGFR1,VEGFR2,Tie-2,FGFR,VEGFR}

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

> <pubchem_cids>
{23653175}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 24 26  0  0  0  0            999 V2000
    9.1117   -3.7308    0.0000 C   0  0
    7.8090   -2.9872    0.0000 O   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
    7.7851    3.0136    0.0000 Cl  0  0
    6.4939    0.7591    0.0000 C   0  0
    6.4990   -0.7409    0.0000 C   0  0
    5.2003   -1.4932    0.0000 N   0  0
    3.8990   -0.7455    0.0000 C   0  0
    3.8964    0.7545    0.0000 O   0  0
    2.6003   -1.4977    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
    0.0000    3.0000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -2.5981   -3.0000    0.0000 C   0  0
   -1.2990   -3.7500    0.0000 C   0  0
    0.0000   -3.0000    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  6  8  1  0
  8  9  2  0
  9  3  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  1  0
 16 18  2  0
 18 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  2  0
 24 14  1  0
 24 19  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14029

> <plate>
PLATE 005

> <well>
A9

> <supplier_cmpd_name>
PQ401 hydrochloride (196868-63-0(free base))

> <ctcr_id>
3485

> <supplier_cmpd_id>
T4324

> <smiles>
COc1ccc(Cl)cc1NC(=O)Nc2cc(C)nc3ccccc23

> <pd_targets>
{IGF1R}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type II RTKs: Insulin receptor family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by Type 1 Insulin-like Growth Factor 1 Receptor (IGF1R)","IGF1R signaling cascade","IRS-related events triggered by IGF1R"}

> <broad_targets>
{IGF1R}

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

> <synonyms>
{PQ401,196868-63-0,196868630,"PQ 401",PQ-401,1-(5-Chloro-2-methoxyphenyl)-3-(2-methylquinolin-4-yl)urea,1(5Chloro2methoxyphenyl)3(2methylquinolin4yl)urea,"IGF-1R Inhibitor II","IGF1R Inhibitor II",TCM
DC-125497,TCMDC125497,UNII-2N3LV83S8J,UNII2N3LV83S8J,N-(5-Chloro-2-methoxyphenyl)-N'-(2-methyl-4-quinolinyl)urea,N(5Chloro2methoxyphenyl)N'(2methyl4quinolinyl)urea,2N3LV83S8J,CHEMBL439259,MFCD00160558
,K0061,T4324,"EMD 407248",2768,"PQ401 hydrochloride (196868-63-0(free base))",407248}

> <pdid>
PD002611

> <targets>
{"Insulin and insulin-like Receptors",IGF-1R}

> <classes>
{}

> <pubchem_cids>
{9549305}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 43 47  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8933    3.7570    0.0000 C   0  0
    3.8933    5.2571    0.0000 C   0  0
    5.1924    6.0071    0.0000 C   0  0
    5.1923    7.5078    0.0000 C   0  0
    3.9801    8.3696    0.0000 C   0  0
    4.4459    9.7954    0.0000 C   0  0
    5.9459    9.7931    0.0000 C   0  0
    6.4072    8.3658    0.0000 S   0  0
    6.4914    5.2571    0.0000 C   0  0
    6.4915    3.7571    0.0000 N   0  0
    5.1925    3.0071    0.0000 C   0  0
    1.2948    3.7517    0.0000 O   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -9.0998    3.7409    0.0000 C   0  0
  -10.3985    2.9886    0.0000 N   0  0
  -11.7002    3.7340    0.0000 C   0  0
  -12.9966    2.9795    0.0000 C   0  0
  -12.9914    1.4795    0.0000 N   0  0
  -14.2870    0.7219    0.0000 C   0  0
  -14.2796   -0.7781    0.0000 C   0  0
  -11.6898    0.7340    0.0000 C   0  0
  -10.3933    1.4885    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -6.4995    5.2440    0.0000 C   0  0
   -7.7981    5.9948    0.0000 F   0  0
   -5.2003    5.9937    0.0000 F   0  0
   -6.4989    6.7440    0.0000 F   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -2.6030    2.9977    0.0000 O   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  1  0
  9 10  2  3
 10 11  1  0
 11 12  2  3
 12 13  1  0
 13  9  1  0
  8 14  2  3
 14 15  1  0
 15 16  2  3
 16  6  1  0
  5 17  2  0
  3 18  1  0
 18 19  2  3
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  3
 23 24  1  0
 24 25  2  3
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 34 27  1  0
 25 35  1  0
 35 36  1  0
 36 37  1  0
 36 38  1  0
 36 39  1  0
 35 40  2  3
 40 22  1  0
 20 41  2  0
 19 42  1  0
 42 43  2  3
 43  2  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14030

> <plate>
PLATE 005

> <well>
A10

> <supplier_cmpd_name>
ALW-II-41-27

> <ctcr_id>
13501

> <supplier_cmpd_id>
T4344

> <smiles>
CC1=C(NC(C2=CC(C3=CC=CS3)=CN=C2)=O)C=C(C(NC4=CC=C(CN5CCN(CC)CC5)C(C(F)(F)F)=C4)=O)C=C1

> <pd_targets>
{DDR2,SRC}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)","Type XVI RTKs: DDR (collagen receptor) family","Sr
c family"}

> <pathway_reactome>
{"Extracellular matrix organization","Signal Transduction","Non-integrin membrane-ECM interactions","Signaling by Receptor Tyrosine Kinases","Signaling by NTRKs","Signaling by NTRK1 (TRKA)","Signallin
g to ERKs","Signalling to RAS","p38MAPK events"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{LWII412,ALW-II-41-27,ALWII4127,1186206-79-0,1186206790,MLS002232274,CHEMBL556140,SCHEMBL20136698,DTXSID80655254,"ALW II-41-27","ALW II4127",BDBM163701,HMS2043H01,HMS2218G07,HMS3333E20,BCP26205,EX-A26
18,EXA2618,ZINC42966573,CS-1203,CS1203,NCGC00390558-01,NCGC0039055801,HY-18007,HY18007,SMR001307828,A12493,W-6044,W6044,T4344}

