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Compile Data Set for Download or QSAR

Found 24 hits with Last Name = 'aaes' and Initial = 'h'   
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))
BDBM50136890
PNG
(CHEMBL152208 | [2-Chloro-4-(4-fluoro-2-methyl-phen...)
Show SMILES Cc1ccccc1C(=O)c1ccc(Nc2ccc(F)cc2C)cc1Cl
Show InChI InChI=1S/C21H17ClFNO/c1-13-5-3-4-6-17(13)21(25)18-9-8-16(12-19(18)22)24-20-10-7-15(23)11-14(20)2/h3-12,24H,1-2H3
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n/an/a 4n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136887
PNG
(CHEMBL356455 | [4-(2-Amino-phenylamino)-2-chloro-p...)
Show SMILES COc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1Cl
Show InChI InChI=1S/C20H17ClN2O2/c1-25-19-9-5-2-6-15(19)20(24)14-11-10-13(12-16(14)21)23-18-8-4-3-7-17(18)22/h2-12,23H,22H2,1H3
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n/an/a 5n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136897
PNG
((2-Chloro-4-phenylamino-phenyl)-o-tolyl-methanone ...)
Show SMILES Cc1ccccc1C(=O)c1ccc(Nc2ccccc2)cc1Cl
Show InChI InChI=1S/C20H16ClNO/c1-14-7-5-6-10-17(14)20(23)18-12-11-16(13-19(18)21)22-15-8-3-2-4-9-15/h2-13,22H,1H3
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n/an/a 7n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136886
PNG
(CHEMBL152767 | [4-(2-Amino-phenylamino)-2-chloro-p...)
Show SMILES Cc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1Cl
Show InChI InChI=1S/C20H17ClN2O/c1-13-6-2-3-7-15(13)20(24)16-11-10-14(12-17(16)21)23-19-9-5-4-8-18(19)22/h2-12,23H,22H2,1H3
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n/an/a 10n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136884
PNG
((2-Chloro-4-o-tolylamino-phenyl)-o-tolyl-methanone...)
Show SMILES Cc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1
Show InChI InChI=1S/C21H18ClNO/c1-14-7-3-5-9-17(14)21(24)18-12-11-16(13-19(18)22)23-20-10-6-4-8-15(20)2/h3-13,23H,1-2H3
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n/an/a 12n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136898
PNG
(CHEMBL152820 | [4-(2-Amino-phenylamino)-2-methyl-p...)
Show SMILES Cc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1C
Show InChI InChI=1S/C21H20N2O/c1-14-7-3-4-8-17(14)21(24)18-12-11-16(13-15(18)2)23-20-10-6-5-9-19(20)22/h3-13,23H,22H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136900
PNG
(1-{2-[3-Chloro-4-(2-methyl-benzoyl)-phenylamino]-p...)
Show SMILES CCNC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1
Show InChI InChI=1S/C23H22ClN3O2/c1-3-25-23(29)27-21-11-7-6-10-20(21)26-16-12-13-18(19(24)14-16)22(28)17-9-5-4-8-15(17)2/h4-14,26H,3H2,1-2H3,(H2,25,27,29)
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n/an/a 21n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM15244
PNG
(5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...)
Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1
Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
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n/an/a 29n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136903
PNG
(CHEMBL357732 | [4-(2-Amino-phenylamino)-phenyl]-o-...)
Show SMILES Cc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1
Show InChI InChI=1S/C20H18N2O/c1-14-6-2-3-7-17(14)20(23)15-10-12-16(13-11-15)22-19-9-5-4-8-18(19)21/h2-13,22H,21H2,1H3
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n/an/a 29n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50099331
PNG
(4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidaz...)
Show SMILES Fc1ccc(cc1)-c1ncn(C2CCNCC2)c1-c1ccncc1
Show InChI InChI=1S/C19H19FN4/c20-16-3-1-14(2-4-16)18-19(15-5-9-21-10-6-15)24(13-23-18)17-7-11-22-12-8-17/h1-6,9-10,13,17,22H,7-8,11-12H2
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n/an/a 38n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136885
PNG
(CHEMBL347496 | [4-(2-Amino-4-bromo-phenylamino)-2-...)
Show SMILES Cc1ccccc1C(=O)c1ccc(Nc2ccc(Br)cc2N)cc1Cl
Show InChI InChI=1S/C20H16BrClN2O/c1-12-4-2-3-5-15(12)20(25)16-8-7-14(11-17(16)22)24-19-9-6-13(21)10-18(19)23/h2-11,24H,23H2,1H3
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n/an/a 39n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136888
PNG
(CHEMBL153012 | {2-[3-Chloro-4-(2-methyl-benzoyl)-p...)
Show SMILES CCOC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1
Show InChI InChI=1S/C23H21ClN2O3/c1-3-29-23(28)26-21-11-7-6-10-20(21)25-16-12-13-18(19(24)14-16)22(27)17-9-5-4-8-15(17)2/h4-14,25H,3H2,1-2H3,(H,26,28)
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n/an/a 42n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136899
