Compile Data Set for Download or QSAR

Found 804 hits of kd data for polymerid = 2857   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM25391 (CHEMBL200622 | SB-590885 | SB590885 | [2-(4-{4-[(1...) Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1 Show InChI InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Binding affinity to human N-His6-tagged B-Raf expressed in Sf9 cells				Bioorg Med Chem Lett 21: 6941-4 (2011) Article DOI: 10.1016/j.bmcl.2011.10.012 BindingDB Entry DOI: 10.7270/Q21R6QXK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM25628 (2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...) Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,18,24H,2,4,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for BRAF(V600E) kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM25628 (2-{4-[(1Z)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...) Show SMILES OCCn1cc(c(n1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O Show InChI InChI=1S/C19H18N4O2/c24-10-9-23-12-17(19(21-23)13-5-7-20-8-6-13)15-1-3-16-14(11-15)2-4-18(16)22-25/h1,3,5-8,11-12,18,24H,2,4,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for BRAF kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM25391 (CHEMBL200622 | SB-590885 | SB590885 | [2-(4-{4-[(1...) Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1 Show InChI InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.300	n/a	n/a	n/a	7.5	22
GSK					Assay Description The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...				Bioorg Med Chem Lett 18: 4373-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.070 BindingDB Entry DOI: 10.7270/Q26D5R86
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM25391 (CHEMBL200622 | SB-590885 | SB590885 | [2-(4-{4-[(1...) Show SMILES CN(C)CCOc1ccc(cc1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1 Show InChI InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,24H,6,10,15-16H2,1-2H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at bRaf kinase in fluorescent ligand displacement assay				Bioorg Med Chem Lett 16: 378-81 (2005) Article DOI: 10.1016/j.bmcl.2005.09.072 BindingDB Entry DOI: 10.7270/Q2Z038Z9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50457446 (CHEMBL4212692) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-n1cc(-c2cncnc2)c2nc(ccc12)N(C)C1CCN(CC)CC1 |(23.77,-37.37,;22.26,-37.06,;21.77,-35.6,;20.26,-35.29,;19.86,-36.78,;18.77,-35.69,;19.78,-33.84,;18.27,-33.53,;17.24,-34.69,;15.73,-34.38,;15.25,-32.92,;13.74,-32.6,;16.28,-31.77,;17.78,-32.07,;18.8,-30.92,;15.79,-30.31,;16.69,-29.06,;15.78,-27.82,;16.25,-26.36,;17.75,-26.03,;18.22,-24.57,;17.18,-23.43,;15.67,-23.76,;15.21,-25.23,;14.32,-28.3,;12.98,-27.54,;11.65,-28.31,;11.65,-29.85,;12.98,-30.63,;14.33,-29.85,;10.32,-27.54,;10.32,-26,;8.99,-28.31,;7.65,-27.54,;6.32,-28.3,;6.32,-29.84,;4.98,-30.61,;3.65,-29.83,;7.65,-30.62,;8.99,-29.85,)| Show InChI InChI=1S/C28H33F2N7O2S/c1-4-14-40(38,39)34-23-7-6-22(29)28(26(23)30)37-17-21(19-15-31-18-32-16-19)27-24(37)8-9-25(33-27)35(3)20-10-12-36(5-2)13-11-20/h6-9,15-18,20,34H,4-5,10-14H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	0.330	n/a	n/a	n/a	n/a	n/a
