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Compile Data Set for Download or QSAR

Found 12489 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase 1' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
MAP kinase p38


(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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PubMed
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...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(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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PubMed
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...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(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...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(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...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50072606
PNG
(CHEMBL3409578)
Show SMILES COc1cccc(c1)C(CO)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1/C23H26N4O4/c1-30-19-4-2-3-17(13-19)21(15-28)27-10-6-16(14-22(27)29)20-5-9-24-23(26-20)25-18-7-11-31-12-8-18/h2-6,9-10,13-14,18,21,28H,7-8,11-12,15H2,1H3,(H,24,25,26)
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0.100n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50072602
PNG
(CHEMBL3409573)
Show SMILES OCC(c1ccc(Cl)cc1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1/C22H23ClN4O3/c23-17-3-1-15(2-4-17)20(14-28)27-10-6-16(13-21(27)29)19-5-9-24-22(26-19)25-18-7-11-30-12-8-18/h1-6,9-10,13,18,20,28H,7-8,11-12,14H2,(H,24,25,26)
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0.100n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50072554
PNG
(CHEMBL3409600)
Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1nc(NC2CCOCC2)ncc1F
Show InChI InChI=1/C22H21ClF2N4O3/c23-16-2-1-13(9-17(16)24)19(12-30)29-6-3-14(10-20(29)31)21-18(25)11-26-22(28-21)27-15-4-7-32-8-5-15/h1-3,6,9-11,15,19,30H,4-5,7-8,12H2,(H,26,27,28)
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0.100n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM120107
PNG
(US8697715, 120 | US9259470, 120)
Show SMILES OCC(c1cc(F)cc(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H22ClFN4O3/c23-16-9-15(10-17(24)12-16)20(13-29)28-6-2-14(11-21(28)30)19-1-5-25-22(27-19)26-18-3-7-31-8-4-18/h1-2,5-6,9-12,18,20,29H,3-4,7-8,13H2,(H,25,26,27)
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0.100n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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0.100n/an/an/an/an/an/an/an/a



