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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50038344   
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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM26041
PNG
(2-chloro-5-(2-phenyl-5-(pyridin-4-yl)-1H-imidazol-...)
Show SMILES Oc1cc(ccc1Cl)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C20H14ClN3O/c21-16-7-6-15(12-17(16)25)19-18(13-8-10-22-11-9-13)23-20(24-19)14-4-2-1-3-5-14/h1-12,25H,(H,23,24)
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n/an/a 1.40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50139601
PNG
(1-(4-bromo-3-(trifluoromethyl)phenyl)-3-(4-(2-(met...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Br)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16BrF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 6n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50375259
PNG
(CHEMBL220019)
Show SMILES CNC(=O)Oc1cc(C)c(C=Cc2cncc(c2)C(O)=O)c(C)c1 |w:11.11|
Show InChI InChI=1S/C18H18N2O4/c1-11-6-15(24-18(23)19-3)7-12(2)16(11)5-4-13-8-14(17(21)22)10-20-9-13/h4-10H,1-3H3,(H,19,23)(H,21,22)
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n/an/a 6n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50375258
PNG
(CHEMBL219870)
Show SMILES CNC(=O)Oc1cc(C)c(C=Cc2cncc(c2)C(N)=O)c(C)c1 |w:11.11|
Show InChI InChI=1S/C18H19N3O3/c1-11-6-15(24-18(23)20-3)7-12(2)16(11)5-4-13-8-14(17(19)22)10-21-9-13/h4-10H,1-3H3,(H2,19,22)(H,20,23)
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n/an/a 7n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50358043
PNG
(CHEMBL1794051 | GW-5074)
Show SMILES OC1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C15H10Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,15,19-21H
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n/an/a 9n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50375252
PNG
(CHEMBL218932)
Show SMILES CNC(=O)Oc1cc(C)c(C=Cc2cncc(c2)C(=O)NC)c(C)c1 |w:10.9|
Show InChI InChI=1S/C19H21N3O3/c1-12-7-16(25-19(24)21-4)8-13(2)17(12)6-5-14-9-15(11-22-10-14)18(23)20-3/h5-11H,1-4H3,(H,20,23)(H,21,24)
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n/an/a 10n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50132260
PNG
(2-(2-Chloro-4-iodo-phenylamino)-N-cyclopropylmetho...)
Show SMILES Fc1ccc(C(=O)NOCC2CC2)c(Nc2ccc(I)cc2Cl)c1F
Show InChI InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)
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n/an/a 12n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50375257
PNG
(CHEMBL403732)
Show SMILES NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C20H14ClF3N4O3/c21-16-6-3-12(9-15(16)20(22,23)24)28-19(30)27-11-1-4-13(5-2-11)31-14-7-8-26-17(10-14)18(25)29/h1-10H,(H2,25,29)(H2,27,28,30)
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n/an/a 13n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50085418
PNG
(3-(3,5-dibromo-4-hydroxybenzylidene)-5-(cyclopropa...)
Show SMILES Oc1c(Br)cc(C=C2C(=O)Nc3ccc(cc23)C(=O)C2CC2)cc1Br |w:6.5|
Show InChI InChI=1S/C19H13Br2NO3/c20-14-6-9(7-15(21)18(14)24)5-13-12-8-11(17(23)10-1-2-10)3-4-16(12)22-19(13)25/h3-8,10,24H,1-2H2,(H,22,25)
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n/an/a 25n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50085413
PNG
(3-(3,5-dichloro-4-hydroxybenzylidene)-5-phenylindo...)
Show SMILES Oc1c(Cl)cc(\C=C2/C(=O)Nc3ccc(cc23)-c2ccccc2)cc1Cl
Show InChI InChI=1S/C21H13Cl2NO2/c22-17-9-12(10-18(23)20(17)25)8-16-15-11-14(13-4-2-1-3-5-13)6-7-19(15)24-21(16)26/h1-11,25H,(H,24,26)/b16-8-
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n/an/a 32n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50375261
PNG
(CHEMBL219745)
Show SMILES CNC(=O)Oc1cc(C)c(C=Cc2cncc(c2)C#N)c(C)c1 |w:11.11|
Show InChI InChI=1S/C18H17N3O2/c1-12-6-16(23-18(22)20-3)7-13(2)17(12)5-4-14-8-15(9-19)11-21-10-14/h4-8,10-11H,1-3H3,(H,20,22)
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n/an/a 40n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50085411
PNG
(3-[1-(3,5-Dichloro-4-hydroxy-phenyl)-meth-(Z)-ylid...)
