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PubMed code 20148563

Compile data set for download or QSAR
Found 42 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50307879
PNG
(CHEMBL602123 | N-(2,3,4-trifluoro-5-(2-oxo-2,3-dih...)
Show SMILES Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F
Show InChI InChI=1S/C21H11F6N3O4/c22-15-12(28-19(31)9-3-1-4-10(7-9)34-21(25,26)27)8-14(16(23)17(15)24)33-13-6-2-5-11-18(13)30-20(32)29-11/h1-8H,(H,28,31)(H2,29,30,32)
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n/an/a 3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of cRAF


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50307879
PNG
(CHEMBL602123 | N-(2,3,4-trifluoro-5-(2-oxo-2,3-dih...)
Show SMILES Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F
Show InChI InChI=1S/C21H11F6N3O4/c22-15-12(28-19(31)9-3-1-4-10(7-9)34-21(25,26)27)8-14(16(23)17(15)24)33-13-6-2-5-11-18(13)30-20(32)29-11/h1-8H,(H,28,31)(H2,29,30,32)
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n/an/a 42n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of wild type BRAF


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50307880
PNG
(CHEMBL598626 | N-(3-tert-butyl-1-phenyl-1H-pyrazol...)
Show SMILES CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H25N5O3/c1-27(2,3)22-16-23(32(31-22)18-10-5-4-6-11-18)29-25(33)17-9-7-12-19(15-17)35-21-14-8-13-20-24(21)30-26(34)28-20/h4-16H,1-3H3,(H,29,33)(H2,28,30,34)
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n/an/a 126n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of cRAF


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50307878
PNG
(1-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H26N6O3/c1-27(2,3)22-16-23(33(32-22)18-10-5-4-6-11-18)30-25(34)28-17-9-7-12-19(15-17)36-21-14-8-13-20-24(21)31-26(35)29-20/h4-16H,1-3H3,(H2,28,30,34)(H2,29,31,35)
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n/an/a 152n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50307878
PNG
(1-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H26N6O3/c1-27(2,3)22-16-23(33(32-22)18-10-5-4-6-11-18)30-25(34)28-17-9-7-12-19(15-17)36-21-14-8-13-20-24(21)31-26(35)29-20/h4-16H,1-3H3,(H2,28,30,34)(H2,29,31,35)
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n/an/a 196n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50307878
PNG
(1-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H26N6O3/c1-27(2,3)22-16-23(33(32-22)18-10-5-4-6-11-18)30-25(34)28-17-9-7-12-19(15-17)36-21-14-8-13-20-24(21)31-26(35)29-20/h4-16H,1-3H3,(H2,28,30,34)(H2,29,31,35)
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n/an/a 198n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of cRAF


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50307879
PNG
(CHEMBL602123 | N-(2,3,4-trifluoro-5-(2-oxo-2,3-dih...)
Show SMILES Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F
Show InChI InChI=1S/C21H11F6N3O4/c22-15-12(28-19(31)9-3-1-4-10(7-9)34-21(25,26)27)8-14(16(23)17(15)24)33-13-6-2-5-11-18(13)30-20(32)29-11/h1-8H,(H,28,31)(H2,29,30,32)
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n/an/a 200n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307880
PNG
(CHEMBL598626 | N-(3-tert-butyl-1-phenyl-1H-pyrazol...)
Show SMILES CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H25N5O3/c1-27(2,3)22-16-23(32(31-22)18-10-5-4-6-11-18)29-25(33)17-9-7-12-19(15-17)35-21-14-8-13-20-24(21)30-26(34)28-20/h4-16H,1-3H3,(H,29,33)(H2,28,30,34)
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n/an/a 202n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of RET


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50307879
PNG
(CHEMBL602123 | N-(2,3,4-trifluoro-5-(2-oxo-2,3-dih...)
Show SMILES Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F
Show InChI InChI=1S/C21H11F6N3O4/c22-15-12(28-19(31)9-3-1-4-10(7-9)34-21(25,26)27)8-14(16(23)17(15)24)33-13-6-2-5-11-18(13)30-20(32)29-11/h1-8H,(H,28,31)(H2,29,30,32)
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n/an/a 216n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307879
PNG
(CHEMBL602123 | N-(2,3,4-trifluoro-5-(2-oxo-2,3-dih...)
Show SMILES Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F
Show InChI InChI=1S/C21H11F6N3O4/c22-15-12(28-19(31)9-3-1-4-10(7-9)34-21(25,26)27)8-14(16(23)17(15)24)33-13-6-2-5-11-18(13)30-20(32)29-11/h1-8H,(H,28,31)(H2,29,30,32)
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n/an/a 237n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of RET


