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Compile Data Set for Download or QSAR

Found 174 hits with Last Name = 'zhang' and Initial = 'rf'   
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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16318
PNG
(3-({5-cyano-6-[(2,2-dimethylpropyl)(methyl)amino]-...)
Show SMILES CNc1nc(Nc2cc(ccc2C)C(=O)NOC)c(C#N)c(n1)N(C)CC(C)(C)C
Show InChI InChI=1S/C21H29N7O2/c1-13-8-9-14(19(29)27-30-7)10-16(13)24-17-15(11-22)18(26-20(23-5)25-17)28(6)12-21(2,3)4/h8-10H,12H2,1-7H3,(H,27,29)(H2,23,24,25,26)
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0.0470 -58.4n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



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 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16319
PNG
(3-({2-amino-5-cyano-6-[(2,2-dimethylpropyl)(methyl...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(N)nc(N(C)CC(C)(C)C)c2C#N)c1
Show InChI InChI=1S/C20H27N7O2/c1-12-7-8-13(18(28)26-29-6)9-15(12)23-16-14(10-21)17(25-19(22)24-16)27(5)11-20(2,3)4/h7-9H,11H2,1-6H3,(H,26,28)(H3,22,23,24,25)
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0.0500 -58.2n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



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 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16317
PNG
(3-({5-cyano-6-[(2,2-dimethylpropyl)(methyl)amino]-...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(N(C)CC(C)(C)C)c2C#N)N2CCCN(C)CC2)c1
Show InChI InChI=1S/C26H38N8O2/c1-18-9-10-19(24(35)31-36-7)15-21(18)28-22-20(16-27)23(33(6)17-26(2,3)4)30-25(29-22)34-12-8-11-32(5)13-14-34/h9-10,15H,8,11-14,17H2,1-7H3,(H,31,35)(H,28,29,30)
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0.0570 -57.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



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 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16329
PNG
(3-({2-amino-5-cyano-6-[(1-methylethyl)amino]pyrimi...)
Show SMILES CC(C)Nc1nc(N)nc(Nc2cc(ccc2C)C(=O)Nc2ccon2)c1C#N
Show InChI InChI=1S/C19H20N8O2/c1-10(2)22-16-13(9-20)17(26-19(21)25-16)23-14-8-12(5-4-11(14)3)18(28)24-15-6-7-29-27-15/h4-8,10H,1-3H3,(H,24,27,28)(H4,21,22,23,25,26)
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0.0570 -57.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



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 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16320
PNG
(3-({5-cyano-6-[(2,2-dimethylpropyl)(methyl)amino]p...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnc(N(C)CC(C)(C)C)c2C#N)c1
Show InChI InChI=1S/C20H26N6O2/c1-13-7-8-14(19(27)25-28-6)9-16(13)24-17-15(10-21)18(23-12-22-17)26(5)11-20(2,3)4/h7-9,12H,11H2,1-6H3,(H,25,27)(H,22,23,24)
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0.150 -55.5n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



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 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16330
PNG
(3-{[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-...)
Show SMILES Cc1ccc(cc1Nc1nc(N)nc(NC2CCCC2)c1C#N)C(=O)Nc1ccon1
Show InChI InChI=1S/C21H22N8O2/c1-12-6-7-13(20(30)26-17-8-9-31-29-17)10-16(12)25-19-15(11-22)18(27-21(23)28-19)24-14-4-2-3-5-14/h6-10,14H,2-5H2,1H3,(H,26,29,30)(H4,23,24,25,27,28)
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0.160 -55.3n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



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 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16325
PNG
(3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl...)
Show SMILES CC(C)Nc1ncnc(Nc2cc(ccc2C)C(=O)Nc2ccon2)c1C#N
Show InChI InChI=1S/C19H19N7O2/c1-11(2)23-17-14(9-20)18(22-10-21-17)24-15-8-13(5-4-12(15)3)19(27)25-16-6-7-28-26-16/h4-8,10-11H,1-3H3,(H,25,26,27)(H2,21,22,23,24)
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0.410 -53.0n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



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 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16324
PNG
(3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]ami...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnc(NC3CCCC3)c2C#N)c1
Show InChI InChI=1S/C19H22N6O2/c1-12-7-8-13(19(26)25-27-2)9-16(12)24-18-15(10-20)17(21-11-22-18)23-14-5-3-4-6-14/h7-9,11,14H,3-6H2,1-2H3,(H,25,26)(H2,21,22,23,24)
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0.420 -53.0n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



