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Compile Data Set for Download or QSAR

Found 129 hits with Last Name = 'agarwal' and Initial = 'l'   
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
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071884
PNG
(4-[2-(3,4-Difluoro-phenyl)-5-phenyl-1H-pyrrol-3-yl...)
Show SMILES Fc1ccc(cc1F)-c1[nH]c(cc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C21H14F2N2/c22-18-7-6-16(12-19(18)23)21-17(14-8-10-24-11-9-14)13-20(25-21)15-4-2-1-3-5-15/h1-13,25H
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n/an/a 4.40n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50071873
PNG
(4-[2-(4-Fluoro-phenyl)-5-(4-methanesulfinyl-phenyl...)
Show SMILES CS(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C22H17FN2OS/c1-27(26)19-8-4-16(5-9-19)21-14-20(15-10-12-24-13-11-15)22(25-21)17-2-6-18(23)7-3-17/h2-14,25H,1H3
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n/an/a 5n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071873
PNG
(4-[2-(4-Fluoro-phenyl)-5-(4-methanesulfinyl-phenyl...)
Show SMILES CS(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C22H17FN2OS/c1-27(26)19-8-4-16(5-9-19)21-14-20(15-10-12-24-13-11-15)22(25-21)17-2-6-18(23)7-3-17/h2-14,25H,1H3
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n/an/a 5.10n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071896
PNG
(4-[2-(4-Fluoro-phenyl)-5-(4-methanesulfinyl-phenyl...)
Show SMILES Cc1cc(ccn1)-c1cc([nH]c1-c1ccc(F)cc1)-c1ccc(cc1)S(C)=O
Show InChI InChI=1S/C23H19FN2OS/c1-15-13-18(11-12-25-15)21-14-22(16-5-9-20(10-6-16)28(2)27)26-23(21)17-3-7-19(24)8-4-17/h3-14,26H,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071903
PNG
(4-[5-(4-Nitro-phenyl)-2-phenyl-1H-pyrrol-3-yl]-pyr...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C21H15N3O2/c25-24(26)18-8-6-16(7-9-18)20-14-19(15-10-12-22-13-11-15)21(23-20)17-4-2-1-3-5-17/h1-14,23H
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n/an/a 6.10n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens)
BDBM50071873
PNG
(4-[2-(4-Fluoro-phenyl)-5-(4-methanesulfinyl-phenyl...)
Show SMILES CS(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C22H17FN2OS/c1-27(26)19-8-4-16(5-9-19)21-14-20(15-10-12-24-13-11-15)22(25-21)17-2-6-18(23)7-3-17/h2-14,25H,1H3
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n/an/a 8.10n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 beta


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM50071867
PNG
(4-[2-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C22H17FN2O2S/c1-28(26,27)19-8-4-16(5-9-19)21-14-20(15-10-12-24-13-11-15)22(25-21)17-2-6-18(23)7-3-17/h2-14,25H,1H3
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n/an/a 9n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071867
PNG
(4-[2-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C22H17FN2O2S/c1-28(26,27)19-8-4-16(5-9-19)21-14-20(15-10-12-24-13-11-15)22(25-21)17-2-6-18(23)7-3-17/h2-14,25H,1H3
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n/an/a 9.80n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens)
BDBM50071867
PNG
(4-[2-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C22H17FN2O2S/c1-28(26,27)19-8-4-16(5-9-19)21-14-20(15-10-12-24-13-11-15)22(25-21)17-2-6-18(23)7-3-17/h2-14,25H,1H3
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 beta