PNG
(CHEMBL152440 | [4-(2-Amino-phenylamino)-phenyl]-(2...)
Show SMILES Nc1ccccc1Nc1ccc(cc1)C(=O)c1ccccc1Br
Show InChI InChI=1S/C19H15BrN2O/c20-16-6-2-1-5-15(16)19(23)13-9-11-14(12-10-13)22-18-8-4-3-7-17(18)21/h1-12,22H,21H2
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n/an/a 54n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136901
PNG
(CHEMBL422510 | N-{2-[3-Chloro-4-(2-methyl-benzoyl)...)
Show SMILES CC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1
Show InChI InChI=1S/C22H19ClN2O2/c1-14-7-3-4-8-17(14)22(27)18-12-11-16(13-19(18)23)25-21-10-6-5-9-20(21)24-15(2)26/h3-13,25H,1-2H3,(H,24,26)
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n/an/a 63n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136895
PNG
(CHEMBL347770 | {4-[(2-Amino-phenyl)-methyl-amino]-...)
Show SMILES CN(c1ccc(C(=O)c2ccccc2C)c(Cl)c1)c1ccccc1N
Show InChI InChI=1S/C21H19ClN2O/c1-14-7-3-4-8-16(14)21(25)17-12-11-15(13-18(17)22)24(2)20-10-6-5-9-19(20)23/h3-13H,23H2,1-2H3
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n/an/a 101n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136902
PNG
(CHEMBL155448 | [4-(2-Amino-phenylamino)-2-chloro-p...)
Show SMILES Nc1ccccc1Nc1ccc(C(=O)c2ccccc2)c(Cl)c1
Show InChI InChI=1S/C19H15ClN2O/c20-16-12-14(22-18-9-5-4-8-17(18)21)10-11-15(16)19(23)13-6-2-1-3-7-13/h1-12,22H,21H2
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n/an/a 139n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136896
PNG
(CHEMBL356157 | [4-(2-Amino-phenylamino)-3-methyl-p...)
Show SMILES Cc1ccccc1C(=O)c1ccc(Nc2ccccc2N)c(C)c1
Show InChI InChI=1S/C21H20N2O/c1-14-7-3-4-8-17(14)21(24)16-11-12-19(15(2)13-16)23-20-10-6-5-9-18(20)22/h3-13,23H,22H2,1-2H3
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n/an/a 143n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136882
PNG
(CHEMBL152596 | [4-(2-Amino-phenylamino)-phenyl]-ph...)
Show SMILES Nc1ccccc1Nc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C19H16N2O/c20-17-8-4-5-9-18(17)21-16-12-10-15(11-13-16)19(22)14-6-2-1-3-7-14/h1-13,21H,20H2
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n/an/a 145n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136891
PNG
(CHEMBL152349 | Phenyl-(4-phenylamino-phenyl)-metha...)
Show SMILES O=C(c1ccccc1)c1ccc(Nc2ccccc2)cc1
Show InChI InChI=1S/C19H15NO/c21-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)20-17-9-5-2-6-10-17/h1-14,20H
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n/an/a 193n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136883
PNG
(CHEMBL347576 | [2-Chloro-4-(2-nitro-phenylamino)-p...)
Show SMILES Cc1ccccc1C(=O)c1ccc(Nc2ccccc2[N+]([O-])=O)cc1Cl
Show InChI InChI=1S/C20H15ClN2O3/c1-13-6-2-3-7-15(13)20(24)16-11-10-14(12-17(16)21)22-18-8-4-5-9-19(18)23(25)26/h2-12,22H,1H3
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n/an/a 437n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136893
PNG
(CHEMBL152209 | [4-(2-Amino-phenylamino)-phenyl]-m-...)
Show SMILES Cc1cccc(c1)C(=O)c1ccc(Nc2ccccc2N)cc1
Show InChI InChI=1S/C20H18N2O/c1-14-5-4-6-16(13-14)20(23)15-9-11-17(12-10-15)22-19-8-3-2-7-18(19)21/h2-13,22H,21H2,1H3
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n/an/a 574n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136892
PNG
(CHEMBL356809 | [4-(2-Amino-phenylamino)-phenyl]-bi...)
Show SMILES Nc1ccccc1Nc1ccc(cc1)C(=O)c1ccccc1-c1ccccc1
Show InChI InChI=1S/C25H20N2O/c26-23-12-6-7-13-24(23)27-20-16-14-19(15-17-20)25(28)22-11-5-4-10-21(22)18-8-2-1-3-9-18/h1-17,27H,26H2
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n/an/a 811n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136889
PNG
(CHEMBL152403 | N-[3-Chloro-4-(1-o-tolyl-vinyl)-phe...)
Show SMILES Cc1ccccc1C(=C)c1ccc(Nc2ccccc2N)cc1Cl
Show InChI InChI=1S/C21H19ClN2/c1-14-7-3-4-8-17(14)15(2)18-12-11-16(13-19(18)22)24-21-10-6-5-9-20(21)23/h3-13,24H,2,23H2,1H3
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n/an/a 1.55E+3n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50136894
PNG
(CHEMBL153795 | N*1*-[3-Chloro-4-(2-methyl-benzyl)-...)
Show SMILES Cc1ccccc1Cc1ccc(Nc2ccc(F)cc2N)cc1Cl
Show InChI InChI=1S/C20H18ClFN2/c1-13-4-2-3-5-14(13)10-15-6-8-17(12-18(15)21)24-20-9-7-16(22)11-19(20)23/h2-9,11-12,24H,10,23H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



LEO Pharma

Curated by ChEMBL


Assay Description
In vitro inhibitory activity determined against human mitogen-activated protein kinase p38 alpha


J Med Chem 46: 5651-62 (2003)


Article DOI: 10.1021/jm030851s
BindingDB Entry DOI: 10.7270/Q2B56KFK
More data for this
Ligand-Target Pair