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PubMed code 10377223

Compile data set for download or QSAR
Found 57 hits of Enzyme Inhibition Constant Data   
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-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
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
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
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
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
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
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
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
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
Mitogen-activated protein kinase 9


(Homo sapiens (human))
BDBM50077977
PNG
(4-(2,4-diphenyl-1H-imidazol-5-yl)-N-methylpyrimidi...)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H17N5/c1-21-20-22-13-12-16(23-20)18-17(14-8-4-2-5-9-14)24-19(25-18)15-10-6-3-7-11-15/h2-13H,1H3,(H,24,25)(H,21,22,23)
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n/an/a 175n/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 9


(Homo sapiens (human))
BDBM50077962
PNG
(4-(2,5-Diphenyl-3H-imidazol-4-yl)-pyrimidin-2-ylam...)
Show SMILES Nc1nccc(n1)-c1nc([nH]c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H15N5/c20-19-21-12-11-15(22-19)17-16(13-7-3-1-4-8-13)23-18(24-17)14-9-5-2-6-10-14/h1-12H,(H,23,24)(H2,20,21,22)
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n/an/a 180n/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 9


(Homo sapiens (human))
BDBM50053410
PNG
(4-(4-Fluorophenyl)-5-(pyridin-4-yl)-1H-imidazole |...)
Show SMILES Fc1ccc(cc1)-c1[nH]cnc1-c1ccncc1
Show InChI InChI=1S/C14H10FN3/c15-12-3-1-10(2-4-12)13-14(18-9-17-13)11-5-7-16-8-6-11/h1-9H,(H,17,18)
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n/an/a 195n/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
C-RAF


(Homo sapiens (human))
BDBM50077967
PNG
(4-(4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl)p...)
Show SMILES COc1cccc(c1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C21H17N3O/c1-25-18-9-5-8-17(14-18)20-19(15-10-12-22-13-11-15)23-21(24-20)16-6-3-2-4-7-16/h2-14H,1H3,(H,23,24)
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n/an/a 210n/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))
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 210n/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 9


(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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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 9


(Homo sapiens (human))
BDBM50077969
PNG
(((R)-1-Phenyl-ethyl)-{4-[2-piperidin-4-yl-5-(3-tri...)
Show SMILES C[C@@H](Nc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C27H27F3N6/c1-17(18-6-3-2-4-7-18)33-26-32-15-12-22(34-26)24-23(20-8-5-9-21(16-20)27(28,29)30)35-25(36-24)19-10-13-31-14-11-19/h2-9,12,15-17,19,31H,10-11,13-14H2,1H3,(H,35,36)(H,32,33,34)/t17-/m1/s1
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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 9


(Homo sapiens (human))
BDBM50077953
PNG
(4-(1-methyl-2-(piperidin-4-yl)-4-(3-(trifluorometh...)
Show SMILES C[C@@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m1/s1
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n/an/a 300n/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
C-RAF


(Homo sapiens (human))
BDBM50077959
PNG
(4-(2-Phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-benzo...)
Show SMILES COC(=O)c1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C22H17N3O2/c1-27-22(26)18-9-7-15(8-10-18)19-20(16-11-13-23-14-12-16)25-21(24-19)17-5-3-2-4-6-17/h2-14H,1H3,(H,24,25)
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n/an/a 320n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human c-Raf 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))
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 330n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human c-Raf 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))
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 380n/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))
BDBM50077976
PNG
(4-(2-Phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)-pheno...)
Show SMILES Oc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C20H15N3O/c24-17-8-6-14(7-9-17)18-19(15-10-12-21-13-11-15)23-20(22-18)16-4-2-1-3-5-16/h1-13,24H,(H,22,23)
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n/an/a 390n/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))
BDBM50077952
PNG
(4-[5-(4-Cyclohexyl-phenyl)-2-phenyl-3H-imidazol-4-...)
Show SMILES C1CCC(CC1)c1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C26H25N3/c1-3-7-19(8-4-1)20-11-13-21(14-12-20)24-25(22-15-17-27-18-16-22)29-26(28-24)23-9-5-2-6-10-23/h2,5-6,9-19H,1,3-4,7-8H2,(H,28,29)
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n/an/a 570n/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))
BDBM50237711
PNG
(4-(4-(2-chlorophenyl)-2-phenyl-1H-imidazol-5-yl)py...)
Show SMILES Clc1ccccc1-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C20H14ClN3/c21-17-9-5-4-8-16(17)19-18(14-10-12-22-13-11-14)23-20(24-19)15-6-2-1-3-7-15/h1-13H,(H,23,24)
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n/an/a 610n/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))
BDBM15240
PNG
(4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1
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n/an/a 675n/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 9