> <pdid>
PD078928

> <targets>
{Ephrin Receptor}

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

> <pubchem_cids>
{42628503}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 42 46  0  0  1  0            999 V2000
    4.8036   -3.1167    0.0000 O   0  0
    4.0559   -4.4171    0.0000 C   0  0
    2.5551   -4.4192    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 N   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -7.7891   -1.5185    0.0000 C   0  0
   -7.7834   -3.0185    0.0000 C   0  0
   -9.0912   -0.7738    0.0000 O   0  0
   -9.0852   -2.2736    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
   -0.6928   -4.0817    0.0000 C   0  0  1  0  0  0
   -2.1743   -3.8808    0.0000 C   0  0
   -3.0913   -5.0679    0.0000 C   0  0
   -2.5218   -6.4556    0.0000 C   0  0  1  0  0  0
   -3.4369   -7.6452    0.0000 C   0  0
   -2.8651   -9.0328    0.0000 N   0  0
   -3.7801  -10.2224    0.0000 C   0  0
   -3.2086  -11.6093    0.0000 C   0  0
   -5.2670  -10.0244    0.0000 C   0  0
   -4.9237   -7.4471    0.0000 O   0  0
   -1.0353   -6.6562    0.0000 C   0  0
   -0.1183   -5.4691    0.0000 C   0  0
    4.8090   -5.7153    0.0000 C   0  0
    6.3090   -5.7153    0.0000 C   0  0
    7.0591   -7.0143    0.0000 C   0  0
    6.3091   -8.3134    0.0000 C   0  0
    7.0592   -9.6124    0.0000 F   0  0
    4.8091   -8.3134    0.0000 C   0  0
    4.0591   -7.0144    0.0000 C   0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  4  5  2  3
  5  6  1  0
  6  7  2  3
  7  8  1  0
  8  9  2  3
  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
 15 17  1  0
 15 18  1  0
 14 19  1  0
 19 20  1  0
 20 11  1  0
  9 21  1  0
 21 22  2  3
 22  6  1  0
 22 23  1  0
 23  4  1  0
 24 23  1  6
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  6
 28 29  1  0
 29 30  1  0
 30 31  1  0
 30 32  1  0
 28 33  2  0
 27 34  1  0
 34 35  1  0
 35 24  1  0
  2 36  1  0
 36 37  2  3
 37 38  1  0
 38 39  2  3
 39 40  1  0
 39 41  1  0
 41 42  2  3
 42 36  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14031

> <plate>
PLATE 005

> <well>
A11

> <supplier_cmpd_name>
Belizatinib

> <ctcr_id>
12624

> <supplier_cmpd_id>
T4257

> <smiles>
O=C(NC1=NC2=CC=C(CN3CCC(C(C)(O)C)CC3)C=C2N1[C@H]4CC[C@@H](C(NC(C)C)=O)CC4)C5=CC=C(F)C=C5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

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

> <synonyms>
{"Belizatinib (WHO-DD)","Belizatinib (WHODD)",Belizatinib(TSR-011),Belizatinib(TSR011),"TSR-011 (Belizatinib)","TSR011 (Belizatinib)",Belizatinib,1357920-84-3,1357920843,"Belizatinib (TSR011)",TSR-011
,TSR011,UNII-Z8A6022P3J,UNIIZ8A6022P3J,CHEMBL2172308,Z8A6022P3J,"Belizatinib (INN)","Belizatinib (TSR-011)",SCHEMBL573248,SCHEMBL573249,T4257,T4283,SRI-011381}

> <pdid>
PD086857

> <targets>
{ALK,Trk Receptor}

> <classes>
{Tyrosine Kinase/Adaptors,Neuronal Signaling,Protein Tyrosine Kinase/RTK}

> <pubchem_cids>
{57345941}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 29 31  0  0  0  0            999 V2000
    2.5909   -6.0056    0.0000 C   0  0
    3.8912   -5.2578    0.0000 C   0  0
    3.8883   -6.7578    0.0000 C   0  0
    5.1887   -6.0105    0.0000 O   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 S   0  0
    1.2948   -3.7516    0.0000 O   0  0
    2.5923   -4.5039    0.0000 O   0  0
    2.5973   -1.5031    0.0000 N   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.5981    1.5000    0.0000 C   0  0
   -3.8971    0.7500    0.0000 N   0  0
   -3.8971   -0.7500    0.0000 C   0  0
   -2.5981   -1.5000    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -5.1984    1.4977    0.0000 C   0  0
   -5.2011    2.9977    0.0000 O   0  0
   -6.4971    0.7454    0.0000 C   0  0
   -7.7984    1.4932    0.0000 O   0  0
   -9.0971    0.7409    0.0000 C   0  0
  -10.3988    1.4863    0.0000 C   0  0
  -11.6952    0.7318    0.0000 C   0  0
  -11.6900   -0.7682    0.0000 C   0  0
  -10.3884   -1.5137    0.0000 N   0  0
   -9.0920   -0.7592    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 13  1  0
 18 19  2  0
 19 10  1  0
 15 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14032

> <plate>
PLATE 005

> <well>
B2

> <supplier_cmpd_name>
Nampt-IN-1

> <ctcr_id>
11856

> <supplier_cmpd_id>
T4376

> <smiles>
CC(C)(O)CS(=O)(=O)Nc1ccc2CN(CCc2c1)C(=O)COc3cccnc3

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
{}

> <broad_moa>
{}

> <synonyms>
{AMPTIN,Nampt-IN-1,NamptIN1,1698878-14-6,1698878146,LSN3154567,"Nampt-IN 1","NamptIN 1",CHEMBL3586462,SCHEMBL16634738,BCP25239,EX-A2743,EXA2743,LSN3154567(Nampt-IN-1),LSN3154567(NamptIN1),NSC789099,ZI
NC253387927,CS-5008,CS5008,NSC-789099,SB19031,HY-12971,HY12971,LY3154567,LY-3154567,CC(C)(O)CS(=O)(=O)Nc1ccc2CN(CCc2c1)C(=O)COc1,T4376}