University of California-San Francisco

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase p38


(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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PubMed
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...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(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...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50072553
PNG
(CHEMBL3409599)
Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1nc(NC2CCOCC2)ncc1Cl
Show InChI InChI=1/C22H21Cl2FN4O3/c23-16-2-1-13(9-18(16)25)19(12-30)29-6-3-14(10-20(29)31)21-17(24)11-26-22(28-21)27-15-4-7-32-8-5-15/h1-3,6,9-11,15,19,30H,4-5,7-8,12H2,(H,26,27,28)
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0.200n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50376226
PNG
(CHEMBL259922)
Show SMILES Cc1ccc(cc1Nc1ncnc2n(ncc12)-c1ccccc1)C(=O)Nc1ccon1
Show InChI InChI=1S/C22H17N7O2/c1-14-7-8-15(22(30)27-19-9-10-31-28-19)11-18(14)26-20-17-12-25-29(21(17)24-13-23-20)16-5-3-2-4-6-16/h2-13H,1H3,(H,23,24,26)(H,27,28,30)
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated myelin basic protein phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50072612
PNG
(CHEMBL3409584)
Show SMILES OCC(c1cc(Cl)cc(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1/C22H22Cl2N4O3/c23-16-9-15(10-17(24)12-16)20(13-29)28-6-2-14(11-21(28)30)19-1-5-25-22(27-19)26-18-3-7-31-8-4-18/h1-2,5-6,9-12,18,20,29H,3-4,7-8,13H2,(H,25,26,27)
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0.200n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50253105
PNG
(6-Chloro-N-cyclopropyl-7-(1-((S)-3-methylmorpholin...)
Show SMILES CNc1noc2c(c(Cl)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C
Show InChI InChI=1S/C21H20ClN5O2/c1-12-11-28-8-7-27(12)21-15-4-3-13(9-14(15)10-24-25-21)18-17(22)6-5-16-19(18)29-26-20(16)23-2/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,23,26)/t12-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50253148
PNG
(CHEMBL522689 | N-(S)-sec-Butyl-6-(6-methyl-3-(meth...)
Show SMILES CC[C@H](C)Nc1nncc2cc(ccc12)-c1c(C)ccc2c(NC)noc12
Show InChI InChI=1S/C21H23N5O/c1-5-13(3)24-21-16-9-7-14(10-15(16)11-23-25-21)18-12(2)6-8-17-19(18)27-26-20(17)22-4/h6-11,13H,5H2,1-4H3,(H,22,26)(H,24,25)/t13-/m0/s1
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0.200n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50072613
PNG
(CHEMBL3409587)
Show SMILES OC[C@H](c1cccc(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1/C22H23FN4O3/c23-17-3-1-2-16(12-17)20(14-28)27-9-5-15(13-21(27)29)19-4-8-24-22(26-19)25-18-6-10-30-11-7-18/h1-5,8-9,12-13,18,20,28H,6-7,10-11,14H2,(H,24,25,26)/t20-/s2
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0.200n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50376226
PNG
(CHEMBL259922)
Show SMILES Cc1ccc(cc1Nc1ncnc2n(ncc12)-c1ccccc1)C(=O)Nc1ccon1
Show InChI InChI=1S/C22H17N7O2/c1-14-7-8-15(22(30)27-19-9-10-31-28-19)11-18(14)26-20-17-12-25-29(21(17)24-13-23-20)16-5-3-2-4-6-16/h2-13H,1H3,(H,23,24,26)(H,27,28,30)
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated myelin basic protein phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50072599
PNG
(CHEMBL3409589)
Show SMILES OC[C@H](c1ccc(F)c(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1/C22H22ClFN4O3/c23-17-11-15(1-2-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27)/t20-/s2
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0.300n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50072557
PNG
(CHEMBL3409408)
Show SMILES Clc1ccc(Cn2ccc(cc2=O)-c2ccnc(NC3CCOCC3)n2)cc1
Show InChI InChI=1S/C21H21ClN4O2/c22-17-3-1-15(2-4-17)14-26-10-6-16(13-20(26)27)19-5-9-23-21(25-19)24-18-7-11-28-12-8-18/h1-6,9-10,13,18H,7-8,11-12,14H2,(H,23,24,25)
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0.300n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50253150
PNG
(CHEMBL493496 | N,6-Dimethyl-7-(1-((R)-3-methylmorp...)
Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@H]1C
Show InChI InChI=1S/C22H23N5O2/c1-13-4-6-18-20(29-26-21(18)23-3)19(13)15-5-7-17-16(10-15)11-24-25-22(17)27-8-9-28-12-14(27)2/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,23,26)/t14-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50253102
PNG
(6-Methyl-7-(1-((S)-3-methylmorpholino)phthalazin-6...)
Show SMILES C[C@H]1COCCN1c1nncc2cc(ccc12)-c1c(C)ccc2c(N)noc12
Show InChI InChI=1S/C21H21N5O2/c1-12-3-5-17-19(28-25-20(17)22)18(12)14-4-6-16-15(9-14)10-23-24-21(16)26-7-8-27-11-13(26)2/h3-6,9-10,13H,7-8,11H2,1-2H3,(H2,22,25)/t13-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50252776
PNG
(CHEMBL495493 | N-Ethyl-6-methyl-7-(1-((S)-3-methyl...)
Show SMILES CCNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C
Show InChI InChI=1S/C23H25N5O2/c1-4-24-22-19-7-5-14(2)20(21(19)30-27-22)16-6-8-18-17(11-16)12-25-26-23(18)28-9-10-29-13-15(28)3/h5-8,11-12,15H,4,9-10,13H2,1-3H3,(H,24,27)/t15-/m0/s1
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0.300n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM120098
PNG
(US8697715, 57 | US9259470, 57)
Show SMILES OC[C@H](c1cccc(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1S/C22H23ClN4O3/c23-17-3-1-2-16(12-17)20(14-28)27-9-5-15(13-21(27)29)19-4-8-24-22(26-19)25-18-6-10-30-11-7-18/h1-5,8-9,12-13,18,20,28H,6-7,10-11,14H2,(H,24,25,26)/t20-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50072610
PNG
(CHEMBL3409582)
Show SMILES OCC(c1ccc(F)c(Cl)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1/C22H22ClFN4O3/c23-17-11-15(1-2-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27)
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0.300n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM92089
PNG
(erk000517)
Show SMILES Cc1cnc(Nc2ccccn2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H22N6O2/c1-15-12-26-23(28-20-9-5-6-10-24-20)29-21(15)17-11-18(25-13-17)22(31)27-19(14-30)16-7-3-2-4-8-16/h2-13,19,25,30H,14H2,1H3,(H,27,31)(H,24,26,28,29)/t19-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50252735
PNG
(CHEMBL495084 | N-Cyclopropyl-6-methyl-7-(1-o-tolyl...)
Show SMILES Cc1ccccc1-c1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12
Show InChI InChI=1S/C26H22N4O/c1-15-5-3-4-6-20(15)24-21-12-8-17(13-18(21)14-27-29-24)23-16(2)7-11-22-25(23)31-30-26(22)28-19-9-10-19/h3-8,11-14,19H,9-10H2,1-2H3,(H,28,30)
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0.400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50253103
PNG
(7-(1-Isopropoxyphthalazin-6-yl)-N,6-dimethylbenzo[...)
Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(OC(C)C)nncc2c1
Show InChI InChI=1S/C20H20N4O2/c1-11(2)25-20-15-8-6-13(9-14(15)10-22-23-20)17-12(3)5-7-16-18(17)26-24-19(16)21-4/h5-11H,1-4H3,(H,21,24)
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0.400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50072609
PNG
(CHEMBL3409581)
Show SMILES OCC(c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1/C22H22ClFN4O3/c23-17-2-1-15(11-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27)
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0.400n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase ERK2


