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Compile Data Set for Download or QSAR

Found 898 hits with Last Name = 'marathe' and Initial = 'p'   
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


(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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26n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
BindingDB Entry DOI: 10.7270/Q2WW7H7N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(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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26n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR2


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
BindingDB Entry DOI: 10.7270/Q2WW7H7N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Mus musculus)
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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28n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Flk1


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
BindingDB Entry DOI: 10.7270/Q2WW7H7N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(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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60n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against VEGFR1


J Med Chem 49: 2143-6 (2006)


Article DOI: 10.1021/jm051106d
BindingDB Entry DOI: 10.7270/Q2WW7H7N
More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 0.400n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of lck inase


J Med Chem 47: 6658-61 (2004)


Article DOI: 10.1021/jm049486a
BindingDB Entry DOI: 10.7270/Q2ZG6RRC
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM20655
PNG
(N-benzyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]a...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCc4ccccc4)c(C)c23)c1
Show InChI InChI=1S/C24H24N6O3/c1-15-9-10-18(23(31)29-33-3)11-20(15)28-22-21-16(2)19(13-30(21)27-14-26-22)24(32)25-12-17-7-5-4-6-8-17/h4-11,13-14H,12H2,1-3H3,(H,25,32)(H,29,31)(H,26,27,28)
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n/an/a 0.400n/a 9.60n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of src kinase


J Med Chem 47: 6658-61 (2004)


Article DOI: 10.1021/jm049486a
BindingDB Entry DOI: 10.7270/Q2ZG6RRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Tyrosine-protein kinase Yes


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 0.5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of yes kinase


J Med Chem 47: 6658-61 (2004)


Article DOI: 10.1021/jm049486a
BindingDB Entry DOI: 10.7270/Q2ZG6RRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM20650
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...)
Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C20H24N6O3/c1-5-8-21-20(28)15-10-26-17(13(15)3)18(22-11-23-26)24-16-9-14(7-6-12(16)2)19(27)25-29-4/h6-7,9-11H,5,8H2,1-4H3,(H,21,28)(H,25,27)(H,22,23,24)
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n/an/a 0.900n/a 30n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM20645
PNG
(ethyl 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amin...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C19H21N5O4/c1-5-28-19(26)14-9-24-16(12(14)3)17(20-10-21-24)22-15-8-13(7-6-11(15)2)18(25)23-27-4/h6-10H,5H2,1-4H3,(H,23,25)(H,20,21,22)
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n/an/a 0.900n/a 37n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Bcr-Abl


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a<1n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Bcr-Abl kinase


J Med Chem 47: 6658-61 (2004)


Article DOI: 10.1021/jm049486a
BindingDB Entry DOI: 10.7270/Q2ZG6RRC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM20640
PNG
(methyl 4-{[5-(methoxycarbamoyl)-2-methylphenyl]ami...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)OC)c(C)c23)c1
Show InChI InChI=1S/C18H19N5O4/c1-10-5-6-12(17(24)22-27-4)7-14(10)21-16-15-11(2)13(18(25)26-3)8-23(15)20-9-19-16/h5-9H,1-4H3,(H,22,24)(H,19,20,21)
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n/an/a 1.10n/a 160n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM20666
PNG
(propan-2-yl N-(4-{[5-(methoxycarbamoyl)-2-methylph...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(NC(=O)OC(C)C)c(C)c23)c1
Show InChI InChI=1S/C20H24N6O4/c1-11(2)30-20(28)24-16-9-26-17(13(16)4)18(21-10-22-26)23-15-8-14(7-6-12(15)3)19(27)25-29-5/h6-11H,1-5H3,(H,24,28)(H,25,27)(H,21,22,23)
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n/an/a 1.20n/a 110n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM20656
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)NCc4ccccn4)c(C)c23)c1
Show InChI InChI=1S/C23H23N7O3/c1-14-7-8-16(22(31)29-33-3)10-19(14)28-21-20-15(2)18(12-30(20)27-13-26-21)23(32)25-11-17-6-4-5-9-24-17/h4-10,12-13H,11H2,1-3H3,(H,25,32)(H,29,31)(H,26,27,28)
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n/an/a 1.20n/a 2.40n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24457
PNG
(2-[(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}p...)
Show SMILES [O-][n+]1c(cccc1-c1ccccc1)C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C25H17FN4O3/c26-19-15-17(9-10-23(19)33-22-12-14-28-24-18(22)11-13-27-24)29-25(31)21-8-4-7-20(30(21)32)16-5-2-1-3-6-16/h1-15H,(H,27,28)(H,29,31)
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n/an/a 1.30n/an/an/an/a7.530



Bristol-Myers Squibb Co.



