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PubMed code 18395443

Compile data set for download or QSAR
Found 37 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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50377356
PNG
(CHEMBL410686)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3F)c12)-c1nnc(C)o1
Show InChI InChI=1S/C20H19FN8O/c1-9(2)15-13(20-28-27-11(4)30-20)7-29-17(15)19(23-8-24-29)26-14-6-22-18-12(16(14)21)5-10(3)25-18/h5-9H,1-4H3,(H,22,25)(H,23,24,26)
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n/an/a 13n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
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))
BDBM50377361
PNG
(CHEMBL409673)
Show SMILES COC(=O)c1cn2ncnc(Nc3cnc4[nH]ccc4c3)c2c1C(C)C
Show InChI InChI=1S/C18H18N6O2/c1-10(2)14-13(18(25)26-3)8-24-15(14)17(21-9-22-24)23-12-6-11-4-5-19-16(11)20-7-12/h4-10H,1-3H3,(H,19,20)(H,21,22,23)
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n/an/a 17n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
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))
BDBM50377367
PNG
(CHEMBL256116)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3cnc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C18H18FN5O3/c1-9-4-12-15(19)13(5-20-17(12)23-9)27-18-16-11(3)14(26-7-10(2)25)6-24(16)22-8-21-18/h4-6,8,10,25H,7H2,1-3H3,(H,20,23)/t10-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
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))
BDBM50377352
PNG
(BMS-645737 | CHEMBL261592)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C20H20N8O/c1-10(2)16-15(20-27-26-12(4)29-20)8-28-17(16)19(22-9-23-28)25-14-6-13-5-11(3)24-18(13)21-7-14/h5-10H,1-4H3,(H,21,24)(H,22,23,25)
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
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))
BDBM50377353
PNG
(CHEMBL409442)
Show SMILES CNc1nnc(o1)-c1cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c2c1C(C)C
Show InChI InChI=1S/C20H21N9O/c1-10(2)15-14(19-27-28-20(21-4)30-19)8-29-16(15)18(23-9-24-29)26-13-6-12-5-11(3)25-17(12)22-7-13/h5-10H,1-4H3,(H,21,28)(H,22,25)(H,23,24,26)
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
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))
BDBM50184807
PNG
((R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-me...)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C
Show InChI InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
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))
BDBM50377366
PNG
(CHEMBL255902)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3cnc4[nH]ccc4c3F)c2c1C
Show InChI InChI=1S/C17H16FN5O3/c1-9(24)7-25-13-6-23-15(10(13)2)17(21-8-22-23)26-12-5-20-16-11(14(12)18)3-4-19-16/h3-6,8-9,24H,7H2,1-2H3,(H,19,20)/t9-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
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))
BDBM50377360
PNG
(CHEMBL412081)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]ccc4c3F)c12)-c1nc(C)no1
Show InChI InChI=1S/C19H17FN8O/c1-9(2)14-12(19-25-10(3)27-29-19)7-28-16(14)18(23-8-24-28)26-13-6-22-17-11(15(13)20)4-5-21-17/h4-9H,1-3H3,(H,21,22)(H,23,24,26)
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n/an/a 30n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
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))
BDBM50377357
PNG
(CHEMBL258694)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]ccc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C19H18N8O/c1-10(2)15-14(19-26-25-11(3)28-19)8-27-16(15)18(22-9-23-27)24-13-6-12-4-5-20-17(12)21-7-13/h4-10H,1-3H3,(H,20,21)(H,22,23,24)
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n/an/a 31n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
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))
BDBM50377355
PNG
(CHEMBL259951)
Show SMILES CCc1nnc(o1)-c1cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c2c1C(C)C
Show InChI InChI=1S/C21H22N8O/c1-5-16-27-28-21(30-16)15-9-29-18(17(15)11(2)3)20(23-10-24-29)26-14-7-13-6-12(4)25-19(13)22-8-14/h6-11H,5H2,1-4H3,(H,22,25)(H,23,24,26)
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n/an/a 36n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Mus musculus)
BDBM50377352
PNG
(BMS-645737 | CHEMBL261592)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C20H20N8O/c1-10(2)16-15(20-27-26-12(4)29-20)8-28-17(16)19(22-9-23-28)25-14-6-13-5-11(3)24-18(13)21-7-14/h5-10H,1-4H3,(H,21,24)(H,22,23,25)
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n/an/a 53n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of mouse Flk1