Show SMILES Oc1c(Cl)cc(\C=C2/C(=O)Nc3ccc(cc23)C(=O)c2ccco2)cc1Cl
Show InChI InChI=1S/C20H11Cl2NO4/c21-14-7-10(8-15(22)19(14)25)6-13-12-9-11(3-4-16(12)23-20(13)26)18(24)17-2-1-5-27-17/h1-9,25H,(H,23,26)/b13-6-
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n/an/a 46n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50139627
PNG
(1-(2-methoxy-5-(trifluoromethyl)phenyl)-3-(4-(5-(m...)
Show SMILES CNC(=O)c1cncc(Oc2ccc(NC(=O)Nc3cc(ccc3OC)C(F)(F)F)cc2)c1
Show InChI InChI=1S/C22H19F3N4O4/c1-26-20(30)13-9-17(12-27-11-13)33-16-6-4-15(5-7-16)28-21(31)29-18-10-14(22(23,24)25)3-8-19(18)32-2/h3-12H,1-2H3,(H,26,30)(H2,28,29,31)
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n/an/a 61n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50153835
PNG
(1-(3-dimethylaminophenylcarboxamido)-3-(4-hydroxyp...)
Show SMILES CN(C)c1cccc(c1)C(=O)Nc1ccc(C)c(NC(=O)c2ccc(O)cc2)c1
Show InChI InChI=1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)
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n/an/a 70n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50375264
PNG
(CHEMBL374680)
Show SMILES Cc1cc(cc(C)c1C=Cc1cncc(c1)-c1nnn[nH]1)-c1ccccn1 |w:8.8|
Show InChI InChI=1S/C21H18N6/c1-14-9-17(20-5-3-4-8-23-20)10-15(2)19(14)7-6-16-11-18(13-22-12-16)21-24-26-27-25-21/h3-13H,1-2H3,(H,24,25,26,27)
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n/an/a 100n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50375251
PNG
(CHEMBL218088)
Show SMILES Cc1cc(O)cc(C)c1\C=C\c1cncc(c1)C(N)=O
Show InChI InChI=1S/C16H16N2O2/c1-10-5-14(19)6-11(2)15(10)4-3-12-7-13(16(17)20)9-18-8-12/h3-9,19H,1-2H3,(H2,17,20)/b4-3+
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n/an/a 158n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50139624
PNG
(1-(4-bromo-3-(trifluoromethyl)phenyl)-3-(4-(2-(dim...)
Show SMILES CN(C)C(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Br)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C22H18BrF3N4O3/c1-30(2)20(31)19-12-16(9-10-27-19)33-15-6-3-13(4-7-15)28-21(32)29-14-5-8-18(23)17(11-14)22(24,25)26/h3-12H,1-2H3,(H2,28,29,32)
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n/an/a 170n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50375256
PNG
(CHEMBL218859)
Show SMILES CNC(=O)c1cncc(\C=C\c2c(C)cccc2C)c1
Show InChI InChI=1S/C17H18N2O/c1-12-5-4-6-13(2)16(12)8-7-14-9-15(11-19-10-14)17(20)18-3/h4-11H,1-3H3,(H,18,20)/b8-7+
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n/an/a 250n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50375260
PNG
(CHEMBL263796)
Show SMILES CNC(=O)c1cncc(\C=C\c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C15H12Cl2N2O/c1-18-15(20)11-7-10(8-19-9-11)5-6-12-13(16)3-2-4-14(12)17/h2-9H,1H3,(H,18,20)/b6-5+
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n/an/a 251n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50192783
PNG
(5-(4-hydroxy-2,6-dimethylstyryl)nicotinic acid | C...)