> <pdid>
PD062437

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

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

> <pubchem_cids>
{92044379}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 36 39  0  0  1  0            999 V2000
    4.2010   -3.2956    0.0000 C   0  0
    4.9531   -1.9978    0.0000 C   0  0
    3.9511   -0.8815    0.0000 C   0  0  1  0  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 N   0  0
    0.0000    1.5000    0.0000 C   0  0
   -0.3115    2.9665    0.0000 C   0  0
   -1.8032    3.1233    0.0000 C   0  0
   -2.4133    1.7530    0.0000 N   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
    0.6890    4.0818    0.0000 N   0  0
    0.2234    5.5086    0.0000 C   0  0
   -1.2443    5.8182    0.0000 O   0  0
    1.2255    6.6258    0.0000 N   0  0
    0.8993    8.0768    0.0000 C   0  0
    2.1985    8.8266    0.0000 C   0  0
    3.3130    7.8227    0.0000 C   0  0  1  0  0  0
    2.7027    6.4525    0.0000 C   0  0
    4.7803    8.1344    0.0000 O   0  0
    4.2567    0.5878    0.0000 C   0  0
    3.2235    1.6679    0.0000 C   0  0
    3.6446    3.1076    0.0000 C   0  0
    5.1019    3.4627    0.0000 C   0  0
    6.1382    2.3782    0.0000 C   0  0
    5.7171    0.9385    0.0000 C   0  0
    7.5955    2.7333    0.0000 F   0  0
    1.7662    1.3123    0.0000 F   0  0
   11.3962    4.2655    0.0000 O   0  0
   11.3962    2.7655    0.0000 S   0  0
   10.0970    2.0159    0.0000 O   0  0
   12.6955    2.0159    0.0000 O   0  0
   11.3962    1.2655    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  1  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12  8  1  0
 12 13  1  0
 13 14  2  0
 14  6  1  0
  9 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 18  1  0
 21 23  1  6
  3 24  1  1
 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
 25 31  1  0
 32 33  1  0
 33 34  2  0
 33 35  2  0
 33 36  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14033

> <plate>
PLATE 005

> <well>
B3

> <supplier_cmpd_name>
Larotrectinib sulfate

> <ctcr_id>
12694

> <supplier_cmpd_id>
T6880

> <smiles>
C1C[C@@H](N(C1)c1nc2c(cnn2cc1)NC(=O)N1CC[C@@H](C1)O)c1c(ccc(c1)F)F.OS(=O)(=O)O

> <pd_targets>
{NTRK1,NTRK3,NTRK2}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TK: Tyrosine kinase","Receptor tyrosine kinases (RTKs)","Type VII RTKs: Neurotrophin receptor/Trk family"}

> <pathway_reactome>
{"Signal Transduction","Signaling by Receptor Tyrosine Kinases","Signaling by NTRKs","Signaling by NTRK1 (TRKA)","Signaling by NTRK3 (TRKC)","Signalling to ERKs","Activated NTRK3 signals through PI3K"
,"Activation of TRKA receptors","Prolonged ERK activation events","NGF-independant TRKA activation","ARMS-mediated activation"}

> <broad_targets>
{NTRK1,NTRK2,NTRK3}

> <broad_moa>
{"tropomyosin receptor kinase inhibitor"}

> <synonyms>
{"Larotrectinib sulfate","LOXO-101 sulfate","LOXO101 sulfate",1223405-08-0,1223405080,"ARRY-470 sulfate","ARRY470 sulfate","LOXO-101 (sulfate)","LOXO101 (sulfate)",UNII-RDF76R62ID,UNIIRDF76R62ID,RDF76
R62ID,"1223405-08-0 (sulfate)","1223405080 (sulfate)","Vitrakvi (TN)",LOXO-101(sulfate),LOXO101(sulfate),"Larotrectinib sulfate (USAN)",SCHEMBL2239598,CHE,T6880}

> <pdid>
PD024480

> <targets>
{"Trk receptor",Trk,Apoptosis,"Trk Receptor"}

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

> <pubchem_cids>
{67330085}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 41 45  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 N   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -3.8964   -0.7545    0.0000 O   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4994    0.7432    0.0000 C   0  0
   -7.7985    1.4932    0.0000 C   0  0
   -7.7985    2.9932    0.0000 C   0  0
   -6.4995    3.7432    0.0000 C   0  0
   -5.2004    2.9933    0.0000 C   0  0
   -9.0967    3.7462    0.0000 C   0  0
   -9.0947    5.2471    0.0000 N   0  0
  -10.3911    6.0016    0.0000 C   0  0
  -10.3859    7.5016    0.0000 C   0  0
   -9.0843    8.2471    0.0000 N   0  0
   -7.7879    7.4927    0.0000 C   0  0
   -7.7930    5.9927    0.0000 C   0  0
   -9.0792    9.7471    0.0000 C   0  0
   -9.0982    0.7427    0.0000 C   0  0
   -9.0991   -0.7573    0.0000 F   0  0
  -10.3970    1.4931    0.0000 F   0  0
  -10.3976   -0.0067    0.0000 F   0  0
    2.5972    1.5031    0.0000 N   0  0
    2.5951    3.0039    0.0000 C   0  0
    3.8915    3.7585    0.0000 N   0  0
    3.8863    5.2585    0.0000 C   0  0
    2.5847    6.0040    0.0000 C   0  0
    1.2883    5.2495    0.0000 C   0  0
    1.2934    3.7495    0.0000 N   0  0
   -0.0140    5.9954    0.0000 C   0  0
   -0.0217    7.4954    0.0000 C   0  0
   -1.3245    8.2388    0.0000 N   0  0
   -2.6197    7.4823    0.0000 C   0  0
   -2.6122    5.9823    0.0000 C   0  0
   -1.3094    5.2389    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  0
  9 11  1  0
 11 12  2  3
 12 13  1  0
 13 14  2  3
 14 15  1  0
 15 16  2  3
 16 11  1  0
 14 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  1  0
 23 18  1  0
 21 24  1  0
 13 25  1  0
 25 26  1  0
 25 27  1  0
 25 28  1  0
  3 29  1  0
 29 30  1  0
 30 31  2  3
 31 32  1  0
 32 33  2  3
 33 34  1  0
 34 35  2  3
 35 30  1  0
 34 36  1  0
 36 37  2  3
 37 38  1  0
 38 39  2  3
 39 40  1  0
 40 41  2  3
 41 36  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14034