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 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16323
PNG
(3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2ncnc(NC(C)C)c2C#N)c1
Show InChI InChI=1S/C17H20N6O2/c1-10(2)21-15-13(8-18)16(20-9-19-15)22-14-7-12(6-5-11(14)3)17(24)23-25-4/h5-7,9-10H,1-4H3,(H,23,24)(H2,19,20,21,22)
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0.610 -52.1n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



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 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16322
PNG
(3-{[5-cyano-6-(propylamino)pyrimidin-4-yl]amino}-N...)
Show SMILES CCCNc1ncnc(Nc2cc(ccc2C)C(=O)NOC)c1C#N
Show InChI InChI=1S/C17H20N6O2/c1-4-7-19-15-13(9-18)16(21-10-20-15)22-14-8-12(6-5-11(14)2)17(24)23-25-3/h5-6,8,10H,4,7H2,1-3H3,(H,23,24)(H2,19,20,21,22)
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0.970 -50.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



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 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16331
PNG
(3-({2-amino-5-cyano-6-[(1-methylethyl)amino]pyrimi...)
Show SMILES CCn1nccc1NC(=O)c1ccc(C)c(Nc2nc(N)nc(NC(C)C)c2C#N)c1
Show InChI InChI=1S/C21H25N9O/c1-5-30-17(8-9-24-30)27-20(31)14-7-6-13(4)16(10-14)26-19-15(11-22)18(25-12(2)3)28-21(23)29-19/h6-10,12H,5H2,1-4H3,(H,27,31)(H4,23,25,26,28,29)
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1.5 -49.9n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



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 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16326
PNG
(3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]ami...)
Show SMILES Cc1ccc(cc1Nc1ncnc(NC2CCCC2)c1C#N)C(=O)Nc1ccon1
Show InChI InChI=1S/C21H21N7O2/c1-13-6-7-14(21(29)27-18-8-9-30-28-18)10-17(13)26-20-16(11-22)19(23-12-24-20)25-15-4-2-3-5-15/h6-10,12,15H,2-5H2,1H3,(H,27,28,29)(H2,23,24,25,26)
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1.60 -49.7n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



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 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16332
PNG
(3-{[2-amino-5-cyano-6-(cyclopentylamino)pyrimidin-...)
Show SMILES CCn1nccc1NC(=O)c1ccc(C)c(Nc2nc(N)nc(NC3CCCC3)c2C#N)c1
Show InChI InChI=1S/C23H27N9O/c1-3-32-19(10-11-26-32)29-22(33)15-9-8-14(2)18(12-15)28-21-17(13-24)20(30-23(25)31-21)27-16-6-4-5-7-16/h8-12,16H,3-7H2,1-2H3,(H,29,33)(H4,25,27,28,30,31)
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1.90 -49.3n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



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 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16316
PNG
(3-({4-[(2,2-dimethylpropyl)(methyl)amino]-6-(4-met...)
Show SMILES CONC(=O)c1ccc(C)c(Nc2nc(nc(n2)N2CCCN(C)CC2)N(C)CC(C)(C)C)c1
Show InChI InChI=1S/C24H38N8O2/c1-17-9-10-18(20(33)29-34-7)15-19(17)25-21-26-22(31(6)16-24(2,3)4)28-23(27-21)32-12-8-11-30(5)13-14-32/h9-10,15H,8,11-14,16H2,1-7H3,(H,29,33)(H,25,26,27,28)
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3.70 -47.6n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



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 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16328
PNG
(3-{[5-cyano-6-(cyclopentylamino)pyrimidin-4-yl]ami...)
Show SMILES CCn1nccc1NC(=O)c1ccc(C)c(Nc2ncnc(NC3CCCC3)c2C#N)c1
Show InChI InChI=1S/C23H26N8O/c1-3-31-20(10-11-27-31)30-23(32)16-9-8-15(2)19(12-16)29-22-18(13-24)21(25-14-26-22)28-17-6-4-5-7-17/h8-12,14,17H,3-7H2,1-2H3,(H,30,32)(H2,25,26,28,29)
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14 -44.4n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



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 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16327
PNG
(3-({5-cyano-6-[(1-methylethyl)amino]pyrimidin-4-yl...)
Show SMILES CCn1nccc1NC(=O)c1ccc(C)c(Nc2ncnc(NC(C)C)c2C#N)c1
Show InChI InChI=1S/C21H24N8O/c1-5-29-18(8-9-25-29)28-21(30)15-7-6-14(4)17(10-15)27-20-16(11-22)19(23-12-24-20)26-13(2)3/h6-10,12-13H,5H2,1-4H3,(H,28,30)(H2,23,24,26,27)
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15 -44.2n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