Show SMILES Cc1cc(O)cc(C)c1\C=C\c1cncc(c1)C(O)=O
Show InChI InChI=1S/C16H15NO3/c1-10-5-14(18)6-11(2)15(10)4-3-12-7-13(16(19)20)9-17-8-12/h3-9,18H,1-2H3,(H,19,20)/b4-3+
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n/an/a 398n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50375255
PNG
(CHEMBL374647)
Show SMILES Cc1cc(cc(C)c1C=Cc1cncc(c1)-c1nnn[nH]1)-c1cccnc1 |w:9.10|
Show InChI InChI=1S/C21H18N6/c1-14-8-18(17-4-3-7-22-12-17)9-15(2)20(14)6-5-16-10-19(13-23-11-16)21-24-26-27-25-21/h3-13H,1-2H3,(H,24,25,26,27)
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n/an/a 630n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50375263
PNG
(CHEMBL219148)
Show SMILES Cc1cccc(C)c1\C=C\c1cncc(c1)C#N
Show InChI InChI=1S/C16H14N2/c1-12-4-3-5-13(2)16(12)7-6-14-8-15(9-17)11-18-10-14/h3-8,10-11H,1-2H3/b7-6+
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n/an/a 1.00E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50237710
PNG
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)
Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37)
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n/an/a 1.10E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50105601
PNG
(5-tert-Butyl-3-[3-(5-methyl-[1,3,4]thiadiazol-2-yl...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1nnc(C)s1)C(C)(C)C
Show InChI InChI=1S/C14H18N4O3S2/c1-7-17-18-13(22-7)16-12(20)15-8-6-9(14(2,3)4)23-10(8)11(19)21-5/h6H,1-5H3,(H2,15,16,18,20)
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n/an/a 1.20E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50085410
PNG
(3-(3,5-dibromo-4-hydroxybenzylidene)indolin-2-one ...)
Show SMILES Oc1c(Br)cc(\C=C2/C(=O)Nc3ccccc23)cc1Br
Show InChI InChI=1S/C15H9Br2NO2/c16-11-6-8(7-12(17)14(11)19)5-10-9-3-1-2-4-13(9)18-15(10)20/h1-7,19H,(H,18,20)/b10-5-
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n/an/a 1.30E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095399
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-thiophene-2-carb...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H22N2O3S/c1-11-6-8-12(9-7-11)19-17(22)20-13-10-14(18(2,3)4)24-15(13)16(21)23-5/h6-10H,1-5H3,(H2,19,20,22)
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n/an/a 1.70E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(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



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095396
PNG
(5-tert-Butyl-3-(3-p-tolyl-ureido)-furan-2-carboxyl...)
Show SMILES COC(=O)c1oc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H22N2O4/c1-11-6-8-12(9-7-11)19-17(22)20-13-10-14(18(2,3)4)24-15(13)16(21)23-5/h6-10H,1-5H3,(H2,19,20,22)
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n/an/a 3.00E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50375262
PNG
(CHEMBL428427)
Show SMILES CN(c1ccncc1)c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C20H23N5O2/c1-20(2,3)17-13-18(24-27-17)23-19(26)22-14-5-7-15(8-6-14)25(4)16-9-11-21-12-10-16/h5-13H,1-4H3,(H2,22,23,24,26)
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n/an/a 3.50E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095403
PNG
(1-(5-tert-butyl-2-(methylcarbamoyl)thiophen-3-yl)-...)