> <plate>
PLATE 005

> <well>
B4

> <supplier_cmpd_name>
Flumatinib

> <ctcr_id>
12430

> <supplier_cmpd_id>
T4320

> <smiles>
CC1=C(C=C(C=N1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5

> <pd_targets>
{PDGFRB,ABL1,KIT,BCR}

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

> <pathway_chembl>
{Receptors,Enzymes,"Catalytic receptors","Kinases (EC 2.7.x.x)","Receptor kinases",Atypical,"TK: Tyrosine kinase","BCR family","Receptor tyrosine kinases (RTKs)","Non-receptor tyrosine kinases (nRTKs)
","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Abl family"}

> <pathway_reactome>
{"Signal Transduction",Disease,"Intracellular signaling by second messengers","Infectious disease","Diseases of signal transduction by growth factor receptors and second messengers","PIP3 activates AK
T signaling","Leishmania infection","Signaling by KIT in disease","Signaling by FGFR in disease","Negative regulation of the PI3K/AKT network","Parasite infection","Drug resistance of KIT mutants","Si
gnaling by FGFR1 in disease",PI5P,"PP2A and IER3 Regulate PI3K/AKT Signaling","Leishmania phagocytosis","Dasatinib-resistant KIT mutants","FGFR1 mutant receptor activation","FCGR3A-mediated phagocytos
is","Signaling by cytosolic FGFR1 fusion mutants"}

> <broad_targets>
{ABL1,PDGFRB}

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

> <synonyms>
{"895519-90-1 (free base)","895519901 (free base)",Flumatinib,895519-90-1,895519901,HH-GV678,HHGV678,"Flumatinib free base",UNII-R4009Y24AI,UNIIR4009Y24AI,HHGV-678,R4009Y24AI,HH-GV-678,GTPL9913,SCHEMB
L4883843,CHEMBL3545413,DTXSID60237779,BCP23797,EX-A3572,EXA3572,BDBM50529313,ZINC68244727,CS-5550,CS5550,DB11,T4320}

> <pdid>
PD052371

> <targets>
{c-Abl,PDGFR¦Â,c-Kit,Bcr-Abl,PDGFR}

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

> <pubchem_cids>
{46848036}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 40 44  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 C   0  0
    1.2990   -0.7500    0.0000 N   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 N   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.5987    1.5004    0.0000 C   0  0
   -2.6012    3.0004    0.0000 C   0  0
   -3.9015    3.7484    0.0000 C   0  0
   -5.1993    2.9963    0.0000 N   0  0
   -5.1969    1.4963    0.0000 C   0  0
   -3.8967    0.7484    0.0000 C   0  0
   -6.5002    3.7446    0.0000 C   0  0
   -7.7969    2.9905    0.0000 C   0  0
   -9.0983    3.7364    0.0000 C   0  0
   -9.1031    5.2364    0.0000 C   0  0
   -7.8065    5.9905    0.0000 C   0  0
   -6.5050    5.2446    0.0000 C   0  0
   -5.2093    6.0019    0.0000 O   0  0
   -3.9058    5.2596    0.0000 C   0  0
  -10.4037    5.9854    0.0000 N   0  0
  -10.4063    7.4862    0.0000 C   0  0
   -9.1071    8.2359    0.0000 N   0  0
   -9.1066    9.7359    0.0000 C   0  0
   -7.8051   10.4833    0.0000 N   0  0
   -6.5067    9.7307    0.0000 C   0  0
   -5.2047   10.4757    0.0000 C   0  0
   -3.9085    9.7209    0.0000 C   0  0
   -3.9141    8.2209    0.0000 O   0  0
   -5.2160    7.4758    0.0000 C   0  0
   -6.5122    8.2306    0.0000 C   0  0
  -10.4055   10.4863    0.0000 C   0  0
  -10.4081   11.9871    0.0000 C   0  0
  -11.7080   12.7356    0.0000 C   0  0
  -11.7047    9.7366    0.0000 N   0  0
  -11.7051    8.2366    0.0000 C   0  0
  -13.0067    7.4893    0.0000 C   0  0
  -13.0098    5.9893    0.0000 N   0  0
  -14.3044    8.2416    0.0000 O   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 11 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 14  1  0
 19 20  1  0
 20 21  1  0
 17 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 27  1  0
 25 33  2  0
 33 34  1  0
 34 35  1  0
 33 36  1  0
 36 37  2  0
 37 23  1  0
 37 38  1  0
 38 39  1  0
 38 40  2  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14035

> <plate>
PLATE 005

> <well>
B5

> <supplier_cmpd_name>
Gilteritinib

> <ctcr_id>
12388

> <supplier_cmpd_id>
T4409

> <smiles>
CN1CCN(CC1)C2CCN(CC2)c3ccc(cc3OC)Nc5nc(NC4CCOCC4)c(CC)nc5C(N)=O

> <pd_targets>
{MERTK,LTK,ALK,AXL,RET,NTRK1,FLT3,ROS1,REP,ETV6,EML4,HTR1A,HTR1B,HTR1D,HTR1E,HTR1F,HTR2A,HTR2B,HTR2C,HTR3A,HTR3B,HTR3C,HTR3D,HTR3E,HTR4,HTR6,HTR7}