(Homo sapiens (human))
BDBM50072601
PNG
(CHEMBL3409572)
Show SMILES OCC(c1ccccc1Cl)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1/C22H23ClN4O3/c23-18-4-2-1-3-17(18)20(14-28)27-10-6-15(13-21(27)29)19-5-9-24-22(26-19)25-16-7-11-30-12-8-16/h1-6,9-10,13,16,20,28H,7-8,11-12,14H2,(H,24,25,26)
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0.400n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50253149
PNG
(6-Chloro-N-isopropyl-7-(1-((S)-3-methylmorpholino)...)
Show SMILES CC(C)Nc1noc2c(c(Cl)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C
Show InChI InChI=1S/C23H24ClN5O2/c1-13(2)26-22-18-6-7-19(24)20(21(18)31-28-22)15-4-5-17-16(10-15)11-25-27-23(17)29-8-9-30-12-14(29)3/h4-7,10-11,13-14H,8-9,12H2,1-3H3,(H,26,28)/t14-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50072556
PNG
(CHEMBL3409407)
Show SMILES Clc1cccc(Cn2ccc(cc2=O)-c2ccnc(NC3CCOCC3)n2)c1
Show InChI InChI=1S/C21H21ClN4O2/c22-17-3-1-2-15(12-17)14-26-9-5-16(13-20(26)27)19-4-8-23-21(25-19)24-18-6-10-28-11-7-18/h1-5,8-9,12-13,18H,6-7,10-11,14H2,(H,23,24,25)
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0.400n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50072460
PNG
(CHEMBL3409603)
Show SMILES OC[C@H](c1ccc(Cl)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2COC2)n1
Show InChI InChI=1/C20H18ClFN4O3/c21-15-2-1-13(7-16(15)22)18(9-27)26-6-4-12(8-19(26)28)17-3-5-23-20(25-17)24-14-10-29-11-14/h1-8,14,18,27H,9-11H2,(H,23,24,25)/t18-/s2
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0.400n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50021717
PNG
(CHEMBL3298414)
Show SMILES OC[C@@H](NC(=O)N1CCc2cnc(NC3CCOCC3)nc2C1)c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C21H25ClFN5O3/c22-16-9-13(1-2-17(16)23)19(12-29)27-21(30)28-6-3-14-10-24-20(26-18(14)11-28)25-15-4-7-31-8-5-15/h1-2,9-10,15,19,29H,3-8,11-12H2,(H,27,30)(H,24,25,26)/t19-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase p38