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50307878
PNG
(1-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H26N6O3/c1-27(2,3)22-16-23(33(32-22)18-10-5-4-6-11-18)30-25(34)28-17-9-7-12-19(15-17)36-21-14-8-13-20-24(21)31-26(35)29-20/h4-16H,1-3H3,(H2,28,30,34)(H2,29,31,35)
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n/an/a 584n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50307879
PNG
(CHEMBL602123 | N-(2,3,4-trifluoro-5-(2-oxo-2,3-dih...)
Show SMILES Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F
Show InChI InChI=1S/C21H11F6N3O4/c22-15-12(28-19(31)9-3-1-4-10(7-9)34-21(25,26)27)8-14(16(23)17(15)24)33-13-6-2-5-11-18(13)30-20(32)29-11/h1-8H,(H,28,31)(H2,29,30,32)
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n/an/a 608n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50307878
PNG
(1-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H26N6O3/c1-27(2,3)22-16-23(33(32-22)18-10-5-4-6-11-18)30-25(34)28-17-9-7-12-19(15-17)36-21-14-8-13-20-24(21)31-26(35)29-20/h4-16H,1-3H3,(H2,28,30,34)(H2,29,31,35)
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n/an/a 698n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of RET


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50307880
PNG
(CHEMBL598626 | N-(3-tert-butyl-1-phenyl-1H-pyrazol...)
Show SMILES CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H25N5O3/c1-27(2,3)22-16-23(32(31-22)18-10-5-4-6-11-18)29-25(33)17-9-7-12-19(15-17)35-21-14-8-13-20-24(21)30-26(34)28-20/h4-16H,1-3H3,(H,29,33)(H2,28,30,34)
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n/an/a 883n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50307880
PNG
(CHEMBL598626 | N-(3-tert-butyl-1-phenyl-1H-pyrazol...)
Show SMILES CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H25N5O3/c1-27(2,3)22-16-23(32(31-22)18-10-5-4-6-11-18)29-25(33)17-9-7-12-19(15-17)35-21-14-8-13-20-24(21)30-26(34)28-20/h4-16H,1-3H3,(H,29,33)(H2,28,30,34)
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n/an/a 1.09E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of wild type BRAF


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50307878
PNG
(1-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H26N6O3/c1-27(2,3)22-16-23(33(32-22)18-10-5-4-6-11-18)30-25(34)28-17-9-7-12-19(15-17)36-21-14-8-13-20-24(21)31-26(35)29-20/h4-16H,1-3H3,(H2,28,30,34)(H2,29,31,35)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KIT


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50307880
PNG
(CHEMBL598626 | N-(3-tert-butyl-1-phenyl-1H-pyrazol...)
Show SMILES CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H25N5O3/c1-27(2,3)22-16-23(32(31-22)18-10-5-4-6-11-18)29-25(33)17-9-7-12-19(15-17)35-21-14-8-13-20-24(21)30-26(34)28-20/h4-16H,1-3H3,(H,29,33)(H2,28,30,34)
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n/an/a 1.37E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50307880
PNG
(CHEMBL598626 | N-(3-tert-butyl-1-phenyl-1H-pyrazol...)
Show SMILES CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H25N5O3/c1-27(2,3)22-16-23(32(31-22)18-10-5-4-6-11-18)29-25(33)17-9-7-12-19(15-17)35-21-14-8-13-20-24(21)30-26(34)28-20/h4-16H,1-3H3,(H,29,33)(H2,28,30,34)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50307878
PNG
(1-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H26N6O3/c1-27(2,3)22-16-23(33(32-22)18-10-5-4-6-11-18)30-25(34)28-17-9-7-12-19(15-17)36-21-14-8-13-20-24(21)31-26(35)29-20/h4-16H,1-3H3,(H2,28,30,34)(H2,29,31,35)
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n/an/a 1.53E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of FLT1


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50307878
PNG
(1-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H26N6O3/c1-27(2,3)22-16-23(33(32-22)18-10-5-4-6-11-18)30-25(34)28-17-9-7-12-19(15-17)36-21-14-8-13-20-24(21)31-26(35)29-20/h4-16H,1-3H3,(H2,28,30,34)(H2,29,31,35)
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n/an/a 1.55E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM50307878
PNG
(1-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H26N6O3/c1-27(2,3)22-16-23(33(32-22)18-10-5-4-6-11-18)30-25(34)28-17-9-7-12-19(15-17)36-21-14-8-13-20-24(21)31-26(35)29-20/h4-16H,1-3H3,(H2,28,30,34)(H2,29,31,35)
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n/an/a 1.81E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of p38gamma MAPK