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50377357
PNG
(CHEMBL258694)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]ccc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C19H18N8O/c1-10(2)15-14(19-26-25-11(3)28-19)8-27-16(15)18(22-9-23-27)24-13-6-12-4-5-20-17(12)21-7-13/h4-10H,1-3H3,(H,20,21)(H,22,23,24)
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n/an/a 61n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50377352
PNG
(BMS-645737 | CHEMBL261592)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C20H20N8O/c1-10(2)16-15(20-27-26-12(4)29-20)8-28-17(16)19(22-9-23-28)25-14-6-13-5-11(3)24-18(13)21-7-14/h5-10H,1-4H3,(H,21,24)(H,22,23,25)
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n/an/a 78n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
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))
BDBM50377359
PNG
(CHEMBL264943)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]ccc4c3)c12)-c1nc(C)no1
Show InChI InChI=1S/C19H18N8O/c1-10(2)15-14(19-24-11(3)26-28-19)8-27-16(15)18(22-9-23-27)25-13-6-12-4-5-20-17(12)21-7-13/h4-10H,1-3H3,(H,20,21)(H,22,23,25)
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n/an/a 96n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
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))
BDBM50377358
PNG
(CHEMBL258695)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c12)-c1nc(C)no1
Show InChI InChI=1S/C20H20N8O/c1-10(2)16-15(20-25-12(4)27-29-20)8-28-17(16)19(22-9-23-28)26-14-6-13-5-11(3)24-18(13)21-7-14/h5-10H,1-4H3,(H,21,24)(H,22,23,26)
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n/an/a 113n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
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))
BDBM50377362
PNG
(CHEMBL412082)
Show SMILES COC(=O)c1cn2ncnc(Nc3cnc4[nH]ccc4c3)c2c1C
Show InChI InChI=1S/C16H14N6O2/c1-9-12(16(23)24-2)7-22-13(9)15(19-8-20-22)21-11-5-10-3-4-17-14(10)18-6-11/h3-8H,1-2H3,(H,17,18)(H,19,20,21)
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n/an/a 121n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
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))
BDBM50377365
PNG
(CHEMBL260199)
Show SMILES C[C@@H](O)COc1cn2ncnc(Oc3cnc4[nH]c(C)cc4c3)c2c1C
Show InChI InChI=1S/C18H19N5O3/c1-10-4-13-5-14(6-19-17(13)22-10)26-18-16-12(3)15(25-8-11(2)24)7-23(16)21-9-20-18/h4-7,9,11,24H,8H2,1-3H3,(H,19,22)/t11-/m1/s1
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n/an/a 122n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50377357
PNG
(CHEMBL258694)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]ccc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C19H18N8O/c1-10(2)15-14(19-26-25-11(3)28-19)8-27-16(15)18(22-9-23-27)24-13-6-12-4-5-20-17(12)21-7-13/h4-10H,1-3H3,(H,20,21)(H,22,23,24)
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n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
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))
BDBM50377354
PNG
(CHEMBL265431)
Show SMILES CSc1nnc(o1)-c1cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c2c1C(C)C
Show InChI InChI=1S/C20H20N8OS/c1-10(2)15-14(19-26-27-20(29-19)30-4)8-28-16(15)18(22-9-23-28)25-13-6-12-5-11(3)24-17(12)21-7-13/h5-10H,1-4H3,(H,21,24)(H,22,23,25)
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n/an/a 150n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
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))
BDBM50377363
PNG
(CHEMBL265191)
Show SMILES C[C@@H](O)COc1cn2ncnc(Nc3cnc4[nH]ccc4c3)c2c1C(C)C
Show InChI InChI=1S/C19H22N6O2/c1-11(2)16-15(27-9-12(3)26)8-25-17(16)19(22-10-23-25)24-14-6-13-4-5-20-18(13)21-7-14/h4-8,10-12,26H,9H2,1-3H3,(H,20,21)(H,22,23,24)/t12-/m1/s1
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n/an/a 165n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50377357
PNG
(CHEMBL258694)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]ccc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C19H18N8O/c1-10(2)15-14(19-26-25-11(3)28-19)8-27-16(15)18(22-9-23-27)24-13-6-12-4-5-20-17(12)21-7-13/h4-10H,1-3H3,(H,20,21)(H,22,23,24)
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n/an/a 185n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
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))
BDBM50377364
PNG
(CHEMBL259996)
Show SMILES C[C@@H](O)COc1cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c2c1C
Show InChI InChI=1S/C18H20N6O2/c1-10-4-13-5-14(6-19-17(13)22-10)23-18-16-12(3)15(26-8-11(2)25)7-24(16)21-9-20-18/h4-7,9,11,25H,8H2,1-3H3,(H,19,22)(H,20,21,23)/t11-/m1/s1
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n/an/a 223n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50377352
PNG
(BMS-645737 | CHEMBL261592)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C20H20N8O/c1-10(2)16-15(20-27-26-12(4)29-20)8-28-17(16)19(22-9-23-28)25-14-6-13-5-11(3)24-18(13)21-7-14/h5-10H,1-4H3,(H,21,24)(H,22,23,25)
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n/an/a 268n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of VEGFR1