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM20665
PNG
(ethyl N-(4-{[5-(methoxycarbamoyl)-2-methylphenyl]a...)
Show SMILES CCOC(=O)Nc1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C19H22N6O4/c1-5-29-19(27)23-15-9-25-16(12(15)3)17(20-10-21-25)22-14-8-13(7-6-11(14)2)18(26)24-28-4/h6-10H,5H2,1-4H3,(H,23,27)(H,24,26)(H,20,21,22)
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n/an/a 1.5n/a 26n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(Homo sapiens (Human))
BDBM50236473
PNG
((R)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbam...)
Show SMILES CC[C@@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC
Show InChI InChI=1S/C17H22N4O2S/c1-5-11(3)20-17-19-9-14(24-17)16(23)21-13-8-12(15(22)18-4)7-6-10(13)2/h6-9,11H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t11-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human p38beta


Bioorg Med Chem Lett 18: 1762-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.031
BindingDB Entry DOI: 10.7270/Q2057FNW
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50235904
PNG
(CHEMBL439238 | N-(R)-sec-butyl-6-(4-(2-fluoropheny...)
Show SMILES CC[C@@H](C)Nc1nc2ccc(cc2s1)-c1[nH]cnc1-c1ccccc1F
Show InChI InChI=1S/C20H19FN4S/c1-3-12(2)24-20-25-16-9-8-13(10-17(16)26-20)18-19(23-11-22-18)14-6-4-5-7-15(14)21/h4-12H,3H2,1-2H3,(H,22,23)(H,24,25)/t12-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1874-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.011
BindingDB Entry DOI: 10.7270/Q2H41R5C
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50318222
PNG
(4-((5S,9R)-7-(5-(1H-Tetrazol-5-yl)pyridin-2-yl)-3-...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccc(cn1)-c1nnn[nH]1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C26H19Cl2N9O2/c1-35-25(39)37(20-9-18(27)8-19(28)10-20)24(38)26(35)14-36(13-21(26)16-4-2-15(11-29)3-5-16)22-7-6-17(12-30-22)23-31-33-34-32-23/h2-10,12,21H,13-14H2,1H3,(H,31,32,33,34)/t21-,26+/m0/s1
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n/an/a 1.80n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay


J Med Chem 53: 3814-30 (2010)


Article DOI: 10.1021/jm100348u
BindingDB Entry DOI: 10.7270/Q2KP82B4
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24440
PNG
(2-pyridone analogue, 2 | JMC521251 Compound 1 | N-...)
Show SMILES Fc1ccc(cc1)-n1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O
Show InChI InChI=1S/C25H16F2N4O3/c26-15-3-6-17(7-4-15)31-13-1-2-19(25(31)33)24(32)30-16-5-8-22(20(27)14-16)34-21-10-12-29-23-18(21)9-11-28-23/h1-14H,(H,28,29)(H,30,32)
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n/an/a 1.80n/an/an/an/a7.530



Bristol-Myers Squibb Co.



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24458
PNG
(2-[(3-fluoro-4-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}p...)
Show SMILES [O-][n+]1c(cccc1-c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C25H16F2N4O3/c26-16-6-4-15(5-7-16)20-2-1-3-21(31(20)33)25(32)30-17-8-9-23(19(27)14-17)34-22-11-13-29-24-18(22)10-12-28-24/h1-14H,(H,28,29)(H,30,32)
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n/an/a 1.80n/an/an/an/a7.530



Bristol-Myers Squibb Co.



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50318219
PNG
(2-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1nc2cccc(C(O)=O)c2s1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C28H19Cl2N5O4S/c1-33-27(39)35(19-10-17(29)9-18(30)11-19)25(38)28(33)14-34(13-21(28)16-7-5-15(12-31)6-8-16)26-32-22-4-2-3-20(24(36)37)23(22)40-26/h2-11,21H,13-14H2,1H3,(H,36,37)/t21-,28+/m0/s1
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay


J Med Chem 53: 3814-30 (2010)


Article DOI: 10.1021/jm100348u
BindingDB Entry DOI: 10.7270/Q2KP82B4
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24441
PNG
(2-pyridone analogue, 13 | N-(3-fluoro-4-{1H-pyrrol...)
Show SMILES Fc1cc(NC(=O)c2cccn(-c3ccccc3)c2=O)ccc1Oc1ccnc2[nH]ccc12
Show InChI InChI=1S/C25H17FN4O3/c26-20-15-16(8-9-22(20)33-21-11-13-28-23-18(21)10-12-27-23)29-24(31)19-7-4-14-30(25(19)32)17-5-2-1-3-6-17/h1-15H,(H,27,28)(H,29,31)
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n/an/a 1.90n/an/an/an/a7.530



Bristol-Myers Squibb Co.