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50307878
PNG
(1-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H26N6O3/c1-27(2,3)22-16-23(33(32-22)18-10-5-4-6-11-18)30-25(34)28-17-9-7-12-19(15-17)36-21-14-8-13-20-24(21)31-26(35)29-20/h4-16H,1-3H3,(H2,28,30,34)(H2,29,31,35)
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n/an/a 1.84E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50307879
PNG
(CHEMBL602123 | N-(2,3,4-trifluoro-5-(2-oxo-2,3-dih...)
Show SMILES Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F
Show InChI InChI=1S/C21H11F6N3O4/c22-15-12(28-19(31)9-3-1-4-10(7-9)34-21(25,26)27)8-14(16(23)17(15)24)33-13-6-2-5-11-18(13)30-20(32)29-11/h1-8H,(H,28,31)(H2,29,30,32)
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n/an/a 2.17E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50307879
PNG
(CHEMBL602123 | N-(2,3,4-trifluoro-5-(2-oxo-2,3-dih...)
Show SMILES Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F
Show InChI InChI=1S/C21H11F6N3O4/c22-15-12(28-19(31)9-3-1-4-10(7-9)34-21(25,26)27)8-14(16(23)17(15)24)33-13-6-2-5-11-18(13)30-20(32)29-11/h1-8H,(H,28,31)(H2,29,30,32)
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n/an/a 2.39E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
RAF serine/threonine protein kinase


(Homo sapiens (Human))
BDBM50307878
PNG
(1-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H26N6O3/c1-27(2,3)22-16-23(33(32-22)18-10-5-4-6-11-18)30-25(34)28-17-9-7-12-19(15-17)36-21-14-8-13-20-24(21)31-26(35)29-20/h4-16H,1-3H3,(H2,28,30,34)(H2,29,31,35)
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n/an/a 3.14E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of wild type BRAF


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50307880
PNG
(CHEMBL598626 | N-(3-tert-butyl-1-phenyl-1H-pyrazol...)
Show SMILES CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H25N5O3/c1-27(2,3)22-16-23(32(31-22)18-10-5-4-6-11-18)29-25(33)17-9-7-12-19(15-17)35-21-14-8-13-20-24(21)30-26(34)28-20/h4-16H,1-3H3,(H,29,33)(H2,28,30,34)
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n/an/a 4.16E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of FLT1


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50307880
PNG
(CHEMBL598626 | N-(3-tert-butyl-1-phenyl-1H-pyrazol...)
Show SMILES CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H25N5O3/c1-27(2,3)22-16-23(32(31-22)18-10-5-4-6-11-18)29-25(33)17-9-7-12-19(15-17)35-21-14-8-13-20-24(21)30-26(34)28-20/h4-16H,1-3H3,(H,29,33)(H2,28,30,34)
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n/an/a 4.25E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50307879
PNG
(CHEMBL602123 | N-(2,3,4-trifluoro-5-(2-oxo-2,3-dih...)
Show SMILES Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F
Show InChI InChI=1S/C21H11F6N3O4/c22-15-12(28-19(31)9-3-1-4-10(7-9)34-21(25,26)27)8-14(16(23)17(15)24)33-13-6-2-5-11-18(13)30-20(32)29-11/h1-8H,(H,28,31)(H2,29,30,32)
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n/an/a 4.84E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of FLT1


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50307879
PNG
(CHEMBL602123 | N-(2,3,4-trifluoro-5-(2-oxo-2,3-dih...)
Show SMILES Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F
Show InChI InChI=1S/C21H11F6N3O4/c22-15-12(28-19(31)9-3-1-4-10(7-9)34-21(25,26)27)8-14(16(23)17(15)24)33-13-6-2-5-11-18(13)30-20(32)29-11/h1-8H,(H,28,31)(H2,29,30,32)
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n/an/a 5.02E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50307880
PNG
(CHEMBL598626 | N-(3-tert-butyl-1-phenyl-1H-pyrazol...)
Show SMILES CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H25N5O3/c1-27(2,3)22-16-23(32(31-22)18-10-5-4-6-11-18)29-25(33)17-9-7-12-19(15-17)35-21-14-8-13-20-24(21)30-26(34)28-20/h4-16H,1-3H3,(H,29,33)(H2,28,30,34)
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n/an/a 7.49E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50307880
PNG
(CHEMBL598626 | N-(3-tert-butyl-1-phenyl-1H-pyrazol...)
Show SMILES CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H25N5O3/c1-27(2,3)22-16-23(32(31-22)18-10-5-4-6-11-18)29-25(33)17-9-7-12-19(15-17)35-21-14-8-13-20-24(21)30-26(34)28-20/h4-16H,1-3H3,(H,29,33)(H2,28,30,34)
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n/an/a 9.71E+3n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of PDGFRalpha


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50307878
PNG
(1-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H26N6O3/c1-27(2,3)22-16-23(33(32-22)18-10-5-4-6-11-18)30-25(34)28-17-9-7-12-19(15-17)36-21-14-8-13-20-24(21)31-26(35)29-20/h4-16H,1-3H3,(H2,28,30,34)(H2,29,31,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of MET