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071915
PNG
(4-[2-(4-Fluoro-phenyl)-5-phenyl-1H-pyrrol-3-yl]-py...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(cc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C21H15FN2/c22-18-8-6-17(7-9-18)21-19(15-10-12-23-13-11-15)14-20(24-21)16-4-2-1-3-5-16/h1-14,24H
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n/an/a 12n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071910
PNG
(4-(5-Phenyl-4-pyridin-4-yl-1H-pyrrol-2-yl)-benzoic...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C22H16N2O2/c25-22(26)18-8-6-16(7-9-18)20-14-19(15-10-12-23-13-11-15)21(24-20)17-4-2-1-3-5-17/h1-14,24H,(H,25,26)
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n/an/a 14n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071919
PNG
(4-(2,5-Diphenyl-1H-pyrrol-3-yl)-pyridine | CHEMBL4...)
Show SMILES c1c([nH]c(c1-c1ccncc1)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H16N2/c1-3-7-17(8-4-1)20-15-19(16-11-13-22-14-12-16)21(23-20)18-9-5-2-6-10-18/h1-15,23H
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071911
PNG
(4-[5-(4-Fluoro-phenyl)-2-phenyl-1H-pyrrol-3-yl]-py...)
Show SMILES Fc1ccc(cc1)-c1cc(c([nH]1)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C21H15FN2/c22-18-8-6-16(7-9-18)20-14-19(15-10-12-23-13-11-15)21(24-20)17-4-2-1-3-5-17/h1-14,24H
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n/an/a 17n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071912
PNG
(4-[2-(4-Chloro-phenyl)-5-phenyl-1H-pyrrol-3-yl]-py...)
Show SMILES Clc1ccc(cc1)-c1[nH]c(cc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C21H15ClN2/c22-18-8-6-17(7-9-18)21-19(15-10-12-23-13-11-15)14-20(24-21)16-4-2-1-3-5-16/h1-14,24H
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n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50077960
PNG
(4-[5-(3,4-Dichloro-phenyl)-2-phenyl-3H-imidazol-4-...)
Show SMILES Clc1ccc(cc1Cl)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C20H13Cl2N3/c21-16-7-6-15(12-17(16)22)19-18(13-8-10-23-11-9-13)24-20(25-19)14-4-2-1-3-5-14/h1-12H,(H,24,25)
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n/an/a 20n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human RAF proto-oncogene serine/threonine-protein kinase


J Med Chem 42: 2180-90 (1999)


Article DOI: 10.1021/jm9805236
BindingDB Entry DOI: 10.7270/Q2Q81C8D
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50077961
PNG
(3-(2-Phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-pheno...)
Show SMILES Oc1cccc(c1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c24-17-8-4-7-16(13-17)19-18(14-9-11-21-12-10-14)22-20(23-19)15-5-2-1-3-6-15/h1-13,24H,(H,22,23)
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human RAF proto-oncogene serine/threonine-protein kinase


J Med Chem 42: 2180-90 (1999)


Article DOI: 10.1021/jm9805236
BindingDB Entry DOI: 10.7270/Q2Q81C8D
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50071867
PNG
(4-[2-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C22H17FN2O2S/c1-28(26,27)19-8-4-16(5-9-19)21-14-20(15-10-12-24-13-11-15)22(25-21)17-2-6-18(23)7-3-17/h2-14,25H,1H3
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n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF alpha release from human monocytes


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071906
PNG
(4-(5-Phenyl-4-pyridin-4-yl-1H-pyrrol-2-yl)-phenyla...)
Show SMILES Nc1ccc(cc1)-c1cc(c([nH]1)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C21H17N3/c22-18-8-6-16(7-9-18)20-14-19(15-10-12-23-13-11-15)21(24-20)17-4-2-1-3-5-17/h1-14,24H,22H2
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071914
PNG
(4-[2-(2,4-Difluoro-phenyl)-5-phenyl-1H-pyrrol-3-yl...)
Show SMILES Fc1ccc(-c2[nH]c(cc2-c2ccncc2)-c2ccccc2)c(F)c1
Show InChI InChI=1S/C21H14F2N2/c22-16-6-7-17(19(23)12-16)21-18(14-8-10-24-11-9-14)13-20(25-21)15-4-2-1-3-5-15/h1-13,25H
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50077957
PNG
(4-[2-Cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)C1CCCCC1
Show InChI InChI=1S/C20H20FN3/c21-17-8-6-14(7-9-17)18-19(15-10-12-22-13-11-15)24-20(23-18)16-4-2-1-3-5-16/h6-13,16H,1-5H2,(H,23,24)
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of c-Jun N-terminal kinase 2-alpha 1


J Med Chem 42: 2180-90 (1999)