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50272049
PNG
(1-(4-(2-amino-3-ethynylpyridin-4-yloxy)-3-fluoroph...)
Show SMILES Nc1nccc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)c1C#C
Show InChI InChI=1S/C22H16F2N4O3/c1-2-16-18(9-10-26-21(16)25)31-19-8-7-15(12-17(19)24)27-22(30)28-20(29)11-13-3-5-14(23)6-4-13/h1,3-10,12H,11H2,(H2,25,26)(H2,27,28,29,30)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Met kinase (unknown origin)


Bioorg Med Chem Lett 18: 3224-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.047
BindingDB Entry DOI: 10.7270/Q2XG9QX1
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50271981
PNG
(1-(3-fluoro-4-(3-(pyridin-3-yl)-1H-pyrrolo[2,3-b]p...)
Show SMILES Fc1ccc(CC(=O)NC(=O)Nc2ccc(Oc3ccnc4[nH]cc(-c5cccnc5)c34)c(F)c2)cc1
Show InChI InChI=1S/C27H19F2N5O3/c28-18-5-3-16(4-6-18)12-24(35)34-27(36)33-19-7-8-22(21(29)13-19)37-23-9-11-31-26-25(23)20(15-32-26)17-2-1-10-30-14-17/h1-11,13-15H,12H2,(H,31,32)(H2,33,34,35,36)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Met kinase (unknown origin)


Bioorg Med Chem Lett 18: 3224-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.047
BindingDB Entry DOI: 10.7270/Q2XG9QX1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50236476
PNG
(CHEMBL255482 | N-(5-(ethylcarbamoyl)-2-methylpheny...)
Show SMILES CCCNc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NCC
Show InChI InChI=1S/C17H22N4O2S/c1-4-8-19-17-20-10-14(24-17)16(23)21-13-9-12(7-6-11(13)3)15(22)18-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,22)(H,19,20)(H,21,23)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha


Bioorg Med Chem Lett 18: 1762-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.031
BindingDB Entry DOI: 10.7270/Q2057FNW
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50272012
PNG
(1-(3-fluoro-4-(2-(pyridin-3-yl)-1H-pyrrolo[2,3-b]p...)
Show SMILES Fc1ccc(CC(=O)NC(=O)Nc2ccc(Oc3ccnc4[nH]c(cc34)-c3cccnc3)c(F)c2)cc1
Show InChI InChI=1S/C27H19F2N5O3/c28-18-5-3-16(4-6-18)12-25(35)34-27(36)32-19-7-8-24(21(29)13-19)37-23-9-11-31-26-20(23)14-22(33-26)17-2-1-10-30-15-17/h1-11,13-15H,12H2,(H,31,33)(H2,32,34,35,36)
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Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Met kinase (unknown origin)


Bioorg Med Chem Lett 18: 3224-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.047
BindingDB Entry DOI: 10.7270/Q2XG9QX1
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5666
PNG
(2-amino-5-thio-substituted thiazole 40 | 3-(5-{[(5...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(F)cccc3F)s2)o1
Show InChI InChI=1S/C18H18F2N4O2S2/c1-18(2,3)12-7-21-13(26-12)9-27-14-8-22-17(28-14)24-16(25)23-15-10(19)5-4-6-11(15)20/h4-8H,9H2,1-3H3,(H2,22,23,24,25)
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM20653
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-N-(...)
Show SMILES COCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C20H24N6O4/c1-12-5-6-14(19(27)25-30-4)9-16(12)24-18-17-13(2)15(10-26(17)23-11-22-18)20(28)21-7-8-29-3/h5-6,9-11H,7-8H2,1-4H3,(H,21,28)(H,25,27)(H,22,23,24)
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n/an/a 2.20n/a 140n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM20657
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)c4ccccc4)c(C)c23)c1
Show InChI InChI=1S/C25H26N6O3/c1-15-10-11-19(24(32)30-34-4)12-21(15)29-23-22-16(2)20(13-31(22)27-14-26-23)25(33)28-17(3)18-8-6-5-7-9-18/h5-14,17H,1-4H3,(H,28,33)(H,30,32)(H,26,27,29)/t17-/m0/s1
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n/an/a 2.20n/a 10n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM20657
PNG
(4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-m...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)N[C@@H](C)c4ccccc4)c(C)c23)c1
Show InChI InChI=1S/C25H26N6O3/c1-15-10-11-19(24(32)30-34-4)12-21(15)29-23-22-16(2)20(13-31(22)27-14-26-23)25(33)28-17(3)18-8-6-5-7-9-18/h5-14,17H,1-4H3,(H,28,33)(H,30,32)(H,26,27,29)/t17-/m0/s1
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n/an/a 2.20n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins


J Med Chem 53: 6629-39 (2010)


Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24454
PNG
(1-(3-fluoro-4-methoxyphenyl)-N-(3-fluoro-4-{1H-pyr...)
Show SMILES COc1ccc(cc1F)-n1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(=O)c(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C32H21F3N4O4/c1-42-28-9-7-21(15-26(28)35)39-16-23(18-2-4-19(33)5-3-18)30(40)24(17-39)32(41)38-20-6-8-29(25(34)14-20)43-27-11-13-37-31-22(27)10-12-36-31/h2-17H,1H3,(H,36,37)(H,38,41)
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n/an/a 2.30n/an/an/an/a7.530



Bristol-Myers Squibb Co.



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50236483
PNG
((S)-2-(sec-butylamino)-N-(2-methyl-5-(methylcarbam...)
Show SMILES CC[C@H](C)Nc1ncc(s1)C(=O)Nc1cc(ccc1C)C(=O)NC
Show InChI InChI=1S/C17H22N4O2S/c1-5-11(3)20-17-19-9-14(24-17)16(23)21-13-8-12(15(22)18-4)7-6-10(13)2/h6-9,11H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t11-/m0/s1
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Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human p38alpha


Bioorg Med Chem Lett 18: 1762-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.031
BindingDB Entry DOI: 10.7270/Q2057FNW
More data for this
Ligand-Target Pair
Integrin alpha-L/beta-2 (LFA-1)


(Homo sapiens (Human))
BDBM50318220
PNG
(6-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccc(cn1)C(O)=O)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C26H19Cl2N5O4/c1-31-25(37)33(20-9-18(27)8-19(28)10-20)24(36)26(31)14-32(22-7-6-17(12-30-22)23(34)35)13-21(26)16-4-2-15(11-29)3-5-16/h2-10,12,21H,13-14H2,1H3,(H,34,35)/t21-,26+/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay


J Med Chem 53: 3814-30 (2010)


Article DOI: 10.1021/jm100348u
BindingDB Entry DOI: 10.7270/Q2KP82B4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50235905
PNG
(CHEMBL255469 | N-(S)-sec-butyl-6-(4-(2-fluoropheny...)
Show SMILES CC[C@H](C)Nc1nc2ccc(cc2s1)-c1[nH]cnc1-c1ccccc1F
Show InChI InChI=1S/C20H19FN4S/c1-3-12(2)24-20-25-16-9-8-13(10-17(16)26-20)18-19(23-11-22-18)14-6-4-5-7-15(14)21/h4-12H,3H2,1-2H3,(H,22,23)(H,24,25)/t12-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1874-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.011
BindingDB Entry DOI: 10.7270/Q2H41R5C
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24449
PNG
(4-pyridone analogue, 3 | N-(3-fluoro-4-{1H-pyrrolo...)
Show SMILES Oc1c(cncc1-c1ccc(F)cc1)C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1
Show InChI InChI=1S/C25H16F2N4O3/c26-15-3-1-14(2-4-15)18-12-28-13-19(23(18)32)25(33)31-16-5-6-22(20(27)11-16)34-21-8-10-30-24-17(21)7-9-29-24/h1-13H,(H,28,32)(H,29,30)(H,31,33)
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n/an/a 2.80n/an/an/an/a7.530



Bristol-Myers Squibb Co.