Show SMILES CNC(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C18H23N3O2S/c1-11-6-8-12(9-7-11)20-17(23)21-13-10-14(18(2,3)4)24-15(13)16(22)19-5/h6-10H,1-5H3,(H,19,22)(H2,20,21,23)
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n/an/a 4.90E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50237709
PNG
(4-(4-(3-(5-tert-butylisoxazol-3-yl)ureido)phenoxy)...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccc(cc3)C(O)=O)cc2)no1
Show InChI InChI=1S/C21H21N3O5/c1-21(2,3)17-12-18(24-29-17)23-20(27)22-14-6-10-16(11-7-14)28-15-8-4-13(5-9-15)19(25)26/h4-12H,1-3H3,(H,25,26)(H2,22,23,24,27)
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n/an/a 6.30E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50375254
PNG
(CHEMBL403831)
Show SMILES CC(C)(C)c1nnc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)o1
Show InChI InChI=1S/C18H19N5O3/c1-18(2,3)15-22-23-17(26-15)21-16(24)20-12-4-6-13(7-5-12)25-14-8-10-19-11-9-14/h4-11H,1-3H3,(H2,20,21,23,24)
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n/an/a 6.30E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50375253
PNG
(CHEMBL440588)
Show SMILES CC(C)(C)c1nnc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)s1
Show InChI InChI=1S/C18H19N5O2S/c1-18(2,3)15-22-23-17(26-15)21-16(24)20-12-4-6-13(7-5-12)25-14-8-10-19-11-9-14/h4-11H,1-3H3,(H2,20,21,23,24)
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n/an/a 8.60E+3n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50105604
PNG
(5-tert-Butyl-3-[3-(5-tert-butyl-[1,3,4]thiadiazol-...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1nnc(s1)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C17H24N4O3S2/c1-16(2,3)10-8-9(11(25-10)12(22)24-7)18-14(23)19-15-21-20-13(26-15)17(4,5)6/h8H,1-7H3,(H2,18,19,21,23)
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n/an/a 1.10E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095411
PNG
(5-tert-Butyl-3-[3-(4-hydroxy-phenyl)-ureido]-thiop...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccc(O)cc1)C(C)(C)C
Show InChI InChI=1S/C17H20N2O4S/c1-17(2,3)13-9-12(14(24-13)15(21)23-4)19-16(22)18-10-5-7-11(20)8-6-10/h5-9,20H,1-4H3,(H2,18,19,22)
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n/an/a 1.50E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50105618
PNG
(1-(5-tert-butyl-2-(dimethylcarbamoyl)thiophen-3-yl...)
Show SMILES CN(C)C(=O)c1sc(cc1NC(=O)Nc1ccc(C)cc1)C(C)(C)C
Show InChI InChI=1S/C19H25N3O2S/c1-12-7-9-13(10-8-12)20-18(24)21-14-11-15(19(2,3)4)25-16(14)17(23)22(5)6/h7-11H,1-6H3,(H2,20,21,24)
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n/an/a 1.50E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50095395
PNG
(3-[3-(4-Amino-phenyl)-ureido]-5-tert-butyl-thiophe...)
Show SMILES COC(=O)c1sc(cc1NC(=O)Nc1ccc(N)cc1)C(C)(C)C
Show InChI InChI=1S/C17H21N3O3S/c1-17(2,3)13-9-12(14(24-13)15(21)23-4)20-16(22)19-11-7-5-10(18)6-8-11/h5-9H,18H2,1-4H3,(H2,19,20,22)
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n/an/a 1.80E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50105742
PNG
(4-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl...)
Show SMILES COc1nccc(n1)-c1c(ncn1[C@H]1CC[C@H](O)CC1)-c1ccc(F)cc1 |wU:16.18,wD:13.14,(3.13,-3.72,;3.16,-2.18,;4.5,-1.42,;4.53,.13,;5.87,.86,;7.2,.06,;7.17,-1.48,;5.82,-2.22,;8.5,-2.27,;8.7,-3.8,;10.21,-4.09,;10.93,-2.74,;9.88,-1.62,;10.17,-.1,;11.64,.4,;11.93,1.91,;10.77,2.91,;11.06,4.43,;9.31,2.4,;9.02,.89,;7.63,-4.91,;8.06,-6.39,;6.98,-7.48,;5.49,-7.1,;4.43,-8.22,;5.06,-5.63,;6.14,-4.53,)|
Show InChI InChI=1S/C20H21FN4O2/c1-27-20-22-11-10-17(24-20)19-18(13-2-4-14(21)5-3-13)23-12-25(19)15-6-8-16(26)9-7-15/h2-5,10-12,15-16,26H,6-9H2,1H3/t15-,16-
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n/an/a 5.00E+4n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of Raf1 kinase


Bioorg Med Chem Lett 18: 2346-50 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.068
BindingDB Entry DOI: 10.7270/Q25X29S8
More data for this
Ligand-Target Pair