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Compile Data Set for Download or QSAR

Found 167 hits with Last Name = 'hanlon' and Initial = 'w'   
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
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50187039
PNG
(1-(3,4-dichlorobenzyl)-5-hydroxy-1H-indole-2-carbo...)
Show SMILES OC(=O)c1cc2cc(O)ccc2n1Cc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H11Cl2NO3/c17-12-3-1-9(5-13(12)18)8-19-14-4-2-11(20)6-10(14)7-15(19)16(21)22/h1-7,20H,8H2,(H,21,22)
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29n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in CHO cells


Bioorg Med Chem Lett 16: 3735-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.045
BindingDB Entry DOI: 10.7270/Q2N01645
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50091438
PNG
((E)-3-(3,4-Dichloro-phenyl)-N-{5-[4-(5-hydroxy-1H-...)
Show SMILES Oc1ccc2[nH]cc(C3CCN(CCCCCNC(=O)\C=C\c4ccc(Cl)c(Cl)c4)CC3)c2c1
Show InChI InChI=1S/C27H31Cl2N3O2/c28-24-7-4-19(16-25(24)29)5-9-27(34)30-12-2-1-3-13-32-14-10-20(11-15-32)23-18-31-26-8-6-21(33)17-22(23)26/h4-9,16-18,20,31,33H,1-3,10-15H2,(H,30,34)/b9-5+
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50n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in CHO cells


Bioorg Med Chem Lett 16: 3735-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.045
BindingDB Entry DOI: 10.7270/Q2N01645
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50187051
PNG
((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-((3-(dime...)
Show SMILES CN(C)CCCN(C)[C@H](C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C23H27F6N3O/c1-31(2)10-7-11-32(3)20(17-8-5-4-6-9-17)21(33)30-15-16-12-18(22(24,25)26)14-19(13-16)23(27,28)29/h4-6,8-9,12-14,20H,7,10-11,15H2,1-3H3,(H,30,33)/t20-/m0/s1
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n/an/a 8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in CHO cells


Bioorg Med Chem Lett 16: 3735-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.045
BindingDB Entry DOI: 10.7270/Q2N01645
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(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 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)


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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(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 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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50187050
PNG
((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(3-(dimet...)
Show SMILES CN(C)CCC=N[C@H](C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |w:5.4|
Show InChI InChI=1S/C22H23F6N3O/c1-31(2)10-6-9-29-19(16-7-4-3-5-8-16)20(32)30-14-15-11-17(21(23,24)25)13-18(12-15)22(26,27)28/h3-5,7-9,11-13,19H,6,10,14H2,1-2H3,(H,30,32)/t19-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in CHO cells


Bioorg Med Chem Lett 16: 3735-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.045
BindingDB Entry DOI: 10.7270/Q2N01645
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50187046
PNG
((S)-N-(3,5-bis(trifluoromethyl)benzyl)-5-(dimethyl...)
Show SMILES CN(C)CCC[C@H](C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C22H24F6N2O/c1-30(2)10-6-9-19(16-7-4-3-5-8-16)20(31)29-14-15-11-17(21(23,24)25)13-18(12-15)22(26,27)28/h3-5,7-8,11-13,19H,6,9-10,14H2,1-2H3,(H,29,31)/t19-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in CHO cells


Bioorg Med Chem Lett 16: 3735-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.045
BindingDB Entry DOI: 10.7270/Q2N01645
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(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
RAF proto-oncogene serine/threonine-protein kinase


(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
Mitogen-activated protein kinase 11/12/13/14


(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 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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50187047
PNG
((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(dimet...)
Show SMILES CN(C)CCS[C@H](C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C21H22F6N2OS/c1-29(2)8-9-31-18(15-6-4-3-5-7-15)19(30)28-13-14-10-16(20(22,23)24)12-17(11-14)21(25,26)27/h3-7,10-12,18H,8-9,13H2,1-2H3,(H,28,30)/t18-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in CHO cells


Bioorg Med Chem Lett 16: 3735-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.045
BindingDB Entry DOI: 10.7270/Q2N01645
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


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
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50187033
PNG
((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piper...)
Show SMILES FC(F)(F)c1cc(CNC(=O)[C@@H](NCCN2CCCCC2)c2ccsc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C22H25F6N3OS/c23-21(24,25)17-10-15(11-18(12-17)22(26,27)28)13-30-20(32)19(16-4-9-33-14-16)29-5-8-31-6-2-1-3-7-31/h4,9-12,14,19,29H,1-3,5-8,13H2,(H,30,32)/t19-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to CCR2 in human monocytes


Bioorg Med Chem Lett 16: 3735-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.045
BindingDB Entry DOI: 10.7270/Q2N01645
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50187043
PNG
(1'-{2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl}-6...)
Show SMILES Cc1ccc2NC(=O)OC3(CCN(CCc4coc(n4)-c4ccc(F)cc4)CC3)c2c1
Show InChI InChI=1S/C24H24FN3O3/c1-16-2-7-21-20(14-16)24(31-23(29)27-21)9-12-28(13-10-24)11-8-19-15-30-22(26-19)17-3-5-18(25)6-4-17/h2-7,14-15H,8-13H2,1H3,(H,27,29)
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n/an/a 32n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in CHO cells


Bioorg Med Chem Lett 16: 3735-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.045
BindingDB Entry DOI: 10.7270/Q2N01645
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50187033
PNG
((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piper...)
Show SMILES FC(F)(F)c1cc(CNC(=O)[C@@H](NCCN2CCCCC2)c2ccsc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C22H25F6N3OS/c23-21(24,25)17-10-15(11-18(12-17)22(26,27)28)13-30-20(32)19(16-4-9-33-14-16)29-5-8-31-6-2-1-3-7-31/h4,9-12,14,19,29H,1-3,5-8,13H2,(H,30,32)/t19-/m0/s1
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n/an/a 39n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]MCP1 from human CCR2 expressed in CHO cells


Bioorg Med Chem Lett 16: 3735-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.045
BindingDB Entry DOI: 10.7270/Q2N01645
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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50187033
PNG
((S)-N-(3,5-bis(trifluoromethyl)benzyl)-2-(2-(piper...)
Show SMILES FC(F)(F)c1cc(CNC(=O)[C@@H](NCCN2CCCCC2)c2ccsc2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C22H25F6N3OS/c23-21(24,25)17-10-15(11-18(12-17)22(26,27)28)13-30-20(32)19(16-4-9-33-14-16)29-5-8-31-6-2-1-3-7-31/h4,9-12,14,19,29H,1-3,5-8,13H2,(H,30,32)/t19-/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity against CCR2 assessed as inhibition of MCP1-induced calcium flux in human monocytes


Bioorg Med Chem Lett 16: 3735-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.045
BindingDB Entry DOI: 10.7270/Q2N01645
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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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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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(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
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(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 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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11


(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 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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(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
Mitogen-activated protein kinase 14


(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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 11/12/13/14


(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 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)


BindingDB Entry DOI: 10.7270/Q27D2T9N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
RAF proto-oncogene serine/threonine-protein kinase


(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
RAF proto-oncogene serine/threonine-protein kinase


(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
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