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha


(Homo sapiens (Human))
BDBM50199036
PNG
(4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-di...)
Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)C(=O)c1ccc2ncccc2c1)c1cc(Cl)cc(Cl)c1
Show InChI InChI=1S/C30H21Cl2N5O3/c1-35-29(40)37(24-13-22(31)12-23(32)14-24)28(39)30(35)17-36(16-25(30)19-6-4-18(15-33)5-7-19)27(38)21-8-9-26-20(11-21)3-2-10-34-26/h2-14,25H,16-17H2,1H3/t25-,30+/m0/s1
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PubMed
n/an/a 3n/an/an/an/an/an/a



Cerep

Curated by ChEMBL


Assay Description
Inhibition of LFA1-mediated adhesion of T cell to HUVEC


J Med Chem 49: 6946-9 (2006)


Article DOI: 10.1021/jm0610806
BindingDB Entry DOI: 10.7270/Q2SF2XC3
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5668
PNG
(2-amino-5-thio-substituted thiazole 45 | BMS-38703...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC(CO)CO)cc3)s2)o1
Show InChI InChI=1S/C23H30N4O4S2/c1-23(2,3)18-10-25-20(31-18)14-32-21-11-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-17(12-28)13-29/h4-7,10-11,17,24,28-29H,8-9,12-14H2,1-3H3,(H,26,27,30)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5708
PNG
(2-amino-5-thio-substituted thiazole 76 | N-(5-{[(2...)
Show SMILES CC(C)(C)c1ncc(CSc2cnc(NC(=O)Cc3ccccc3)s2)o1
Show InChI InChI=1S/C19H21N3O2S2/c1-19(2,3)17-20-10-14(24-17)12-25-16-11-21-18(26-16)22-15(23)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,21,22,23)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5668
PNG
(2-amino-5-thio-substituted thiazole 45 | BMS-38703...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccc(CNC(CO)CO)cc3)s2)o1
Show InChI InChI=1S/C23H30N4O4S2/c1-23(2,3)18-10-25-20(31-18)14-32-21-11-26-22(33-21)27-19(30)8-15-4-6-16(7-5-15)9-24-17(12-28)13-29/h4-7,10-11,17,24,28-29H,8-9,12-14H2,1-3H3,(H,26,27,30)
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n/an/a 3n/an/an/an/a8.030



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50348884
PNG
(CHEMBL1807448)
Show SMILES COC(=O)NC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4ccccc4)c(C)c23)c1
Show InChI InChI=1S/C24H21N5O4/c1-14-9-10-17(23(31)28-24(32)33-3)11-19(14)27-22-20-15(2)18(12-29(20)26-13-25-22)21(30)16-7-5-4-6-8-16/h4-13H,1-3H3,(H,25,26,27)(H,28,31,32)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human cloned GST-fused p38alpha expressed in Escherichia coli using myelin basic protein as substrate after 45 mins


Bioorg Med Chem Lett 21: 4633-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.091
BindingDB Entry DOI: 10.7270/Q2WS8TMN
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5667
PNG
(2-amino-5-thio-substituted thiazole 41 | 3-(5-{[(5...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Nc3c(Cl)cccc3Cl)s2)o1
Show InChI InChI=1S/C18H18Cl2N4O2S2/c1-18(2,3)12-7-21-13(26-12)9-27-14-8-22-17(28-14)24-16(25)23-15-10(19)5-4-6-11(15)20/h4-8H,9H2,1-3H3,(H2,22,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 45: 3905-27 (2002)


Article DOI: 10.1021/jm0201520
BindingDB Entry DOI: 10.7270/Q2GT5KC3
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM20652
PNG
(N-[(2S)-butan-2-yl]-4-{[5-(methoxycarbamoyl)-2-met...)
Show SMILES CC[C@H](C)NC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C21H26N6O3/c1-6-13(3)24-21(29)16-10-27-18(14(16)4)19(22-11-23-27)25-17-9-15(8-7-12(17)2)20(28)26-30-5/h7-11,13H,6H2,1-5H3,(H,24,29)(H,26,28)(H,22,23,25)/t13-/m0/s1
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n/an/a 3n/a<2n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50348883
PNG
(CHEMBL1807447)
Show SMILES Cc1c(cn2ncnc(Nc3cc(ccc3C)C(=O)Nc3ccon3)c12)C(=O)c1ccccc1
Show InChI InChI=1S/C25H20N6O3/c1-15-8-9-18(25(33)29-21-10-11-34-30-21)12-20(15)28-24-22-16(2)19(13-31(22)27-14-26-24)23(32)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,26,27,28)(H,29,30,33)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of human cloned GST-fused p38alpha expressed in Escherichia coli using myelin basic protein as substrate after 45 mins