Cullgen Inc. Curated by ChEMBL					Assay Description Binding affinity to DNA-tagged BRAF (unknown origin) V600E mutant by KINOMEscan assay				J Med Chem 63: 4069-4080 (2020) Article DOI: 10.1021/acs.jmedchem.9b02083 BindingDB Entry DOI: 10.7270/Q2XD1511
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50457446 (CHEMBL4212692) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-n1cc(-c2cncnc2)c2nc(ccc12)N(C)C1CCN(CC)CC1 |(23.77,-37.37,;22.26,-37.06,;21.77,-35.6,;20.26,-35.29,;19.86,-36.78,;18.77,-35.69,;19.78,-33.84,;18.27,-33.53,;17.24,-34.69,;15.73,-34.38,;15.25,-32.92,;13.74,-32.6,;16.28,-31.77,;17.78,-32.07,;18.8,-30.92,;15.79,-30.31,;16.69,-29.06,;15.78,-27.82,;16.25,-26.36,;17.75,-26.03,;18.22,-24.57,;17.18,-23.43,;15.67,-23.76,;15.21,-25.23,;14.32,-28.3,;12.98,-27.54,;11.65,-28.31,;11.65,-29.85,;12.98,-30.63,;14.33,-29.85,;10.32,-27.54,;10.32,-26,;8.99,-28.31,;7.65,-27.54,;6.32,-28.3,;6.32,-29.84,;4.98,-30.61,;3.65,-29.83,;7.65,-30.62,;8.99,-29.85,)| Show InChI InChI=1S/C28H33F2N7O2S/c1-4-14-40(38,39)34-23-7-6-22(29)28(26(23)30)37-17-21(19-15-31-18-32-16-19)27-24(37)8-9-25(33-27)35(3)20-10-12-36(5-2)13-11-20/h6-9,15-18,20,34H,4-5,10-14H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a
Cullgen Inc. Curated by ChEMBL					Assay Description Binding affinity to DNA-tagged BRAF (unknown origin) by KINOMEscan assay				J Med Chem 63: 4069-4080 (2020) Article DOI: 10.1021/acs.jmedchem.9b02083 BindingDB Entry DOI: 10.7270/Q2XD1511
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM26049 ([2-(4-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-ind...) Show SMILES CN(C)CCOc1ccc(cc1)-c1cc(c(o1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O Show InChI InChI=1S/C28H27N3O3/c1-31(2)15-16-33-23-7-3-19(4-8-23)27-18-25(28(34-27)20-11-13-29-14-12-20)22-5-9-24-21(17-22)6-10-26(24)30-32/h3-5,7-9,11-14,17-18,26H,6,10,15-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.5	n/a	n/a	n/a	7.5	22
GSK					Assay Description The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...				Bioorg Med Chem Lett 18: 4373-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.070 BindingDB Entry DOI: 10.7270/Q26D5R86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM26042 (imidazole-based compound, 3 | {1-[(4-{4-[(1E)-1-(h...) Show SMILES CC(COc1nccc(n1)-c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1)N(C)C Show InChI InChI=1S/C26H27N7O2/c1-16(33(2)3)15-35-26-28-13-10-22(29-26)25-30-23(17-8-11-27-12-9-17)24(31-25)19-4-6-20-18(14-19)5-7-21(20)32-34/h4,6,8-14,16,21H,5,7,15H2,1-3H3,(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.5	n/a	n/a	n/a	7.5	22
GSK					Assay Description The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...				Bioorg Med Chem Lett 18: 4373-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.070 BindingDB Entry DOI: 10.7270/Q26D5R86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM26055 (N-[2-(dimethylamino)ethyl]-4-[(1E)-1-(hydroxyimino...) Show SMILES CN(C)CCNC(=O)c1cc(c(o1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O Show InChI InChI=1S/C23H24N4O3/c1-27(2)12-11-25-23(28)21-14-19(22(30-21)15-7-9-24-10-8-15)17-3-5-18-16(13-17)4-6-20(18)26-29/h3,5,7-10,13-14,20H,4,6,11-12H2,1-2H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.5	n/a	n/a	n/a	7.5	22