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 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16321
PNG
(3-{[5-cyano-6-(methylamino)pyrimidin-4-yl]amino}-N...)
Show SMILES CNc1ncnc(Nc2cc(ccc2C)C(=O)NOC)c1C#N
Show InChI InChI=1S/C15H16N6O2/c1-9-4-5-10(15(22)21-23-3)6-12(9)20-14-11(7-16)13(17-2)18-8-19-14/h4-6,8H,1-3H3,(H,21,22)(H2,17,18,19,20)
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16 -44.0n/an/an/an/an/a7.422



Bristol-Myers Squibb Company



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 48: 6261-70 (2005)


Article DOI: 10.1021/jm0503594
BindingDB Entry DOI: 10.7270/Q25X276T
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035810
PNG
(CHEMBL3359927)
Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1/C14H17FN4O/c1-14(15)6-2-5-11(14)18-12-9(13(16)20)8-17-19-7-3-4-10(12)19/h3-4,7-8,11,18H,2,5-6H2,1H3,(H2,16,20)/t11-,14+/s2
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n/an/a 1n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035810
PNG
(CHEMBL3359927)
Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1/C14H17FN4O/c1-14(15)6-2-5-11(14)18-12-9(13(16)20)8-17-19-7-3-4-10(12)19/h3-4,7-8,11,18H,2,5-6H2,1H3,(H2,16,20)/t11-,14+/s2
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
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 |r|
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)
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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035849
PNG
(CHEMBL3359915)
Show SMILES C[C@@]1(O)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C |r|
Show InChI InChI=1/C16H22N4O2/c1-15(2)12(6-7-16(15,3)22)19-13-10(14(17)21)9-18-20-8-4-5-11(13)20/h4-5,8-9,12,19,22H,6-7H2,1-3H3,(H2,17,21)/t12-,16-/s2
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n/an/a 3n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
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/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)
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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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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50235907
PNG
(6-(4-(2-fluorophenyl)-1H-imidazol-5-yl)-N-isopropy...)
Show SMILES CC(C)Nc1nc2ccc(cc2s1)-c1[nH]cnc1-c1ccccc1F
Show InChI InChI=1S/C19H17FN4S/c1-11(2)23-19-24-15-8-7-12(9-16(15)25-19)17-18(22-10-21-17)13-5-3-4-6-14(13)20/h3-11H,1-2H3,(H,21,22)(H,23,24)
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n/an/a 3.30n/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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50235907
PNG
(6-(4-(2-fluorophenyl)-1H-imidazol-5-yl)-N-isopropy...)
Show SMILES CC(C)Nc1nc2ccc(cc2s1)-c1[nH]cnc1-c1ccccc1F
Show InChI InChI=1S/C19H17FN4S/c1-11(2)23-19-24-15-8-7-12(9-16(15)25-19)17-18(22-10-21-17)13-5-3-4-6-14(13)20/h3-11H,1-2H3,(H,21,22)(H,23,24)
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n/an/a 3.30n/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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50235896
PNG
(6-(5-amino-3-(2-fluorophenyl)-1H-pyrazol-4-yl)-N-i...)
Show SMILES CC(C)Nc1nc2ccc(cc2s1)-c1c(N)[nH]nc1-c1ccccc1F
Show InChI InChI=1S/C19H18FN5S/c1-10(2)22-19-23-14-8-7-11(9-15(14)26-19)16-17(24-25-18(16)21)12-5-3-4-6-13(12)20/h3-10H,1-2H3,(H,22,23)(H3,21,24,25)
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n/an/a 3.70n/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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327020
PNG
(4-(5-(Isoxazol-3-ylcarbamoyl)-2-methylphenylamino)...)
Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)Nc3ccon3)c2c1C
Show InChI InChI=1S/C22H23N7O3/c1-4-8-23-22(31)16-11-29-19(14(16)3)20(24-12-25-29)26-17-10-15(6-5-13(17)2)21(30)27-18-7-9-32-28-18/h5-7,9-12H,4,8H2,1-3H3,(H,23,31)(H,24,25,26)(H,27,28,30)
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n/an/a 3.90n/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)
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035842
PNG
(CHEMBL3359908)