Bioorg Med Chem Lett 21: 4633-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.091
BindingDB Entry DOI: 10.7270/Q2WS8TMN
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50272013
PNG
(1-(4-(2-amino-3-(3-hydroxyprop-1-ynyl)pyridin-4-yl...)
Show SMILES Nc1nccc(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)c1C#CCO
Show InChI InChI=1S/C23H18F2N4O4/c24-15-5-3-14(4-6-15)12-21(31)29-23(32)28-16-7-8-20(18(25)13-16)33-19-9-10-27-22(26)17(19)2-1-11-30/h3-10,13,30H,11-12H2,(H2,26,27)(H2,28,29,31,32)
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Met kinase (unknown origin)


Bioorg Med Chem Lett 18: 3224-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.047
BindingDB Entry DOI: 10.7270/Q2XG9QX1
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM5924
PNG
(BMS-387032 analog 14 | N-(5-{[(5-tert-butyl-1,3-ox...)
Show SMILES CC(C)(C)c1cnc(CSc2cnc(NC(=O)Cc3ccccc3)s2)o1
Show InChI InChI=1S/C19H21N3O2S2/c1-19(2,3)14-10-20-16(24-14)12-25-17-11-21-18(26-17)22-15(23)9-13-7-5-4-6-8-13/h4-8,10-11H,9,12H2,1-3H3,(H,21,22,23)
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n/an/a 3n/an/an/an/a8.030



Bristol-Myers Squibb Co.



Assay Description
The enzyme was assayed with substrate in the presence of 25 uM ATP/[gamma-33P] ATP and test compound. Dose response curves were generated to determ...


J Med Chem 47: 1719-28 (2004)


Article DOI: 10.1021/jm0305568
BindingDB Entry DOI: 10.7270/Q26971SZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM20649
PNG
(N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]am...)
Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C19H22N6O3/c1-5-20-19(27)14-9-25-16(12(14)3)17(21-10-22-25)23-15-8-13(7-6-11(15)2)18(26)24-28-4/h6-10H,5H2,1-4H3,(H,20,27)(H,24,26)(H,21,22,23)
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n/an/a 3.10n/a 61n/an/a7.522



Novartis Pharmaceuticals



Assay Description
The kinase activity was determined by quantitation of the amount of radioactive phosphate transferred to myelin basic protein (MBP) with or without i...


J Med Chem 51: 4-16 (2008)


Article DOI: 10.1021/jm7009414
BindingDB Entry DOI: 10.7270/Q23T9FHB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM20649
PNG
(N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]am...)
Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NOC)c2c1C
Show InChI InChI=1S/C19H22N6O3/c1-5-20-19(27)14-9-25-16(12(14)3)17(21-10-22-25)23-15-8-13(7-6-11(15)2)18(26)24-28-4/h6-10H,5H2,1-4H3,(H,20,27)(H,24,26)(H,21,22,23)
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n/an/a 3.10n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of bacterially expressed p38alpha pretreated for 10 mins measured after 45 mins


J Med Chem 53: 6629-39 (2010)


Article DOI: 10.1021/jm100540x
BindingDB Entry DOI: 10.7270/Q2JM29T1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM24450
PNG
(4-pyridone analogue, 34 | N-(3-fluoro-4-{1H-pyrrol...)
Show SMILES Cn1cc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(=O)c(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C26H18F2N4O3/c1-32-13-19(15-2-4-16(27)5-3-15)24(33)20(14-32)26(34)31-17-6-7-23(21(28)12-17)35-22-9-11-30-25-18(22)8-10-29-25/h2-14H,1H3,(H,29,30)(H,31,34)
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n/an/a 3.10n/an/an/an/a7.530



Bristol-Myers Squibb Co.



Assay Description
Kinase activity was assayed using baculovirus expressed GST-Met, and poly(Glu/Tyr) as the substrate. Dose response curves were generated to determine...


J Med Chem 51: 5330-41 (2008)


Article DOI: 10.1021/jm800476q
BindingDB Entry DOI: 10.7270/Q2K35RZG
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50235895
PNG
(6-(5-amino-3-(2-fluorophenyl)-1H-pyrazol-4-yl)-N-(...)
Show SMILES CC[C@@H](C)Nc1nc2ccc(cc2s1)-c1c(N)[nH]nc1-c1ccccc1F
Show InChI InChI=1S/C20H20FN5S/c1-3-11(2)23-20-24-15-9-8-12(10-16(15)27-20)17-18(25-26-19(17)22)13-6-4-5-7-14(13)21/h4-11H,3H2,1-2H3,(H,23,24)(H3,22,25,26)/t11-/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1874-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.011
BindingDB Entry DOI: 10.7270/Q2H41R5C
More data for this
Ligand-Target Pair
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