GSK					Assay Description The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...				Bioorg Med Chem Lett 18: 4373-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.070 BindingDB Entry DOI: 10.7270/Q26D5R86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM26050 ([2-(4-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-ind...) Show SMILES CN(C)CCOc1ccc(cc1)-c1cc(c([nH]1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O Show InChI InChI=1S/C28H28N4O2/c1-32(2)15-16-34-23-7-3-19(4-8-23)27-18-25(28(30-27)20-11-13-29-14-12-20)22-5-9-24-21(17-22)6-10-26(24)31-33/h3-5,7-9,11-14,17-18,26,30H,6,10,15-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.700	n/a	n/a	n/a	7.5	22
GSK					Assay Description The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...				Bioorg Med Chem Lett 18: 4373-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.070 BindingDB Entry DOI: 10.7270/Q26D5R86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM26051 ([2-(4-{5-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-ind...) Show SMILES CN(C)CCOc1ccc(cc1)-c1cc(c(o1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1 Show InChI InChI=1S/C28H27N3O3/c1-31(2)15-16-33-23-7-3-20(4-8-23)27-18-25(19-11-13-29-14-12-19)28(34-27)22-5-9-24-21(17-22)6-10-26(24)30-32/h3-5,7-9,11-14,17-18,26H,6,10,15-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.900	n/a	n/a	n/a	7.5	22
GSK					Assay Description The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...				Bioorg Med Chem Lett 18: 4373-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.070 BindingDB Entry DOI: 10.7270/Q26D5R86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM88120 (US10245267, Example 1156 | US10709712, Example 115...) Show SMILES Cc1ccc(NC(=O)c2ccnc(c2)C(F)(F)F)cc1-c1cc(OCCO)nc(c1)N1CCOCC1 Show InChI InChI=1S/C25H25F3N4O4/c1-16-2-3-19(30-24(34)17-4-5-29-21(12-17)25(26,27)28)15-20(16)18-13-22(32-6-9-35-10-7-32)31-23(14-18)36-11-8-33/h2-5,12-15,33H,6-11H2,1H3,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Binding affinity to wild-type human partial length BRAF (S429 to E741 residues) expressed in mammalian expression system by Kinomescan method				J Med Chem 63: 2013-2027 (2020) Article DOI: 10.1021/acs.jmedchem.9b00161 BindingDB Entry DOI: 10.7270/Q20G3PG4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM26048 (N-{3-[(dimethylamino)methyl]phenyl}-4-[(1E)-1-(hyd...) Show SMILES CN(C)Cc1cccc(NC(=O)c2nc(c([nH]2)-c2ccc3C(CCc3c2)N=O)-c2ccncc2)c1 Show InChI InChI=1S/C27H26N6O2/c1-33(2)16-17-4-3-5-21(14-17)29-27(34)26-30-24(18-10-12-28-13-11-18)25(31-26)20-6-8-22-19(15-20)7-9-23(22)32-35/h3-6,8,10-15,23H,7,9,16H2,1-2H3,(H,29,34)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	7.5	22