> <pathway_gtopdb>
{Enzyme,Kinase,Transferase,"Protein Kinase","TK protein kinase group","TKL protein kinase group","Tyrosine protein kinase Axl family","Tyrosine protein kinase Alk family","TKL protein kinase STKR fami
ly","Tyrosine protein kinase Ret family","Tyrosine protein kinase Trk family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Sev family","TKL protein kinase STKR Type 1 subfamily"}

> <pathway_chembl>
{Receptors,"Other protein targets","Catalytic receptors","Anti-infective targets","Receptor kinases","Viral protein targets","TK: Tyrosine kinase","Coronavirus (CoV) proteins","Receptor tyrosine kinas
es (RTKs)","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type XIV RTKs: RET","Type VII RTKs: Neurotrophin receptor/Tr
k family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XVII RTKs: ROS receptors"}

> <pathway_reactome>
{Hemostasis,"Signal Transduction","Developmental Biology",Disease,"Cell surface interactions at the vascular wall","Signaling by Receptor Tyrosine Kinases","Nervous system development","Infectious dis
ease","Signaling by VEGF","Axon guidance","Signaling by NTRKs","Signaling by Insulin receptor","SARS-CoV Infections","VEGFA-VEGFR2 Pathway","RET signaling","Signaling by NTRK1 (TRKA)","Insulin recepto
r signalling cascade","SARS-CoV-2 Infection","Signalling to ERKs","IRS-mediated signalling","SARS-CoV-2 Genome Replication and Transcription","Prolonged ERK activation events","PI3K Cascade","Replicat
ion of the SARS-CoV-2 genome","ARMS-mediated activation"}

> <broad_targets>
{FLT3}

> <broad_moa>
{"FLT3 inhibitor"}

> <synonyms>
{Gilteritinib,1254053-43-4,1254053434,ASP2215,ASP-2215,Xospata,UNII-66D92MGC8M,UNII66D92MGC8M,"ASP 2215",66D92MGC8M,"Gilteritinib HCl","1254053-43-4 (free base)","1254053434 (free base)","Gilteritinib
 (USAN:INN)","Gilteritinib (ASP2215)",gilteritinibum,C6F,Gilteritinib(ASP2215),"Gilteritinib (",T4409}

> <pdid>
PD050507

> <targets>
{FLT3,"TAM Receptor",AXL}

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

> <pubchem_cids>
{49803313}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 37 39  0  0  0  0            999 V2000
   15.3362   -0.7597    0.0000 Cl  0  0
   12.8362   -0.7597    0.0000 Cl  0  0
   -3.9477   -7.1844    0.0000 O   0  0
   -2.8628   -6.1485    0.0000 C   0  0
   -1.4233   -6.5700    0.0000 C   0  0
   -0.3384   -5.5341    0.0000 C   0  0
   -0.6928   -4.0817    0.0000 C   0  0
   -2.1327   -3.6551    0.0000 C   0  0
   -3.2175   -4.6910    0.0000 C   0  0
    0.3114   -2.9665    0.0000 N   0  0
    1.8032   -3.1233    0.0000 C   0  0
    2.4133   -1.7530    0.0000 C   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 N   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -2.6003    1.4977    0.0000 N   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2003    1.4932    0.0000 C   0  0
   -6.4990    0.7409    0.0000 C   0  0
   -7.7996    1.4882    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 N   0  0
    0.0000   -1.5000    0.0000 C   0  0
    3.8813   -1.4408    0.0000 C   0  0
    4.9619   -2.4739    0.0000 C   0  0
    6.4015   -2.0524    0.0000 C   0  0
    6.7561   -0.5949    0.0000 C   0  0
    5.6713    0.4410    0.0000 C   0  0
    4.2318    0.0194    0.0000 C   0  0
    8.1956   -0.1702    0.0000 C   0  0
    8.5484    1.2886    0.0000 N   0  0
    9.9865    1.7152    0.0000 C   0  0
   10.3362    3.1739    0.0000 C   0  0
    9.2477    4.2061    0.0000 N   0  0
    9.5974    5.6647    0.0000 C   0  0
    7.8097    3.7795    0.0000 C   0  0
    7.4600    2.3209    0.0000 C   0  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9  4  1  0
  7 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 20 21  1  0
 16 22  1  0
 22 23  2  0
 23 13  1  0
 23 10  1  0
 12 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  0
 29 24  1  0
 27 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37 31  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14036

> <plate>
PLATE 005

> <well>
B6

> <supplier_cmpd_name>
UNC2025 2HCl (1429881-91-3(free base))

> <ctcr_id>
12405

> <supplier_cmpd_id>
T4419

> <smiles>
Cl.Cl.OC1CCC(CC1)n3cc(c2cnc(NCCCC)nc23)c4ccc(cc4)CN5CCN(C)CC5

> <pd_targets>
{NTRK1,SLK,MERTK,TYRO3,SIK2,KIT,FLT3,AXL,NTRK3,MET,NUAK1}

> <pathway_gtopdb>
{Enzyme,Kinase,"Protein Kinase","TK protein kinase group","STE protein kinase group","CAMK protein kinase group","Tyrosine protein kinase Trk family","STE protein kinase STE20 family","Tyrosine protei
n kinase Axl family","CAMK protein kinase CAMK1 family","Tyrosine protein kinase PDGFR family","Tyrosine protein kinase Met family","STE protein kinase SLK subfamily","CAMK protein kinase QIK subfamil
y","CAMK protein kinase NuaK 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","CAMK: Calcium/calmodulin-dependent protein kina
ses","TK: Tyrosine kinase","STE20 family","CAMK-like (CAMKL) family","Receptor tyrosine kinases (RTKs)","SLK subfamily","QIK subfamily","NuaK subfamily","Type VII RTKs: Neurotrophin receptor/Trk famil
y","Type XI RTKs: TAM (TYRO3-","AXL- and MER-TK) receptor family","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type X RTKs: HGF (hepatocyte growth factor) receptor family"}