Article DOI: 10.1021/jm9805236
BindingDB Entry DOI: 10.7270/Q2Q81C8D
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071891
PNG
(4-[2-(3-Chloro-phenyl)-5-phenyl-1H-pyrrol-3-yl]-py...)
Show SMILES Clc1cccc(c1)-c1[nH]c(cc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C21H15ClN2/c22-18-8-4-7-17(13-18)21-19(15-9-11-23-12-10-15)14-20(24-21)16-5-2-1-3-6-16/h1-14,24H
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071897
PNG
(4-[2-(3,4-Dichloro-phenyl)-5-phenyl-1H-pyrrol-3-yl...)
Show SMILES Clc1ccc(cc1Cl)-c1[nH]c(cc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C21H14Cl2N2/c22-18-7-6-16(12-19(18)23)21-17(14-8-10-24-11-9-14)13-20(25-21)15-4-2-1-3-5-15/h1-13,25H
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071877
PNG
(4-[5-(2-Fluoro-phenyl)-2-phenyl-1H-pyrrol-3-yl]-py...)
Show SMILES Fc1ccccc1-c1cc(c([nH]1)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C21H15FN2/c22-19-9-5-4-8-17(19)20-14-18(15-10-12-23-13-11-15)21(24-20)16-6-2-1-3-7-16/h1-14,24H
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n/an/a 34n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071907
PNG
(2-(4-Chloro-phenyl)-4-(4-fluoro-phenyl)-5-pyridin-...)
Show SMILES Fc1ccc(cc1)-c1c([nH]n(-c2ccc(Cl)cc2)c1=O)-c1ccncc1
Show InChI InChI=1S/C20H13ClFN3O/c21-15-3-7-17(8-4-15)25-20(26)18(13-1-5-16(22)6-2-13)19(24-25)14-9-11-23-12-10-14/h1-12,24H
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n/an/a 35n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 39n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 alpha


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071888
PNG
(4-[5-(3-Fluoro-phenyl)-2-phenyl-1H-pyrrol-3-yl]-py...)
Show SMILES Fc1cccc(c1)-c1cc(c([nH]1)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C21H15FN2/c22-18-8-4-7-17(13-18)20-14-19(15-9-11-23-12-10-15)21(24-20)16-5-2-1-3-6-16/h1-14,24H
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n/an/a 42n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071894
PNG
(4-[2-(4-Fluoro-phenyl)-5-(4-methylsulfanyl-phenyl)...)
Show SMILES CSc1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C22H17FN2S/c1-26-19-8-4-16(5-9-19)21-14-20(15-10-12-24-13-11-15)22(25-21)17-2-6-18(23)7-3-17/h2-14,25H,1H3
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n/an/a 44n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071892
PNG
(3-(5-Phenyl-3-pyridin-4-yl-1H-pyrrol-2-yl)-benzoni...)
Show SMILES N#Cc1cccc(c1)-c1[nH]c(cc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C22H15N3/c23-15-16-5-4-8-19(13-16)22-20(17-9-11-24-12-10-17)14-21(25-22)18-6-2-1-3-7-18/h1-14,25H
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n/an/a 53n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071917
PNG
(4-[5-(3-Nitro-phenyl)-2-phenyl-1H-pyrrol-3-yl]-pyr...)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1cc(c([nH]1)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C21H15N3O2/c25-24(26)18-8-4-7-17(13-18)20-14-19(15-9-11-22-12-10-15)21(23-20)16-5-2-1-3-6-16/h1-14,23H
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Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50077974
PNG
(4-(4-(4-chlorophenyl)-2-phenyl-1H-imidazol-5-yl)py...)
Show SMILES Clc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C20H14ClN3/c21-17-8-6-14(7-9-17)18-19(15-10-12-22-13-11-15)24-20(23-18)16-4-2-1-3-5-16/h1-13H,(H,23,24)
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n/an/a 56n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human RAF proto-oncogene serine/threonine-protein kinase


J Med Chem 42: 2180-90 (1999)


Article DOI: 10.1021/jm9805236
BindingDB Entry DOI: 10.7270/Q2Q81C8D
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071913
PNG
(4-[2-(4-Fluoro-phenyl)-5-(4-methoxy-phenyl)-1H-pyr...)
Show SMILES COc1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C22H17FN2O/c1-26-19-8-4-16(5-9-19)21-14-20(15-10-12-24-13-11-15)22(25-21)17-2-6-18(23)7-3-17/h2-14,25H,1H3
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071916
PNG
(4-[2,5-Bis-(4-fluoro-phenyl)-1H-pyrrol-3-yl]-pyrid...)
Show SMILES Fc1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H14F2N2/c22-17-5-1-15(2-6-17)20-13-19(14-9-11-24-12-10-14)21(25-20)16-3-7-18(23)8-4-16/h1-13,25H
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50071873
PNG
(4-[2-(4-Fluoro-phenyl)-5-(4-methanesulfinyl-phenyl...)
Show SMILES CS(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C22H17FN2OS/c1-27(26)19-8-4-16(5-9-19)21-14-20(15-10-12-24-13-11-15)22(25-21)17-2-6-18(23)7-3-17/h2-14,25H,1H3
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n/an/a 65n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of c-Jun N-terminal kinase 2-beta 1


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens)
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 78n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of Mitogen-activated protein kinase p38 beta