GSK					Assay Description The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...				Bioorg Med Chem Lett 18: 4373-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.070 BindingDB Entry DOI: 10.7270/Q26D5R86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50176337 (5-(2-phenyl-5-(pyridin-4-yl)-1H-imidazol-4-yl)-2,3...) Show SMILES O=NC1CCc2cc(ccc12)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1 Show InChI InChI=1S/C23H18N4O/c28-27-20-9-7-17-14-18(6-8-19(17)20)22-21(15-10-12-24-13-11-15)25-23(26-22)16-4-2-1-3-5-16/h1-6,8,10-14,20H,7,9H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at bRaf kinase in fluorescent ligand displacement assay				Bioorg Med Chem Lett 16: 378-81 (2005) Article DOI: 10.1016/j.bmcl.2005.09.072 BindingDB Entry DOI: 10.7270/Q2Z038Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM26047 (4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5-yl...) Show SMILES O=NC1CCc2cc(ccc12)-c1[nH]c(nc1-c1ccncc1)C(=O)NCCN1CCOCC1 Show InChI InChI=1S/C24H26N6O3/c31-24(26-9-10-30-11-13-33-14-12-30)23-27-21(16-5-7-25-8-6-16)22(28-23)18-1-3-19-17(15-18)2-4-20(19)29-32/h1,3,5-8,15,20H,2,4,9-14H2,(H,26,31)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.40	n/a	n/a	n/a	7.5	22
GSK					Assay Description The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...				Bioorg Med Chem Lett 18: 4373-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.070 BindingDB Entry DOI: 10.7270/Q26D5R86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM26044 ((1E)-5-[2-(piperidin-4-yl)-5-(pyridin-4-yl)-1H-imi...) Show SMILES O=NC1CCc2cc(ccc12)-c1[nH]c(nc1-c1ccncc1)C1CCNCC1 Show InChI InChI=1S/C22H23N5O/c28-27-19-4-2-16-13-17(1-3-18(16)19)21-20(14-5-9-23-10-6-14)25-22(26-21)15-7-11-24-12-8-15/h1,3,5-6,9-10,13,15,19,24H,2,4,7-8,11-12H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.70	n/a	n/a	n/a	7.5	22
GSK					Assay Description The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...				Bioorg Med Chem Lett 18: 4373-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.070 BindingDB Entry DOI: 10.7270/Q26D5R86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50176335 (5-(2-tert-butyl-5-(pyridin-4-yl)-1H-imidazol-4-yl)...) Show SMILES CC(C)(C)c1nc(c([nH]1)-c1ccc(Cl)c(O)c1)-c1ccncc1 Show InChI InChI=1S/C18H18ClN3O/c1-18(2,3)17-21-15(11-6-8-20-9-7-11)16(22-17)12-4-5-13(19)14(23)10-12/h4-10,23H,1-3H3,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at bRaf kinase in fluorescent ligand displacement assay				Bioorg Med Chem Lett 16: 378-81 (2005) Article DOI: 10.1016/j.bmcl.2005.09.072 BindingDB Entry DOI: 10.7270/Q2Z038Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50514785 (CHEMBL4443903) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-n1cc(-c2cncnc2)c2nc(ccc12)N(C)C1CCN(CC1)C(=O)CCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |(-10.34,9.68,;-9.01,10.47,;-7.68,9.7,;-6.34,10.46,;-7.12,11.8,;-5.58,11.81,;-5.02,9.7,;-5.02,8.16,;-6.35,7.39,;-6.35,5.84,;-5.01,5.08,;-5.01,3.54,;-3.67,5.85,;-3.68,7.38,;-2.36,8.16,;-2.34,5.09,;-.93,5.72,;.12,4.57,;1.65,4.75,;2.55,3.5,;4.08,3.66,;4.7,5.08,;3.79,6.33,;2.26,6.16,;-.66,3.25,;-.17,1.79,;-1.2,.66,;-2.71,.96,;-3.18,2.42,;-2.16,3.56,;-.7,-.82,;-1.73,-1.97,;.81,-1.13,;1.29,-2.58,;2.79,-2.9,;3.82,-1.75,;3.34,-.29,;1.83,.05,;5.33,-2.07,;6.35,-.92,;5.81,-3.53,;7.32,-3.84,;7.8,-5.31,;9.3,-5.62,;9.78,-7.09,;11.29,-7.4,;11.77,-8.86,;13.28,-9.18,;13.76,-10.64,;15.27,-10.96,;15.75,-12.42,;17.25,-12.74,;17.73,-14.2,;16.71,-15.34,;17.18,-16.8,;18.69,-17.12,;19.72,-15.96,;21.25,-15.94,;22.17,-17.18,;21.71,-14.48,;23.17,-14,;24.32,-15.02,;25.78,-14.54,;26.09,-13.03,;27.55,-12.55,;24.94,-12.01,;23.47,-12.49,;22.32,-11.47,;20.47,-13.59,;20.45,-12.05,;19.24,-14.5,)| Show