(Homo sapiens (human))
BDBM50252777
PNG
(CHEMBL523374 | N,6-Dimethyl-7-(1-((S)-3-methylmorp...)
Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@@H]1C
Show InChI InChI=1S/C22H23N5O2/c1-13-4-6-18-20(29-26-21(18)23-3)19(13)15-5-7-17-16(10-15)11-24-25-22(17)27-8-9-28-12-14(27)2/h4-7,10-11,14H,8-9,12H2,1-3H3,(H,23,26)/t14-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM92089
PNG
(erk000517)
Show SMILES Cc1cnc(Nc2ccccn2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C23H22N6O2/c1-15-12-26-23(28-20-9-5-6-10-24-20)29-21(15)17-11-18(25-13-17)22(31)27-19(14-30)16-7-3-2-4-8-16/h2-13,19,25,30H,14H2,1H3,(H,27,31)(H,24,26,28,29)/t19-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


D3R 222: (2015)

More data for this
Ligand-Target Pair
MAP kinase p38


(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...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(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...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50376456
PNG
(CHEMBL262592)
Show SMILES CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c2c1C
Show InChI InChI=1S/C28H30FN7O3/c1-4-30-28(38)23-15-36-25(18(23)3)26(31-16-32-36)34-24-14-21(6-5-17(24)2)33-27(37)19-11-20(29)13-22(12-19)35-7-9-39-10-8-35/h5-6,11-16H,4,7-10H2,1-3H3,(H,30,38)(H,33,37)(H,31,32,34)
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0.420n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50376433
PNG
(CHEMBL258895)
Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4ccnc(c4)N4CCOCC4)ccc3C)c2c1C)c1ccccc1
Show InChI InChI=1S/C33H34N8O3/c1-21-9-10-26(38-32(42)25-11-12-34-29(17-25)40-13-15-44-16-14-40)18-28(21)39-31-30-22(2)27(19-41(30)36-20-35-31)33(43)37-23(3)24-7-5-4-6-8-24/h4-12,17-20,23H,13-16H2,1-3H3,(H,37,43)(H,38,42)(H,35,36,39)/t23-/m0/s1
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0.440n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50376434
PNG
(CHEMBL408150)
Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cccc(c4)N4CCOCC4)ccc3C)c2c1C)c1ccccc1
Show InChI InChI=1S/C34H35N7O3/c1-22-12-13-27(38-33(42)26-10-7-11-28(18-26)40-14-16-44-17-15-40)19-30(22)39-32-31-23(2)29(20-41(31)36-21-35-32)34(43)37-24(3)25-8-5-4-6-9-25/h4-13,18-21,24H,14-17H2,1-3H3,(H,37,43)(H,38,42)(H,35,36,39)/t24-/m0/s1
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0.460n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
MAP kinase ERK2


(Homo sapiens (human))
BDBM92083
PNG
(erk000510)
Show SMILES C[C@H]1C[C@H]1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C22H25N5O2/c1-13-8-17(13)26-22-24-10-14(2)20(27-22)16-9-18(23-11-16)21(29)25-19(12-28)15-6-4-3-5-7-15/h3-7,9-11,13,17,19,23,28H,8,12H2,1-2H3,(H,25,29)(H,24,26,27)/t13-,17+,19+/m0/s1
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0.5n/an/an/an/an/an/an/an/a



CSAR



Assay Description
Assay 1 ...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50253147
PNG
(CHEMBL494305 | N-Isopropyl-6-(6-methyl-3-(methylam...)
Show SMILES CNc1noc2c(c(C)ccc12)-c1ccc2c(NC(C)C)nncc2c1
Show InChI InChI=1S/C20H21N5O/c1-11(2)23-20-15-8-6-13(9-14(15)10-22-24-20)17-12(3)5-7-16-18(17)26-25-19(16)21-4/h5-11H,1-4H3,(H,21,25)(H,23,24)
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0.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50252775
PNG
(6-(3-(cyclopropylamino)-6-methylbenzo[d]isoxazol-7...)
Show SMILES CC(C)Nc1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12
Show InChI InChI=1S/C22H23N5O/c1-12(2)24-21-17-9-5-14(10-15(17)11-23-26-21)19-13(3)4-8-18-20(19)28-27-22(18)25-16-6-7-16/h4-5,8-12,16H,6-7H2,1-3H3,(H,24,26)(H,25,27)
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0.5n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM92083
PNG
(erk000510)
Show SMILES C[C@H]1C[C@H]1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C22H25N5O2/c1-13-8-17(13)26-22-24-10-14(2)20(27-22)16-9-18(23-11-16)21(29)25-19(12-28)15-6-4-3-5-7-15/h3-7,9-11,13,17,19,23,28H,8,12H2,1-2H3,(H,25,29)(H,24,26,27)/t13-,17+,19+/m0/s1
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D3R
0.5n/an/an/an/an/an/an/an/a