> <pathway_reactome>
{"Signal Transduction",Hemostasis,Disease,"Developmental Biology","Gene expression (Transcription)","Signaling by Receptor Tyrosine Kinases","Cell surface interactions at the vascular wall","Diseases 
of signal transduction by growth factor receptors and second messengers","Nervous system development","RNA Polymerase II Transcription","Signaling by NTRKs","Signaling by KIT in disease","Signaling by
 Insulin receptor","Signaling by VEGF","Axon guidance","Generic Transcription Pathway","Signaling by NTRK1 (TRKA)","Drug resistance of KIT mutants","Insulin receptor signalling cascade","VEGFA-VEGFR2 
Pathway","Signaling by NTRK3 (TRKC)","Semaphorin interactions","Transcriptional Regulation by TP53","Signalling to ERKs","Dasatinib-resistant KIT mutants","IRS-mediated signalling","Activated NTRK3 si
gnals through PI3K","Sema4D in semaphorin signaling","Regulation of TP53 Activity","Prolonged ERK activation events","PI3K Cascade","Sema4D mediated inhibition of cell attachment and migration","Regul
ation of TP53 Activity through Phosphorylation","ARMS-mediated activation"}

> <broad_targets>
{FLT3,MERTK}

> <broad_moa>
{"FLT3 inhibitor","MER tyrosine kinase inhibitor"}

> <synonyms>
{T4419,"UNC2025 2HCl (1429881-91-3(free base))"}

> <pdid>
PD012984

> <targets>
{"TAM Receptor",FLT3,Mer,Flt3}

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

> <pubchem_cids>
{133640205}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 34 36  0  0  0  0            999 V2000
    2.5981   -1.5000    0.0000 Cl  0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
   -2.6003    1.4977    0.0000 C   0  0
   -3.8990    0.7455    0.0000 C   0  0
   -5.2007    1.4909    0.0000 C   0  0
   -6.4972    0.7364    0.0000 C   0  0
   -6.4920   -0.7636    0.0000 C   0  0
   -5.1903   -1.5091    0.0000 C   0  0
   -3.8939   -0.7546    0.0000 C   0  0
   -7.7876   -1.5212    0.0000 N   0  0
   -7.7802   -3.0220    0.0000 C   0  0
   -9.0758   -3.7796    0.0000 C   0  0
   -9.0685   -5.2795    0.0000 O   0  0
   -9.0927   -0.7802    0.0000 C   0  0
  -10.3875   -1.5392    0.0000 C   0  0
  -11.6919   -0.7987    0.0000 O   0  0
   -2.6030    2.9985    0.0000 C   0  0
   -3.9023    3.7481    0.0000 C   0  0
   -3.9029    5.2481    0.0000 C   0  0
   -2.6041    5.9986    0.0000 C   0  0
   -1.3048    5.2491    0.0000 C   0  0
   -1.3042    3.7491    0.0000 C   0  0
   -2.6016    7.4994    0.0000 N   0  0
   -1.3011    8.2485    0.0000 C   0  0
   -1.2986    9.7493    0.0000 C   0  0
    0.0013   10.4980    0.0000 O   0  0
   -3.8988    8.2543    0.0000 C   0  0
   -3.8946    9.7551    0.0000 C   0  0
   -5.1911   10.5096    0.0000 O   0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  2  1  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 15 19  1  0
 19 20  1  0
 20 21  1  0
  8 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 25 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 28 32  1  0
 32 33  1  0
 33 34  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14037

> <plate>
PLATE 005

> <well>
B7

> <supplier_cmpd_name>
LM22B-10

> <ctcr_id>
12696

> <supplier_cmpd_id>
T4496

> <smiles>
Clc1ccc(cc1)C(c2ccc(cc2)N(CCO)CCO)c3ccc(cc3)N(CCO)CCO

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{M22B1,LM22B-10,LM22B10,342777-54-2,342777542,CBMicro_004706,CBMicro004706,CBMicro-004706,"CBMicro 004706",SCHEMBL2759083,AMY23743,BCP30139,EX-A3174,EXA3174,"LM22B 10",SMSF0003215,ZINC3877389,s6760,ZB
0041,AKOS032963644,CB07009,CS-7663,CS7663,MCULE-7033518809,MCULE7033518809,AS-74990,AS74990,BIM-0004729.P001,BIM0004729.P001,HY-104047,HY104047,AK00792418,4,4'-(4-Chlorobenzylidene,4'(4Chlorobenzylide
ne,T4496}

> <pdid>
PD086393

> <targets>
{TrkB,TrkC,Akt,ERK,Trk Receptor}

> <classes>
{Tyrosine Kinase/Adaptors,MAPK/ERK Pathway,Neuronal Signaling,PI3K/Akt/mTOR,Protein Tyrosine Kinase/RTK,Stem Cell/Wnt}