InChI InChI=1S/C48H54F2N10O10S/c1-3-25-71(66,67)56-36-8-7-34(49)45(43(36)50)59-28-33(30-26-51-29-52-27-30)44-37(59)9-11-39(54-44)57(2)31-13-17-58(18-14-31)41(62)15-19-68-21-23-70-24-22-69-20-16-53-35-6-4-5-32-42(35)48(65)60(47(32)64)38-10-12-40(61)55-46(38)63/h4-9,11,26-29,31,38,53,56H,3,10,12-25H2,1-2H3,(H,55,61,63)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a
Cullgen Inc. Curated by ChEMBL					Assay Description Binding affinity to DNA-tagged BRAF (unknown origin) V600E mutant by KINOMEscan assay				J Med Chem 63: 4069-4080 (2020) Article DOI: 10.1021/acs.jmedchem.9b02083 BindingDB Entry DOI: 10.7270/Q2XD1511
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM26053 ((1E)-5-[5-(piperidin-4-yl)-2-(pyridin-4-yl)furan-3...) Show SMILES O=NC1CCc2cc(ccc12)-c1cc(oc1-c1ccncc1)C1CCNCC1 Show InChI InChI=1S/C23H23N3O2/c27-26-21-4-2-17-13-18(1-3-19(17)21)20-14-22(15-5-9-24-10-6-15)28-23(20)16-7-11-25-12-8-16/h1,3,7-8,11-15,21,24H,2,4-6,9-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.40	n/a	n/a	n/a	7.5	22
GSK					Assay Description The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...				Bioorg Med Chem Lett 18: 4373-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.070 BindingDB Entry DOI: 10.7270/Q26D5R86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50514785 (CHEMBL4443903) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-n1cc(-c2cncnc2)c2nc(ccc12)N(C)C1CCN(CC1)C(=O)CCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12 |(-10.34,9.68,;-9.01,10.47,;-7.68,9.7,;-6.34,10.46,;-7.12,11.8,;-5.58,11.81,;-5.02,9.7,;-5.02,8.16,;-6.35,7.39,;-6.35,5.84,;-5.01,5.08,;-5.01,3.54,;-3.67,5.85,;-3.68,7.38,;-2.36,8.16,;-2.34,5.09,;-.93,5.72,;.12,4.57,;1.65,4.75,;2.55,3.5,;4.08,3.66,;4.7,5.08,;3.79,6.33,;2.26,6.16,;-.66,3.25,;-.17,1.79,;-1.2,.66,;-2.71,.96,;-3.18,2.42,;-2.16,3.56,;-.7,-.82,;-1.73,-1.97,;.81,-1.13,;1.29,-2.58,;2.79,-2.9,;3.82,-1.75,;3.34,-.29,;1.83,.05,;5.33,-2.07,;6.35,-.92,;5.81,-3.53,;7.32,-3.84,;7.8,-5.31,;9.3,-5.62,;9.78,-7.09,;11.29,-7.4,;11.77,-8.86,;13.28,-9.18,;13.76,-10.64,;15.27,-10.96,;15.75,-12.42,;17.25,-12.74,;17.73,-14.2,;16.71,-15.34,;17.18,-16.8,;18.69,-17.12,;19.72,-15.96,;21.25,-15.94,;22.17,-17.18,;21.71,-14.48,;23.17,-14,;24.32,-15.02,;25.78,-14.54,;26.09,-13.03,;27.55,-12.55,;24.94,-12.01,;23.47,-12.49,;22.32,-11.47,;20.47,-13.59,;20.45,-12.05,;19.24,-14.5,)| Show InChI InChI=1S/C48H54F2N10O10S/c1-3-25-71(66,67)56-36-8-7-34(49)45(43(36)50)59-28-33(30-26-51-29-52-27-30)44-37(59)9-11-39(54-44)57(2)31-13-17-58(18-14-31)41(62)15-19-68-21-23-70-24-22-69-20-16-53-35-6-4-5-32-42(35)48(65)60(47(32)64)38-10-12-40(61)55-46(38)63/h4-9,11,26-29,31,38,53,56H,3,10,12-25H2,1-2H3,(H,55,61,63)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a
Cullgen Inc. Curated by ChEMBL					Assay Description Binding affinity to DNA-tagged BRAF (unknown origin) by KINOMEscan assay				J Med Chem 63: 4069-4080 (2020) Article DOI: 10.1021/acs.jmedchem.9b02083 BindingDB Entry DOI: 10.7270/Q2XD1511