D3R



Assay Description
Photometric_Method2


D3R 222: (2015)

More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50072608
PNG
(CHEMBL3409580)
Show SMILES OCC(c1ccc(F)c(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1/C22H22F2N4O3/c23-17-2-1-15(11-18(17)24)20(13-29)28-8-4-14(12-21(28)30)19-3-7-25-22(27-19)26-16-5-9-31-10-6-16/h1-4,7-8,11-12,16,20,29H,5-6,9-10,13H2,(H,25,26,27)
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0.5n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase ERK2


(Homo sapiens (human))
BDBM50072611
PNG
(CHEMBL3409583)
Show SMILES OCC(c1cc(F)cc(F)c1)n1ccc(cc1=O)-c1ccnc(NC2CCOCC2)n1
Show InChI InChI=1/C22H22F2N4O3/c23-16-9-15(10-17(24)12-16)20(13-29)28-6-2-14(11-21(28)30)19-1-5-25-22(27-19)26-18-3-7-31-8-4-18/h1-2,5-6,9-12,18,20,29H,3-4,7-8,13H2,(H,25,26,27)
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0.5n/an/an/an/an/an/an/an/a



Array BioPharma Inc

Curated by ChEMBL


Assay Description
Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50376435
PNG
(CHEMBL261845)
Show SMILES C[C@H](NC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4cc(F)cc(c4)N4CCOCC4)ccc3C)c2c1C)c1ccccc1
Show InChI InChI=1S/C34H34FN7O3/c1-21-9-10-27(39-33(43)25-15-26(35)17-28(16-25)41-11-13-45-14-12-41)18-30(21)40-32-31-22(2)29(19-42(31)37-20-36-32)34(44)38-23(3)24-7-5-4-6-8-24/h4-10,15-20,23H,11-14H2,1-3H3,(H,38,44)(H,39,43)(H,36,37,40)/t23-/m0/s1
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0.540n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50314782
PNG
(CHEMBL1089866 | N-Cyclopropyl-3-(1-(2,4-difluoroph...)
Show SMILES CCn1c2n(ncc2cc(-c2cc(ccc2C)C(=O)NC2CC2)c1=O)-c1ccc(F)cc1F
Show InChI InChI=1S/C25H22F2N4O2/c1-3-30-24-16(13-28-31(24)22-9-6-17(26)12-21(22)27)11-20(25(30)33)19-10-15(5-4-14(19)2)23(32)29-18-7-8-18/h4-6,9-13,18H,3,7-8H2,1-2H3,(H,29,32)
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0.600n/an/an/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant p38alpha-mediated AFT2 phosphorylation after 1 hr by HTRF assay


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (human))
BDBM50263211
PNG
(2-Cyclobutylamino-N-[4'-(cyclopropylmethyl-carbamo...)
Show SMILES Cc1ccc(NC(=O)c2ccnc(NC3CCC3)c2)cc1-c1ccc(cc1)C(=O)NCC1CC1
Show InChI InChI=1S/C28H30N4O2/c1-18-5-12-24(32-28(34)22-13-14-29-26(15-22)31-23-3-2-4-23)16-25(18)20-8-10-21(11-9-20)27(33)30-17-19-6-7-19/h5,8-16,19,23H,2-4,6-7,17H2,1H3,(H,29,31)(H,30,33)(H,32,34)
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0.600n/an/an/an/an/an/an/an/a



GlaxoSmithKline R&D

Curated by ChEMBL


Assay Description
Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl...


Citation and Details
More data for this
Ligand-Target Pair
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