> <pubchem_cids>
{542158}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 46 49  0  0  0  0            999 V2000
    0.0007    0.0004    0.0000 C   0  0
    1.3000    0.7500    0.0000 C   0  0
    2.6000    0.0000    0.0000 S   0  0
    3.8993    0.7496    0.0000 O   0  0
    2.6000   -1.5000    0.0000 O   0  0
    3.8989   -0.7502    0.0000 O   0  0
   13.5383   -9.6970    0.0000 C   0  0
   14.5460   -8.5859    0.0000 N   0  0
   16.0121   -8.9030    0.0000 C   0  0
   17.0198   -7.7920    0.0000 C   0  0
   16.5615   -6.3637    0.0000 N   0  0
   15.0953   -6.0465    0.0000 C   0  0
   14.0876   -7.1576    0.0000 C   0  0
   17.5675   -5.2499    0.0000 C   0  0
   17.1069   -3.8215    0.0000 C   0  0
   15.6403   -3.5069    0.0000 O   0  0
   18.1129   -2.7078    0.0000 N   0  0
   19.5795   -3.0224    0.0000 C   0  0
   17.6523   -1.2794    0.0000 C   0  0
   18.6561   -0.1648    0.0000 C   0  0
   18.1928    1.2619    0.0000 C   0  0
   16.7256    1.5740    0.0000 C   0  0
   15.7218    0.4594    0.0000 C   0  0
   16.1851   -0.9673    0.0000 C   0  0
   16.2592    3.0005    0.0000 N   0  0
   14.7908    3.3107    0.0000 C   0  0
   14.3251    4.7348    0.0000 C   0  0
   12.8993    5.1983    0.0000 C   0  0
   12.8993    6.6983    0.0000 C   0  0
   11.6003    7.4483    0.0000 C   0  0
   10.3013    6.6983    0.0000 C   0  0
   10.3013    5.1983    0.0000 C   0  0
   11.6003    4.4483    0.0000 C   0  0
    8.9999    7.4460    0.0000 C   0  0
    8.9973    8.9460    0.0000 O   0  0
    7.7013    6.6938    0.0000 O   0  0
    6.4007    7.4411    0.0000 C   0  0
   14.3251    7.1618    0.0000 N   0  0
   15.2067    5.9483    0.0000 C   0  0
   16.7067    5.9483    0.0000 O   0  0
   13.7883    2.1939    0.0000 C   0  0
   12.3201    2.5014    0.0000 C   0  0
   11.3197    1.3837    0.0000 C   0  0
   11.7874   -0.0415    0.0000 C   0  0
   13.2555   -0.3491    0.0000 C   0  0
   14.2559    0.7686    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  2  0
  3  6  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13  8  1  0
 11 14  1  0
 14 15  1  0
 15 16  2  0
 15 17  1  0
 17 18  1  0
 17 19  1  0
 19 20  2  3
 20 21  1  0
 21 22  2  3
 22 23  1  0
 23 24  2  3
 24 19  1  0
 22 25  1  0
 25 26  1  0
 26 27  2  0
 27 28  1  0
 28 29  2  3
 29 30  1  0
 30 31  2  3
 31 32  1  0
 32 33  2  3
 33 28  1  0
 31 34  1  0
 34 35  2  0
 34 36  1  0
 36 37  1  0
 29 38  1  0
 38 39  1  0
 39 27  1  0
 39 40  2  0
 26 41  1  0
 41 42  2  3
 42 43  1  0
 43 44  2  3
 44 45  1  0
 45 46  2  3
 46 41  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14038

> <plate>
PLATE 005

> <well>
B8

> <supplier_cmpd_name>
Nintedanib Ethanesulfonate Salt

> <ctcr_id>
11396

> <supplier_cmpd_id>
T5001

> <smiles>
CCS(=O)(=O)O.CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N/C(=C\3/C4=C(C=C(C=C4)C(=O)OC)NC3=O)/C5=CC=CC=C5

> <pd_targets>
.

> <pathway_gtopdb>
.

> <pathway_chembl>
.

> <pathway_reactome>
.

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

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

> <synonyms>
{"Nintedanib esylate",656247-18-6,656247186,"BIBF 1120 esylate","Nintedanib Ethanesulfonate Salt","Nintedanib ethanesulfonate",UNII-42F62RTZ4G,UNII42F62RTZ4G,"656247-18-6 (esylate)","656247186 (esylat
e)",OFEV,42F62RTZ4G,CHEBI:85170,"BIBF 1120 (esylate)","Nintedanib Esilate",SCHEMBL,T5001}

> <pdid>
PD003643

> <targets>
{VEGFR,FGFR,PDGFR,VEGFR1/2/3,FGFR1/2/3,PDGFR¦Á/¦Â}

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

> <pubchem_cids>
{135476717}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 35 37  0  0  0  0            999 V2000
    1.3000    2.2500    0.0000 C   0  0
    1.3000    0.7500    0.0000 S   0  0
    0.0007    0.0004    0.0000 O   0  0
    2.5993    0.0004    0.0000 O   0  0
    1.3000   -0.7500    0.0000 O   0  0
   11.5904    0.3824    0.0000 O   0  0
   12.8907    1.1301    0.0000 C   0  0
   12.8928    2.6309    0.0000 N   0  0
   11.5946    3.3840    0.0000 C   0  0
   11.5946    4.8840    0.0000 C   0  0
   10.2956    5.6340    0.0000 C   0  0
    8.9965    4.8840    0.0000 C   0  0
    8.9965    3.3840    0.0000 C   0  0
   10.2956    2.6340    0.0000 C   0  0
    7.6963    5.6345    0.0000 C   0  0
    8.9090    6.4540    0.0000 C   0  0
    8.4439    7.8801    0.0000 C   0  0
    6.9439    7.8784    0.0000 C   0  0
    6.4819    6.4513    0.0000 C   0  0
    6.3982    4.8813    0.0000 C   0  0
    5.1007    4.1286    0.0000 N   0  0
   14.1889    0.3770    0.0000 C   0  0
   15.4881    1.1270    0.0000 C   0  0
   16.7871    0.3769    0.0000 C   0  0
   16.7870   -1.1231    0.0000 C   0  0
   15.4880   -1.8730    0.0000 N   0  0
   14.1890   -1.1230    0.0000 C   0  0
   12.8908   -1.8761    0.0000 N   0  0
   12.8929   -3.3769    0.0000 C   0  0
   11.5947   -4.1300    0.0000 C   0  0
   11.5947   -5.6301    0.0000 C   0  0
   10.2957   -6.3801    0.0000 C   0  0
    8.9966   -5.6301    0.0000 N   0  0
    8.9965   -4.1301    0.0000 C   0  0
   10.2956   -3.3801    0.0000 C   0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14  9  1  0
 12 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 19 15  1  0
 15 20  1  0
 20 21  3  0
  7 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  2  0
 25 26  1  0
 26 27  2  0
 27 22  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 32 33  2  0
 33 34  1  0
 34 35  2  0
 35 30  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14039