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM26052 ([2-(4-{5-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-ind...) Show SMILES CN(C)CCOc1ccc(cc1)-c1cc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1 Show InChI InChI=1S/C28H28N4O2/c1-32(2)15-16-34-23-7-3-20(4-8-23)27-18-25(19-11-13-29-14-12-19)28(30-27)22-5-9-24-21(17-22)6-10-26(24)31-33/h3-5,7-9,11-14,17-18,26,30H,6,10,15-16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.40	n/a	n/a	n/a	7.5	22
GSK					Assay Description The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...				Bioorg Med Chem Lett 18: 4373-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.070 BindingDB Entry DOI: 10.7270/Q26D5R86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM26041 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.40	n/a	n/a	n/a	7.5	22
GSK					Assay Description The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...				Bioorg Med Chem Lett 18: 4373-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.070 BindingDB Entry DOI: 10.7270/Q26D5R86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM26041 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at bRaf kinase in fluorescent ligand displacement assay				Bioorg Med Chem Lett 16: 378-81 (2005) Article DOI: 10.1016/j.bmcl.2005.09.072 BindingDB Entry DOI: 10.7270/Q2Z038Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50514788 (CHEMBL4440761) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-n1cc(-c2cncnc2)c2nc(ccc12)N(C)C1CCN(CC1)C(=O)CCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)N(C)C3=O)C(=O)c12 |(-10.34,9.68,;-9.01,10.47,;-7.68,9.7,;-6.34,10.46,;-7.12,11.8,;-5.58,11.81,;-5.02,9.7,;-5.02,8.16,;-6.35,7.39,;-6.35,5.84,;-5.01,5.08,;-5.01,3.54,;-3.67,5.85,;-3.68,7.38,;-2.36,8.16,;-2.34,5.09,;-.93,5.72,;.12,4.57,;1.65,4.75,;2.55,3.5,;4.08,3.66,;4.7,5.08,;3.79,6.33,;2.26,6.16,;-.66,3.25,;-.17,1.79,;-1.2,.66,;-2.71,.96,;-3.18,2.42,;-2.16,3.56,;-.7,-.82,;-1.73,-1.97,;.81,-1.13,;1.29,-2.58,;2.79,-2.9,;3.82,-1.75,;3.34,-.29,;1.83,.05,;5.33,-2.07,;6.35,-.92,;5.81,-3.53,;7.32,-3.84,;7.8,-5.31,;9.3,-5.62,;9.78,-7.09,;11.29,-7.4,;11.77,-8.86,;13.28,-9.18,;13.76,-10.64,;15.27,-10.96,;15.75,-12.42,;17.25,-12.74,;17.73,-14.2,;16.71,-15.34,;17.18,-16.8,;18.69,-17.12,;19.72,-15.96,;21.25,-15.94,;22.17,-17.18,;21.71,-14.48,;23.17,-13.99,;24.32,-15.02,;25.78,-14.54,;26.09,-13.03,;27.55,-12.55,;24.94,-12,;25.25,-10.5,;23.47,-12.49,;22.32,-11.47,;20.47,-13.59,;20.45,-12.05,;19.24,-14.5,)| Show InChI InChI=1S/C49H56F2N10O10S/c1-4-26-72(67,68)56-37-9-8-35(50)46(44(37)51)60-29-34(31-27-52-30-53-28-31)45-38(60)10-12-40(55-45)57(2)32-14-18-59(19-15-32)42(63)16-20-69-22-24-71-25-23-70-21-17-54-36-7-5-6-33-43(36)49(66)61(47(33)64)39-11-13-41(62)58(3)48(39)65/h5-10,12,27-30,32,39,54,56H,4,11,13-26H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a
Cullgen Inc. Curated by ChEMBL					Assay Description Binding affinity to DNA-tagged BRAF (unknown origin) by KINOMEscan assay				J Med Chem 63: 4069-4080 (2020) Article DOI: 10.1021/acs.jmedchem.9b02083 BindingDB Entry DOI: 10.7270/Q2XD1511