(Homo sapiens (human))
BDBM50077970
PNG
((4-Methoxy-benzyl)-{4-[2-piperidin-4-yl-5-(3-trifl...)
Show SMILES COc1ccc(CNc2nccc(n2)-c2nc([nH]c2-c2cccc(c2)C(F)(F)F)C2CCNCC2)cc1
Show InChI InChI=1S/C27H27F3N6O/c1-37-21-7-5-17(6-8-21)16-33-26-32-14-11-22(34-26)24-23(19-3-2-4-20(15-19)27(28,29)30)35-25(36-24)18-9-12-31-13-10-18/h2-8,11,14-15,18,31H,9-10,12-13,16H2,1H3,(H,35,36)(H,32,33,34)
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n/an/a 735n/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
C-RAF


(Homo sapiens (human))
BDBM50077962
PNG
(4-(2,5-Diphenyl-3H-imidazol-4-yl)-pyrimidin-2-ylam...)
Show SMILES Nc1nccc(n1)-c1nc([nH]c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H15N5/c20-19-21-12-11-15(22-19)17-16(13-7-3-1-4-8-13)23-18(24-17)14-9-5-2-6-10-14/h1-12H,(H,23,24)(H2,20,21,22)
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n/an/a 750n/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))
BDBM15459
PNG
(4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C29H30F3N5/c1-19(20-7-4-3-5-8-20)35-25-18-23(13-16-34-25)27-26(22-9-6-10-24(17-22)29(30,31)32)36-28(37(27)2)21-11-14-33-15-12-21/h3-10,13,16-19,21,33H,11-12,14-15H2,1-2H3,(H,34,35)/t19-/m0/s1
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n/an/a 810n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human c-Raf 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))
BDBM50077956
PNG
(4-(2-phenyl-4-(3-(trifluoromethyl)phenyl)-1H-imida...)
Show SMILES FC(F)(F)c1cccc(c1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C21H14F3N3/c22-21(23,24)17-8-4-7-16(13-17)19-18(14-9-11-25-12-10-14)26-20(27-19)15-5-2-1-3-6-15/h1-13H,(H,26,27)
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n/an/a 910n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human c-Raf 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))
BDBM50237721
PNG
(4-(4-(4-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl)p...)
Show SMILES COc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C21H17N3O/c1-25-18-9-7-15(8-10-18)19-20(16-11-13-22-14-12-16)24-21(23-19)17-5-3-2-4-6-17/h2-14H,1H3,(H,23,24)
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n/an/a 950n/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))
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 1.00E+3n/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))
BDBM15240
PNG
(4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human c-Raf 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))
BDBM15459
PNG
(4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C29H30F3N5/c1-19(20-7-4-3-5-8-20)35-25-18-23(13-16-34-25)27-26(22-9-6-10-24(17-22)29(30,31)32)36-28(37(27)2)21-11-14-33-15-12-21/h3-10,13,16-19,21,33H,11-12,14-15H2,1-2H3,(H,34,35)/t19-/m0/s1
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n/an/a 1.17E+3n/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
C-RAF