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50377357
PNG
(CHEMBL258694)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]ccc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C19H18N8O/c1-10(2)15-14(19-26-25-11(3)28-19)8-27-16(15)18(22-9-23-27)24-13-6-12-4-5-20-17(12)21-7-13/h4-10H,1-3H3,(H,20,21)(H,22,23,24)
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n/an/a 389n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50377357
PNG
(CHEMBL258694)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]ccc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C19H18N8O/c1-10(2)15-14(19-26-25-11(3)28-19)8-27-16(15)18(22-9-23-27)24-13-6-12-4-5-20-17(12)21-7-13/h4-10H,1-3H3,(H,20,21)(H,22,23,24)
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n/an/a 500n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HER2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50377352
PNG
(BMS-645737 | CHEMBL261592)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C20H20N8O/c1-10(2)16-15(20-27-26-12(4)29-20)8-28-17(16)19(22-9-23-28)25-14-6-13-5-11(3)24-18(13)21-7-14/h5-10H,1-4H3,(H,21,24)(H,22,23,25)
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n/an/a>1.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of EGFR


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50377352
PNG
(BMS-645737 | CHEMBL261592)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C20H20N8O/c1-10(2)16-15(20-27-26-12(4)29-20)8-28-17(16)19(22-9-23-28)25-14-6-13-5-11(3)24-18(13)21-7-14/h5-10H,1-4H3,(H,21,24)(H,22,23,25)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PDGFRbeta


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50377352
PNG
(BMS-645737 | CHEMBL261592)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C20H20N8O/c1-10(2)16-15(20-27-26-12(4)29-20)8-28-17(16)19(22-9-23-28)25-14-6-13-5-11(3)24-18(13)21-7-14/h5-10H,1-4H3,(H,21,24)(H,22,23,25)
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n/an/a>2.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50377352
PNG
(BMS-645737 | CHEMBL261592)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C20H20N8O/c1-10(2)16-15(20-27-26-12(4)29-20)8-28-17(16)19(22-9-23-28)25-14-6-13-5-11(3)24-18(13)21-7-14/h5-10H,1-4H3,(H,21,24)(H,22,23,25)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of HER2


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50377353
PNG
(CHEMBL409442)
Show SMILES CNc1nnc(o1)-c1cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c2c1C(C)C
Show InChI InChI=1S/C20H21N9O/c1-10(2)15-14(19-27-28-20(21-4)30-19)8-29-16(15)18(23-9-24-29)26-13-6-12-5-11(3)25-17(12)22-7-13/h5-10H,1-4H3,(H,21,28)(H,22,25)(H,23,24,26)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50377352
PNG
(BMS-645737 | CHEMBL261592)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C20H20N8O/c1-10(2)16-15(20-27-26-12(4)29-20)8-28-17(16)19(22-9-23-28)25-14-6-13-5-11(3)24-18(13)21-7-14/h5-10H,1-4H3,(H,21,24)(H,22,23,25)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp method


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50377352
PNG
(BMS-645737 | CHEMBL261592)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C20H20N8O/c1-10(2)16-15(20-27-26-12(4)29-20)8-28-17(16)19(22-9-23-28)25-14-6-13-5-11(3)24-18(13)21-7-14/h5-10H,1-4H3,(H,21,24)(H,22,23,25)
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n/an/a 1.15E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50377357
PNG
(CHEMBL258694)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]ccc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C19H18N8O/c1-10(2)15-14(19-26-25-11(3)28-19)8-27-16(15)18(22-9-23-27)24-13-6-12-4-5-20-17(12)21-7-13/h4-10H,1-3H3,(H,20,21)(H,22,23,24)
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n/an/a>4.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50377352
PNG
(BMS-645737 | CHEMBL261592)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C20H20N8O/c1-10(2)16-15(20-27-26-12(4)29-20)8-28-17(16)19(22-9-23-28)25-14-6-13-5-11(3)24-18(13)21-7-14/h5-10H,1-4H3,(H,21,24)(H,22,23,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50377357
PNG
(CHEMBL258694)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]ccc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C19H18N8O/c1-10(2)15-14(19-26-25-11(3)28-19)8-27-16(15)18(22-9-23-27)24-13-6-12-4-5-20-17(12)21-7-13/h4-10H,1-3H3,(H,20,21)(H,22,23,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50377352
PNG
(BMS-645737 | CHEMBL261592)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]c(C)cc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C20H20N8O/c1-10(2)16-15(20-27-26-12(4)29-20)8-28-17(16)19(22-9-23-28)25-14-6-13-5-11(3)24-18(13)21-7-14/h5-10H,1-4H3,(H,21,24)(H,22,23,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of JAK3


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
Protein kinase C alpha type


(Homo sapiens (Human))
BDBM50377357
PNG
(CHEMBL258694)
Show SMILES CC(C)c1c(cn2ncnc(Nc3cnc4[nH]ccc4c3)c12)-c1nnc(C)o1
Show InChI InChI=1S/C19H18N8O/c1-10(2)15-14(19-26-25-11(3)28-19)8-27-16(15)18(22-9-23-27)24-13-6-12-4-5-20-17(12)21-7-13/h4-10H,1-3H3,(H,20,21)(H,22,23,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of PKCalpha


Bioorg Med Chem Lett 18: 2985-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.057
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%