Show SMILES CC1(C)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1/C15H20N4O/c1-15(2)7-3-6-12(15)18-13-10(14(16)20)9-17-19-8-4-5-11(13)19/h4-5,8-9,12,18H,3,6-7H2,1-2H3,(H2,16,20)/t12-/s2
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035814
PNG
(CHEMBL3359921)
Show SMILES C[C@]1(N)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C |r|
Show InChI InChI=1/C16H23N5O/c1-15(2)12(6-7-16(15,3)18)20-13-10(14(17)22)9-19-21-8-4-5-11(13)21/h4-5,8-9,12,20H,6-7,18H2,1-3H3,(H2,17,22)/t12-,16+/s2
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n/an/a 5n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50235894
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-/m0/s1
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n/an/a 5.5n/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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035847
PNG
(CHEMBL3359913)
Show SMILES CC1(C)[C@H](O)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1/C15H20N4O2/c1-15(2)11(5-6-12(15)20)18-13-9(14(16)21)8-17-19-7-3-4-10(13)19/h3-4,7-8,11-12,18,20H,5-6H2,1-2H3,(H2,16,21)/t11-,12-/s2
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035837
PNG
(CHEMBL3359926)
Show SMILES C[C@@]1(CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O)C#N |r|
Show InChI InChI=1/C15H17N5O/c1-15(9-16)6-2-5-12(15)19-13-10(14(17)21)8-18-20-7-3-4-11(13)20/h3-4,7-8,12,19H,2,5-6H2,1H3,(H2,17,21)/t12-,15-/s2
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n/an/a 6n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50235899
PNG
(6-(4-(2-fluorophenyl)oxazol-5-yl)-N-isopropylbenzo...)
Show SMILES CC(C)Nc1nc2ccc(cc2s1)-c1ocnc1-c1ccccc1F
Show InChI InChI=1S/C19H16FN3OS/c1-11(2)22-19-23-15-8-7-12(9-16(15)25-19)18-17(21-10-24-18)13-5-3-4-6-14(13)20/h3-11H,1-2H3,(H,22,23)
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n/an/a 6.40n/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
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50235901
PNG
(CHEMBL255268 | N-(R)-sec-butyl-6-(4-(2-fluoropheny...)
Show SMILES CC[C@@H](C)Nc1nc2ccc(cc2s1)-c1ocnc1-c1ccccc1F
Show InChI InChI=1S/C20H18FN3OS/c1-3-12(2)23-20-24-16-9-8-13(10-17(16)26-20)19-18(22-11-25-19)14-6-4-5-7-15(14)21/h4-12H,3H2,1-2H3,(H,23,24)/t12-/m1/s1
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n/an/a 6.5n/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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035849
PNG
(CHEMBL3359915)
Show SMILES C[C@@]1(O)CC[C@@H](Nc2c(cnn3cccc23)C(N)=O)C1(C)C |r|
Show InChI InChI=1/C16H22N4O2/c1-15(2)12(6-7-16(15,3)22)19-13-10(14(17)21)9-18-20-8-4-5-11(13)20/h4-5,8-9,12,19,22H,6-7H2,1-3H3,(H2,17,21)/t12-,16-/s2
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50235911
PNG
(CHEMBL256925 | N-isopropyl-6-(4-phenyl-1H-imidazol...)
Show SMILES CC(C)Nc1nc2ccc(cc2s1)-c1nc[nH]c1-c1ccccc1
Show InChI InChI=1S/C19H18N4S/c1-12(2)22-19-23-15-9-8-14(10-16(15)24-19)18-17(20-11-21-18)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,21)(H,22,23)
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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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327019
PNG
(CHEMBL1255004 | N-Ethyl-4-(5-(isoxazol-3-ylcarbamo...)
Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)Nc3ccon3)c2c1C
Show InChI InChI=1S/C21H21N7O3/c1-4-22-21(30)15-10-28-18(13(15)3)19(23-11-24-28)25-16-9-14(6-5-12(16)2)20(29)26-17-7-8-31-27-17/h5-11H,4H2,1-3H3,(H,22,30)(H,23,24,25)(H,26,27,29)
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n/an/a 7.10n/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
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035842
PNG
(CHEMBL3359908)
Show SMILES CC1(C)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1/C15H20N4O/c1-15(2)7-3-6-12(15)18-13-10(14(16)20)9-17-19-8-4-5-11(13)19/h4-5,8-9,12,18H,3,6-7H2,1-2H3,(H2,16,20)/t12-/s2
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035841
PNG
(CHEMBL3359907)
Show SMILES C[C@@H](Nc1c(cnn2cccc12)C(N)=O)C(C)(C)C |r|
Show InChI InChI=1/C14H20N4O/c1-9(14(2,3)4)17-12-10(13(15)19)8-16-18-7-5-6-11(12)18/h5-9,17H,1-4H3,(H2,15,19)/t9-/s2