(Homo sapiens (human))
BDBM50053410
PNG
(4-(4-Fluorophenyl)-5-(pyridin-4-yl)-1H-imidazole |...)
Show SMILES Fc1ccc(cc1)-c1[nH]cnc1-c1ccncc1
Show InChI InChI=1S/C14H10FN3/c15-12-3-1-10(2-4-12)13-14(18-9-17-13)11-5-7-16-8-6-11/h1-9H,(H,17,18)
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n/an/a 1.30E+3n/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))
BDBM50077968
PNG
(4-[2-Phenyl-5-(4-trifluoromethyl-phenyl)-3H-imidaz...)
Show SMILES FC(F)(F)c1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C21H14F3N3/c22-21(23,24)17-8-6-14(7-9-17)18-19(15-10-12-25-13-11-15)27-20(26-18)16-4-2-1-3-5-16/h1-13H,(H,26,27)
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n/an/a 1.40E+3n/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))
BDBM50077954
PNG
(4-(2,5-Diphenyl-3H-imidazol-4-yl)-pyrimidine | CHE...)
Show SMILES c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccncn1
Show InChI InChI=1S/C19H14N4/c1-3-7-14(8-4-1)17-18(16-11-12-20-13-21-16)23-19(22-17)15-9-5-2-6-10-15/h1-13H,(H,22,23)
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n/an/a 1.42E+3n/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 9


(Homo sapiens (human))
BDBM15240
PNG
(4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1
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n/an/a 1.55E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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))
BDBM50077971
PNG
(4-[5-(3,5-Dichloro-phenyl)-2-phenyl-3H-imidazol-4-...)
Show SMILES Clc1cc(Cl)cc(c1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C20H13Cl2N3/c21-16-10-15(11-17(22)12-16)19-18(13-6-8-23-9-7-13)24-20(25-19)14-4-2-1-3-5-14/h1-12H,(H,24,25)
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n/an/a 1.60E+3n/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))
BDBM50077975
PNG
(((S)-1-Phenyl-ethyl)-{4-[2-piperidin-4-yl-5-(3-tri...)
Show SMILES C[C@H](Nc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C27H27F3N6/c1-17(18-6-3-2-4-7-18)33-26-32-15-12-22(34-26)24-23(20-8-5-9-21(16-20)27(28,29)30)35-25(36-24)19-10-13-31-14-11-19/h2-9,12,15-17,19,31H,10-11,13-14H2,1H3,(H,35,36)(H,32,33,34)/t17-/m0/s1
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n/an/a 1.75E+3n/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 9


(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 1.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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))
BDBM50077977
PNG
(4-(2,4-diphenyl-1H-imidazol-5-yl)-N-methylpyrimidi...)
Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H17N5/c1-21-20-22-13-12-16(23-20)18-17(14-8-4-2-5-9-14)24-19(25-18)15-10-6-3-7-11-15/h2-13H,1H3,(H,24,25)(H,21,22,23)
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n/an/a 2.10E+3n/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))
BDBM15459
PNG
(4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C29H30F3N5/c1-19(20-7-4-3-5-8-20)35-25-18-23(13-16-34-25)27-26(22-9-6-10-24(17-22)29(30,31)32)36-28(37(27)2)21-11-14-33-15-12-21/h3-10,13,16-19,21,33H,11-12,14-15H2,1-2H3,(H,34,35)/t19-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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


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))
BDBM50077978
PNG
(4-(5-Biphenyl-4-yl-2-phenyl-3H-imidazol-4-yl)-pyri...)
Show SMILES c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(cc1)-c1ccccc1)-c1ccncc1
Show InChI InChI=1S/C26H19N3/c1-3-7-19(8-4-1)20-11-13-21(14-12-20)24-25(22-15-17-27-18-16-22)29-26(28-24)23-9-5-2-6-10-23/h1-18H,(H,28,29)
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n/an/a 2.50E+3n/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))
BDBM50077955
PNG
(4-[5-(3-Fluoro-phenyl)-2-phenyl-3H-imidazol-4-yl]-...)
Show SMILES Fc1cccc(c1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C20H14FN3/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 3.00E+3n/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))
BDBM50077965
PNG
(4-[2-Piperidin-4-yl-5-(3-trifluoromethyl-phenyl)-3...)
Show SMILES Nc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1
Show InChI InChI=1S/C19H19F3N6/c20-19(21,22)13-3-1-2-12(10-13)15-16(14-6-9-25-18(23)26-14)28-17(27-15)11-4-7-24-8-5-11/h1-3,6,9-11,24H,4-5,7-8H2,(H,27,28)(H2,23,25,26)
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n/an/a 3.30E+3n/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
SRC