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071885
PNG
(4-[2-(4-Chloro-phenyl)-5-(4-fluoro-phenyl)-3H-imid...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H13ClFN3/c21-16-5-1-15(2-6-16)20-24-18(13-3-7-17(22)8-4-13)19(25-20)14-9-11-23-12-10-14/h1-12H,(H,24,25)
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50077958
PNG
(4-[5-(4-Fluoro-phenyl)-2-piperidin-4-yl-3H-imidazo...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)C1CCNCC1
Show InChI InChI=1S/C19H19FN4/c20-16-3-1-13(2-4-16)17-18(14-5-9-21-10-6-14)24-19(23-17)15-7-11-22-12-8-15/h1-6,9-10,15,22H,7-8,11-12H2,(H,23,24)
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n/an/a 80n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human RAF proto-oncogene serine/threonine-protein kinase


J Med Chem 42: 2180-90 (1999)


Article DOI: 10.1021/jm9805236
BindingDB Entry DOI: 10.7270/Q2Q81C8D
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071868
PNG
(4-(4-Fluoro-phenyl)-2-(4-methanesulfinyl-phenyl)-5...)
Show SMILES CS(=O)c1ccc(cc1)-n1[nH]c(c(-c2ccc(F)cc2)c1=O)-c1ccncc1
Show InChI InChI=1S/C21H16FN3O2S/c1-28(27)18-8-6-17(7-9-18)25-21(26)19(14-2-4-16(22)5-3-14)20(24-25)15-10-12-23-13-11-15/h2-13,24H,1H3
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n/an/a 83n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38


(Homo sapiens (Human)-Homo sapiens (human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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n/an/a 83n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibition of LPS-induced p38-related TNF alpha release from human monocytes


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50077964
PNG
(4-(2-Phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-benzo...)
Show SMILES N#Cc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C21H14N4/c22-14-15-6-8-16(9-7-15)19-20(17-10-12-23-13-11-17)25-21(24-19)18-4-2-1-3-5-18/h1-13H,(H,24,25)
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n/an/a 86n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human RAF proto-oncogene serine/threonine-protein kinase


J Med Chem 42: 2180-90 (1999)


Article DOI: 10.1021/jm9805236
BindingDB Entry DOI: 10.7270/Q2Q81C8D
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50237712
PNG
(4-(4-(3-chlorophenyl)-2-phenyl-1H-imidazol-5-yl)py...)
Show SMILES Clc1cccc(c1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C20H14ClN3/c21-17-8-4-7-16(13-17)19-18(14-9-11-22-12-10-14)23-20(24-19)15-5-2-1-3-6-15/h1-13H,(H,23,24)
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n/an/a 90n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human RAF proto-oncogene serine/threonine-protein kinase


J Med Chem 42: 2180-90 (1999)


Article DOI: 10.1021/jm9805236
BindingDB Entry DOI: 10.7270/Q2Q81C8D
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071882
PNG
(4-(5-Phenyl-4-pyridin-4-yl-1H-pyrrol-2-yl)-N-(2-pi...)
Show SMILES O=C(NCCN1CCCCC1)c1ccc(cc1)-c1cc(c([nH]1)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C29H30N4O/c34-29(31-17-20-33-18-5-2-6-19-33)25-11-9-23(10-12-25)27-21-26(22-13-15-30-16-14-22)28(32-27)24-7-3-1-4-8-24/h1,3-4,7-16,21,32H,2,5-6,17-20H2,(H,31,34)
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n/an/a 97n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50077951
PNG
(CHEMBL68572 | [4-(2,5-Diphenyl-3H-imidazol-4-yl)-p...)
Show SMILES COc1ccc(CNc2nccc(n2)-c2nc([nH]c2-c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C27H23N5O/c1-33-22-14-12-19(13-15-22)18-29-27-28-17-16-23(30-27)25-24(20-8-4-2-5-9-20)31-26(32-25)21-10-6-3-7-11-21/h2-17H,18H2,1H3,(H,31,32)(H,28,29,30)
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n/an/a 98n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of c-Jun N-terminal kinase 2-alpha 1


J Med Chem 42: 2180-90 (1999)