> <plate>
PLATE 005

> <well>
B9

> <supplier_cmpd_name>
Apatinib mesylate

> <ctcr_id>
4550

> <supplier_cmpd_id>
T5153

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

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

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

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

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

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

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

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

> <pdid>
PD057121

> <targets>
{VEGFR,c-RET}

> <classes>
{"Protein Tyrosine Kinase"}

> <pubchem_cids>
{45139106}

$$$$
TargetMol_L2200_Tyrosine kinase inhibitor library
  SciTegic11012413002D

 37 41  0  0  0  0            999 V2000
    3.8912   -5.2570    0.0000 C   0  0
    3.8933   -3.7570    0.0000 C   0  0
    2.5951   -3.0039    0.0000 N   0  0
    1.2948   -3.7516    0.0000 C   0  0
    2.5973   -1.5031    0.0000 C   0  0
    3.8976   -0.7553    0.0000 O   0  0
    1.2990   -0.7500    0.0000 C   0  0
    1.2990    0.7500    0.0000 C   0  0
    0.0000    1.5000    0.0000 C   0  0
   -1.2990    0.7500    0.0000 C   0  0
   -1.2990   -0.7500    0.0000 C   0  0
   -2.7248   -1.2135    0.0000 N   0  0
   -3.6065    0.0000    0.0000 C   0  0
   -5.1065    0.0000    0.0000 O   0  0
   -2.7248    1.2135    0.0000 C   0  0
   -3.1905    2.6376    0.0000 C   0  0
   -4.6589    2.9478    0.0000 N   0  0
   -5.1253    4.3743    0.0000 C   0  0
   -6.5925    4.6865    0.0000 C   0  0
   -7.0558    6.1131    0.0000 C   0  0
   -6.0520    7.2277    0.0000 C   0  0
   -6.5126    8.6561    0.0000 C   0  0
   -5.5066    9.7698    0.0000 N   0  0
   -5.9649   11.1981    0.0000 C   0  0
   -4.9571   12.3092    0.0000 C   0  0
   -3.4911   11.9920    0.0000 C   0  0
   -3.0327   10.5638    0.0000 C   0  0
   -4.0404    9.4527    0.0000 C   0  0
   -4.5848    6.9156    0.0000 C   0  0
   -4.1215    5.4889    0.0000 C   0  0
   -2.1880    3.7544    0.0000 C   0  0
   -2.6517    5.1810    0.0000 C   0  0
   -1.6483    6.2959    0.0000 C   0  0
   -0.1810    5.9844    0.0000 C   0  0
    0.2828    4.5579    0.0000 C   0  0
   -0.7206    3.4429    0.0000 C   0  0
    0.0000   -1.5000    0.0000 C   0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 15 10  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 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
 16 31  1  0
 31 32  2  0
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 36 31  1  0
 11 37  2  0
 37  7  1  0
M  END
> <name>
TargetMol_L2200_Tyrosine kinase inhibitor library

> <id>
14040

> <plate>
PLATE 005

> <well>
B10

> <supplier_cmpd_name>
BIBF0775

> <ctcr_id>
12802

> <supplier_cmpd_id>
T5197

> <smiles>
CCN(C)C(=O)c1ccc2c(NC(=O)\C2=C(/Nc2ccc(CN3CCCCC3)cc2)c2ccccc2)c1

> <pd_targets>
{TGFBR2,TGFBR1,PDGFRA,ALK,KDR}

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

> <pathway_chembl>
{Receptors,"Catalytic receptors","Receptor kinases","TKL: Tyrosine kinase-like","TK: Tyrosine kinase","Receptor serine/threonine kinase (RSTK) family","Receptor tyrosine kinases (RTKs)","Type II recep
tor serine/threonine kinases","Type I receptor serine/threonine kinases","Type III RTKs: PDGFR",CSFR,Kit,"FLT3 receptor family","Type XIX RTKs: Leukocyte tyrosine kinase (LTK) receptor family","Type I
V RTKs: VEGF (vascular endothelial growth factor) receptor family"}

> <pathway_reactome>
{Disease,"Signal Transduction","Diseases of signal transduction by growth factor receptors and second messengers","Signaling by Receptor Tyrosine Kinases","Signaling by TGF-beta Receptor Complex in Ca
ncer","Signaling by PDGFR in disease","Signaling by VEGF","Loss of Function of SMAD2/3 in Cancer","Drug resistance of PDGFR mutants","VEGFA-VEGFR2 Pathway","SMAD2/3 Phosphorylation Motif Mutants in Ca
ncer","Imatinib-resistant PDGFR mutants","VEGFR2 mediated cell proliferation"}

> <broad_targets>
.

> <broad_moa>
.

> <synonyms>
{Q27468028,BIBF0775,334951-90-5,334951905,SCHEMBL3151537,SCHEMBL3151544,BIBF-0775,BCP30371,EX-A3228,EXA3228,s2234,"BIBF-0775; BIBF 0775","BIBF0775; BIBF 0775",AC-31388,AC31388,BS-16590,BS16590,HY-1378
3,HY13783,AK01050346,CS-0007863,CS0007863,1333112-80-3,1333112803,T5197}

> <pdid>
PD082502

> <targets>
{TGF¦ÂR1(ALK5)}

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

> <pubchem_cids>
{135837779}

$$$$