(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 3.45E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine 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))
BDBM50077975
PNG
(((S)-1-Phenyl-ethyl)-{4-[2-piperidin-4-yl-5-(3-tri...)
Show SMILES C[C@H](Nc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C27H27F3N6/c1-17(18-6-3-2-4-7-18)33-26-32-15-12-22(34-26)24-23(20-8-5-9-21(16-20)27(28,29)30)35-25(36-24)19-10-13-31-14-11-19/h2-9,12,15-17,19,31H,10-11,13-14H2,1H3,(H,35,36)(H,32,33,34)/t17-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human c-Raf 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))
BDBM50077969
PNG
(((R)-1-Phenyl-ethyl)-{4-[2-piperidin-4-yl-5-(3-tri...)
Show SMILES C[C@@H](Nc1nccc(n1)-c1nc([nH]c1-c1cccc(c1)C(F)(F)F)C1CCNCC1)c1ccccc1
Show InChI InChI=1S/C27H27F3N6/c1-17(18-6-3-2-4-7-18)33-26-32-15-12-22(34-26)24-23(20-8-5-9-21(16-20)27(28,29)30)35-25(36-24)19-10-13-31-14-11-19/h2-9,12,15-17,19,31H,10-11,13-14H2,1H3,(H,35,36)(H,32,33,34)/t17-/m1/s1
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n/an/a 4.50E+3n/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))
BDBM50077954
PNG
(4-(2,5-Diphenyl-3H-imidazol-4-yl)-pyrimidine | CHE...)
Show SMILES c1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccncn1
Show InChI InChI=1S/C19H14N4/c1-3-7-14(8-4-1)17-18(16-11-12-20-13-21-16)23-19(22-17)15-9-5-2-6-10-15/h1-13H,(H,22,23)
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n/an/a 5.00E+3n/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
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM15240
PNG
(4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGF receptor 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))
BDBM50077973
PNG
(4-[5-(4-Isopropyl-phenyl)-2-phenyl-3H-imidazol-4-y...)
Show SMILES CC(C)c1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C23H21N3/c1-16(2)17-8-10-18(11-9-17)21-22(19-12-14-24-15-13-19)26-23(25-21)20-6-4-3-5-7-20/h3-16H,1-2H3,(H,25,26)
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n/an/a>1.00E+4n/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
Epidermal growth factor receptor


(Homo sapiens (human))
BDBM15459
PNG
(4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C29H30F3N5/c1-19(20-7-4-3-5-8-20)35-25-18-23(13-16-34-25)27-26(22-9-6-10-24(17-22)29(30,31)32)36-28(37(27)2)21-11-14-33-15-12-21/h3-10,13,16-19,21,33H,11-12,14-15H2,1-2H3,(H,34,35)/t19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGF receptor 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
SRC


(Homo sapiens (human))
BDBM15459
PNG
(4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...)
Show SMILES C[C@H](Nc1cc(ccn1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C29H30F3N5/c1-19(20-7-4-3-5-8-20)35-25-18-23(13-16-34-25)27-26(22-9-6-10-24(17-22)29(30,31)32)36-28(37(27)2)21-11-14-33-15-12-21/h3-10,13,16-19,21,33H,11-12,14-15H2,1-2H3,(H,34,35)/t19-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine 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
SRC


(Homo sapiens (human))
BDBM15240
PNG
(4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...)
Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of p56 Lck tyrosine 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
Epidermal growth factor receptor


(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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Article
PubMed
n/an/a 9.60E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of EGF receptor 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
* indicates data uncertainty>20%