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50307880
PNG
(CHEMBL598626 | N-(3-tert-butyl-1-phenyl-1H-pyrazol...)
Show SMILES CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H25N5O3/c1-27(2,3)22-16-23(32(31-22)18-10-5-4-6-11-18)29-25(33)17-9-7-12-19(15-17)35-21-14-8-13-20-24(21)30-26(34)28-20/h4-16H,1-3H3,(H,29,33)(H2,28,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of LCK


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50307878
PNG
(1-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H26N6O3/c1-27(2,3)22-16-23(33(32-22)18-10-5-4-6-11-18)30-25(34)28-17-9-7-12-19(15-17)36-21-14-8-13-20-24(21)31-26(35)29-20/h4-16H,1-3H3,(H2,28,30,34)(H2,29,31,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50307880
PNG
(CHEMBL598626 | N-(3-tert-butyl-1-phenyl-1H-pyrazol...)
Show SMILES CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H25N5O3/c1-27(2,3)22-16-23(32(31-22)18-10-5-4-6-11-18)29-25(33)17-9-7-12-19(15-17)35-21-14-8-13-20-24(21)30-26(34)28-20/h4-16H,1-3H3,(H,29,33)(H2,28,30,34)
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of MET


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50307879
PNG
(CHEMBL602123 | N-(2,3,4-trifluoro-5-(2-oxo-2,3-dih...)
Show SMILES Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F
Show InChI InChI=1S/C21H11F6N3O4/c22-15-12(28-19(31)9-3-1-4-10(7-9)34-21(25,26)27)8-14(16(23)17(15)24)33-13-6-2-5-11-18(13)30-20(32)29-11/h1-8H,(H,28,31)(H2,29,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of COT


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM50307880
PNG
(CHEMBL598626 | N-(3-tert-butyl-1-phenyl-1H-pyrazol...)
Show SMILES CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H25N5O3/c1-27(2,3)22-16-23(32(31-22)18-10-5-4-6-11-18)29-25(33)17-9-7-12-19(15-17)35-21-14-8-13-20-24(21)30-26(34)28-20/h4-16H,1-3H3,(H,29,33)(H2,28,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of p38gamma MAPK


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50307879
PNG
(CHEMBL602123 | N-(2,3,4-trifluoro-5-(2-oxo-2,3-dih...)
Show SMILES Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F
Show InChI InChI=1S/C21H11F6N3O4/c22-15-12(28-19(31)9-3-1-4-10(7-9)34-21(25,26)27)8-14(16(23)17(15)24)33-13-6-2-5-11-18(13)30-20(32)29-11/h1-8H,(H,28,31)(H2,29,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50307879
PNG
(CHEMBL602123 | N-(2,3,4-trifluoro-5-(2-oxo-2,3-dih...)
Show SMILES Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F
Show InChI InChI=1S/C21H11F6N3O4/c22-15-12(28-19(31)9-3-1-4-10(7-9)34-21(25,26)27)8-14(16(23)17(15)24)33-13-6-2-5-11-18(13)30-20(32)29-11/h1-8H,(H,28,31)(H2,29,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of MET


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
p38 delta/gamma


(Homo sapiens (Human))
BDBM50307879
PNG
(CHEMBL602123 | N-(2,3,4-trifluoro-5-(2-oxo-2,3-dih...)
Show SMILES Fc1c(NC(=O)c2cccc(OC(F)(F)F)c2)cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c1F
Show InChI InChI=1S/C21H11F6N3O4/c22-15-12(28-19(31)9-3-1-4-10(7-9)34-21(25,26)27)8-14(16(23)17(15)24)33-13-6-2-5-11-18(13)30-20(32)29-11/h1-8H,(H,28,31)(H2,29,30,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of p38gamma MAPK


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50307880
PNG
(CHEMBL598626 | N-(3-tert-butyl-1-phenyl-1H-pyrazol...)
Show SMILES CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H25N5O3/c1-27(2,3)22-16-23(32(31-22)18-10-5-4-6-11-18)29-25(33)17-9-7-12-19(15-17)35-21-14-8-13-20-24(21)30-26(34)28-20/h4-16H,1-3H3,(H,29,33)(H2,28,30,34)
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Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of COT


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50307878
PNG
(1-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(2-...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C27H26N6O3/c1-27(2,3)22-16-23(33(32-22)18-10-5-4-6-11-18)30-25(34)28-17-9-7-12-19(15-17)36-21-14-8-13-20-24(21)31-26(35)29-20/h4-16H,1-3H3,(H2,28,30,34)(H2,29,31,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of COT


J Med Chem 53: 1964-78 (2010)


Article DOI: 10.1021/jm901509a
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%