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n/an/a 8n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50035810
PNG
(CHEMBL3359927)
Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1/C14H17FN4O/c1-14(15)6-2-5-11(14)18-12-9(13(16)20)8-17-19-7-3-4-10(12)19/h3-4,7-8,11,18H,2,5-6H2,1H3,(H2,16,20)/t11-,14+/s2
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n/an/a 9n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK1 (unknown origin) bycaliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50235893
PNG
(CHEMBL255269 | N-(S)-sec-butyl-6-(4-(2-fluoropheny...)
Show SMILES CC[C@H](C)Nc1nc2ccc(cc2s1)-c1ocnc1-c1ccccc1F
Show InChI InChI=1S/C20H18FN3OS/c1-3-12(2)23-20-24-16-9-8-13(10-17(16)26-20)19-18(22-11-25-19)14-6-4-5-7-15(14)21/h4-12H,3H2,1-2H3,(H,23,24)/t12-/m0/s1
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n/an/a 10n/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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327010
PNG
(CHEMBL1254583 | N-Butyl-4-(5-(cyclopropylcarbamoyl...)
Show SMILES CCCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C
Show InChI InChI=1S/C23H28N6O2/c1-4-5-10-24-23(31)18-12-29-20(15(18)3)21(25-13-26-29)28-19-11-16(7-6-14(19)2)22(30)27-17-8-9-17/h6-7,11-13,17H,4-5,8-10H2,1-3H3,(H,24,31)(H,27,30)(H,25,26,28)
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n/an/a 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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035837
PNG
(CHEMBL3359926)
Show SMILES C[C@@]1(CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O)C#N |r|
Show InChI InChI=1/C15H17N5O/c1-15(9-16)6-2-5-12(15)19-13-10(14(17)21)8-18-20-7-3-4-11(13)20/h3-4,7-8,12,19H,2,5-6H2,1H3,(H2,17,21)/t12-,15-/s2
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50235900
PNG
(6-(5-amino-3-(2-fluorophenyl)-1-methyl-1H-pyrazol-...)
Show SMILES CC[C@@H](C)Nc1nc2ccc(cc2s1)-c1c(N)n(C)nc1-c1ccccc1F
Show InChI InChI=1S/C21H22FN5S/c1-4-12(2)24-21-25-16-10-9-13(11-17(16)28-21)18-19(26-27(3)20(18)23)14-7-5-6-8-15(14)22/h5-12H,4,23H2,1-3H3,(H,24,25)/t12-/m1/s1
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n/an/a 11n/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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50235913
PNG
(CHEMBL255464 | N-ethyl-6-(4-(2-fluorophenyl)oxazol...)
Show SMILES CCNc1nc2ccc(cc2s1)-c1ocnc1-c1ccccc1F
Show InChI InChI=1S/C18H14FN3OS/c1-2-20-18-22-14-8-7-11(9-15(14)24-18)17-16(21-10-23-17)12-5-3-4-6-13(12)19/h3-10H,2H2,1H3,(H,20,22)
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n/an/a 12n/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
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327011
PNG
((S)-4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamin...)
Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C)c1ccccc1 |r|
Show InChI InChI=1S/C27H28N6O2/c1-16-9-10-20(26(34)31-21-11-12-21)13-23(16)32-25-24-17(2)22(14-33(24)29-15-28-25)27(35)30-18(3)19-7-5-4-6-8-19/h4-10,13-15,18,21H,11-12H2,1-3H3,(H,30,35)(H,31,34)(H,28,29,32)/t18-/m0/s1
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n/an/a 12n/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
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50035812
PNG
(CHEMBL3359919)
Show SMILES CC1(C)[C@@H](N)CC[C@H]1Nc1c(cnn2cccc12)C(N)=O |r|
Show InChI InChI=1/C15H21N5O/c1-15(2)11(16)5-6-12(15)19-13-9(14(17)21)8-18-20-7-3-4-10(13)20/h3-4,7-8,11-12,19H,5-6,16H2,1-2H3,(H2,17,21)/t11-,12+/s2
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n/an/a 12n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of JAK3 (unknown origin) by filter assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327009
PNG
(4-(5-(Cyclopropylcarbamoyl)-2-methylphenylamino)-5...)
Show SMILES CCCNC(=O)c1cn2ncnc(Nc3cc(ccc3C)C(=O)NC3CC3)c2c1C
Show InChI InChI=1S/C22H26N6O2/c1-4-9-23-22(30)17-11-28-19(14(17)3)20(24-12-25-28)27-18-10-15(6-5-13(18)2)21(29)26-16-7-8-16/h5-6,10-12,16H,4,7-9H2,1-3H3,(H,23,30)(H,26,29)(H,24,25,27)
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n/an/a 13n/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)
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