Article DOI: 10.1021/jm9805236
BindingDB Entry DOI: 10.7270/Q2Q81C8D
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071908
PNG
(4-[5-(4-Bromo-phenyl)-2-(4-fluoro-phenyl)-1H-pyrro...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(cc1-c1ccncc1)-c1ccc(Br)cc1
Show InChI InChI=1S/C21H14BrFN2/c22-17-5-1-15(2-6-17)20-13-19(14-9-11-24-12-10-14)21(25-20)16-3-7-18(23)8-4-16/h1-13,25H
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n/an/a 100n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50077979
PNG
(4-[5-(4-Fluoro-phenyl)-2-piperidin-3-yl-3H-imidazo...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)C1CCCNC1
Show InChI InChI=1S/C19H19FN4/c20-16-5-3-13(4-6-16)17-18(14-7-10-21-11-8-14)24-19(23-17)15-2-1-9-22-12-15/h3-8,10-11,15,22H,1-2,9,12H2,(H,23,24)
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n/an/a 110n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human RAF proto-oncogene serine/threonine-protein kinase


J Med Chem 42: 2180-90 (1999)


Article DOI: 10.1021/jm9805236
BindingDB Entry DOI: 10.7270/Q2Q81C8D
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071886
PNG
(4-[2-(4-Fluoro-phenyl)-5-(4-methanesulfinyl-phenyl...)
Show SMILES CS(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccc(F)cc1)-c1ccnc2ccccc12
Show InChI InChI=1S/C26H19FN2OS/c1-31(30)20-12-8-17(9-13-20)25-16-23(26(29-25)18-6-10-19(27)11-7-18)21-14-15-28-24-5-3-2-4-22(21)24/h2-16,29H,1H3
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n/an/a 114n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071901
PNG
(4-(5-Phenyl-2-thiophen-2-yl-1H-pyrrol-3-yl)-pyridi...)
Show SMILES c1csc(c1)-c1[nH]c(cc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C19H14N2S/c1-2-5-15(6-3-1)17-13-16(14-8-10-20-11-9-14)19(21-17)18-7-4-12-22-18/h1-13,21H
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50077963
PNG
(4-(2,5-Diphenyl-3H-imidazol-4-yl)-pyridine | CHEMB...)
Show SMILES c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C20H15N3/c1-3-7-15(8-4-1)18-19(16-11-13-21-14-12-16)23-20(22-18)17-9-5-2-6-10-17/h1-14H,(H,22,23)
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of c-Jun N-terminal kinase 2-alpha 1


J Med Chem 42: 2180-90 (1999)


Article DOI: 10.1021/jm9805236
BindingDB Entry DOI: 10.7270/Q2Q81C8D
More data for this
Ligand-Target Pair
MAP kinase p38 alpha


(Rattus norvegicus)
BDBM50071905
PNG
(4-(5-Phenyl-4-pyridin-4-yl-1H-pyrrol-2-yl)-benzoic...)
Show SMILES CCOC(=O)c1ccc(cc1)-c1cc(c([nH]1)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C24H20N2O2/c1-2-28-24(27)20-10-8-18(9-11-20)22-16-21(17-12-14-25-15-13-17)23(26-22)19-6-4-3-5-7-19/h3-16,26H,2H2,1H3
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratory

Curated by ChEMBL


Assay Description
Inhibitory potency evaluated against rat p38 kinase


Bioorg Med Chem Lett 8: 2689-94 (1999)


Article DOI: 10.1016/s0960-894x(98)00495-8
BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
C-RAF


(Homo sapiens (human))
BDBM50077957
PNG
(4-[2-Cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)C1CCCCC1
Show InChI InChI=1S/C20H20FN3/c21-17-8-6-14(7-9-17)18-19(15-10-12-22-13-11-15)24-20(23-18)16-4-2-1-3-5-16/h6-13,16H,1-5H2,(H,23,24)
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n/an/a 135n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant human RAF proto-oncogene serine/threonine-protein kinase


J Med Chem 42: 2180-90 (1999)


Article DOI: 10.1021/jm9805236
BindingDB Entry DOI: 10.7270/Q2Q81C8D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50077979
PNG
(4-[5-(4-Fluoro-phenyl)-2-piperidin-3-yl-3H-imidazo...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)C1CCCNC1
Show InChI InChI=1S/C19H19FN4/c20-16-5-3-13(4-6-16)17-18(14-7-10-21-11-8-14)24-19(23-17)15-2-1-9-22-12-15/h3-8,10-11,15,22H,1-2,9,12H2,(H,23,24)
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n/an/a 140n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of c-Jun N-terminal kinase 2-alpha 1


J Med Chem 42: 2180-90 (1999)


Article DOI: 10.1021/jm9805236
BindingDB Entry DOI: 10.7270/Q2Q81C8D
More data for this
Ligand-Target Pair
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