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM26054 ((1E)-5-{5-[1-(2-methoxyethyl)piperidin-4-yl]-2-(py...) Show SMILES COCCN1CCC(CC1)c1cc(c(o1)-c1ccncc1)-c1ccc2C(CCc2c1)N=O Show InChI InChI=1S/C26H29N3O3/c1-31-15-14-29-12-8-18(9-13-29)25-17-23(26(32-25)19-6-10-27-11-7-19)21-2-4-22-20(16-21)3-5-24(22)28-30/h2,4,6-7,10-11,16-18,24H,3,5,8-9,12-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.70	n/a	n/a	n/a	7.5	22
GSK					Assay Description The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...				Bioorg Med Chem Lett 18: 4373-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.070 BindingDB Entry DOI: 10.7270/Q26D5R86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50514788 (CHEMBL4440761) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(c1F)-n1cc(-c2cncnc2)c2nc(ccc12)N(C)C1CCN(CC1)C(=O)CCOCCOCCOCCNc1cccc2C(=O)N(C3CCC(=O)N(C)C3=O)C(=O)c12 |(-10.34,9.68,;-9.01,10.47,;-7.68,9.7,;-6.34,10.46,;-7.12,11.8,;-5.58,11.81,;-5.02,9.7,;-5.02,8.16,;-6.35,7.39,;-6.35,5.84,;-5.01,5.08,;-5.01,3.54,;-3.67,5.85,;-3.68,7.38,;-2.36,8.16,;-2.34,5.09,;-.93,5.72,;.12,4.57,;1.65,4.75,;2.55,3.5,;4.08,3.66,;4.7,5.08,;3.79,6.33,;2.26,6.16,;-.66,3.25,;-.17,1.79,;-1.2,.66,;-2.71,.96,;-3.18,2.42,;-2.16,3.56,;-.7,-.82,;-1.73,-1.97,;.81,-1.13,;1.29,-2.58,;2.79,-2.9,;3.82,-1.75,;3.34,-.29,;1.83,.05,;5.33,-2.07,;6.35,-.92,;5.81,-3.53,;7.32,-3.84,;7.8,-5.31,;9.3,-5.62,;9.78,-7.09,;11.29,-7.4,;11.77,-8.86,;13.28,-9.18,;13.76,-10.64,;15.27,-10.96,;15.75,-12.42,;17.25,-12.74,;17.73,-14.2,;16.71,-15.34,;17.18,-16.8,;18.69,-17.12,;19.72,-15.96,;21.25,-15.94,;22.17,-17.18,;21.71,-14.48,;23.17,-13.99,;24.32,-15.02,;25.78,-14.54,;26.09,-13.03,;27.55,-12.55,;24.94,-12,;25.25,-10.5,;23.47,-12.49,;22.32,-11.47,;20.47,-13.59,;20.45,-12.05,;19.24,-14.5,)| Show InChI InChI=1S/C49H56F2N10O10S/c1-4-26-72(67,68)56-37-9-8-35(50)46(44(37)51)60-29-34(31-27-52-30-53-28-31)45-38(60)10-12-40(55-45)57(2)32-14-18-59(19-15-32)42(63)16-20-69-22-24-71-25-23-70-21-17-54-36-7-5-6-33-43(36)49(66)61(47(33)64)39-11-13-41(62)58(3)48(39)65/h5-10,12,27-30,32,39,54,56H,4,11,13-26H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a
Cullgen Inc. Curated by ChEMBL					Assay Description Binding affinity to DNA-tagged BRAF (unknown origin) V600E mutant by KINOMEscan assay				J Med Chem 63: 4069-4080 (2020) Article DOI: 10.1021/acs.jmedchem.9b02083 BindingDB Entry DOI: 10.7270/Q2XD1511
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50176329 (2-chloro-5-(2-(furan-2-yl)-5-(pyridin-4-yl)-1H-imi...) Show SMILES Oc1cc(ccc1Cl)-c1[nH]c(nc1-c1ccncc1)-c1ccco1 Show InChI InChI=1S/C18H12ClN3O2/c19-13-4-3-12(10-14(13)23)17-16(11-5-7-20-8-6-11)21-18(22-17)15-2-1-9-24-15/h1-10,23H,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at bRaf kinase in fluorescent ligand displacement assay				Bioorg Med Chem Lett 16: 378-81 (2005) Article DOI: 10.1016/j.bmcl.2005.09.072 BindingDB Entry DOI: 10.7270/Q2Z038Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM6568 (6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...) Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)| Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for BRAF(V600E) kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50176334 (5-(2-(1-amino-2-methylpropan-2-yl)-5-(pyridin-4-yl...) Show SMILES CC(C)(CN)c1nc(c([nH]1)-c1ccc(Cl)c(O)c1)-c1ccncc1 Show InChI InChI=1S/C18H19ClN4O/c1-18(2,10-20)17-22-15(11-5-7-21-8-6-11)16(23-17)12-3-4-13(19)14(24)9-12/h3-9,24H,10,20H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at bRaf kinase in fluorescent ligand displacement assay				Bioorg Med Chem Lett 16: 378-81 (2005) Article DOI: 10.1016/j.bmcl.2005.09.072 BindingDB Entry DOI: 10.7270/Q2Z038Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM26043 (2-{4-[(1E)-1-(hydroxyimino)-2,3-dihydro-1H-inden-5...) Show SMILES CC(C)(CN)c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1 Show InChI InChI=1S/C21H23N5O/c1-21(2,12-22)20-24-18(13-7-9-23-10-8-13)19(25-20)15-3-5-16-14(11-15)4-6-17(16)26-27/h3,5,7-11,17H,4,6,12,22H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.90	n/a	n/a	n/a	7.5	22
GSK					Assay Description The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...				Bioorg Med Chem Lett 18: 4373-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.070 BindingDB Entry DOI: 10.7270/Q26D5R86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50176317 (4-(2-phenyl-5-(pyridin-4-yl)-1H-imidazol-4-yl)benz...) Show SMILES O=NCc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1 Show InChI InChI=1S/C21H16N4O/c26-23-14-15-6-8-16(9-7-15)19-20(17-10-12-22-13-11-17)25-21(24-19)18-4-2-1-3-5-18/h1-13H,14H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at bRaf kinase in fluorescent ligand displacement assay				Bioorg Med Chem Lett 16: 378-81 (2005) Article DOI: 10.1016/j.bmcl.2005.09.072 BindingDB Entry DOI: 10.7270/Q2Z038Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50514787 (CHEMBL4449322) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(CNC(=O)CCCCNc3ccc4C(=O)N(C5CCC(=O)N(C)C5=O)C(=O)c4c3)cc2)c1F Show InChI InChI=1S/C43H41F2N7O8S/c1-3-18-61(59,60)50-33-14-13-32(44)37(38(33)45)39(55)31-23-49-40-29(31)19-26(22-48-40)25-9-7-24(8-10-25)21-47-35(53)6-4-5-17-46-27-11-12-28-30(20-27)42(57)52(41(28)56)34-15-16-36(54)51(2)43(34)58/h7-14,19-20,22-23,34,46,50H,3-6,15-18,21H2,1-2H3,(H,47,53)(H,48,49)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a
Cullgen Inc. Curated by ChEMBL					Assay Description Binding affinity to DNA-tagged BRAF (unknown origin) by KINOMEscan assay				J Med Chem 63: 4069-4080 (2020) Article DOI: 10.1021/acs.jmedchem.9b02083 BindingDB Entry DOI: 10.7270/Q2XD1511
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM26040 (5-{2-[4-(aminomethyl)phenyl]-5-(pyridin-4-yl)-1H-i...) Show SMILES NCc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(Cl)c(O)c1)-c1ccncc1 Show InChI InChI=1S/C21H17ClN4O/c22-17-6-5-16(11-18(17)27)20-19(14-7-9-24-10-8-14)25-21(26-20)15-3-1-13(12-23)2-4-15/h1-11,27H,12,23H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at bRaf kinase in fluorescent ligand displacement assay				Bioorg Med Chem Lett 16: 378-81 (2005) Article DOI: 10.1016/j.bmcl.2005.09.072 BindingDB Entry DOI: 10.7270/Q2Z038Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50176321 (5-(5-(2-aminopyrimidin-4-yl)-2-phenyl-1H-imidazol-...) Show SMILES Nc1nccc(n1)-c1nc([nH]c1-c1ccc(Cl)c(O)c1)-c1ccccc1 Show InChI InChI=1S/C19H14ClN5O/c20-13-7-6-12(10-15(13)26)16-17(14-8-9-22-19(21)23-14)25-18(24-16)11-4-2-1-3-5-11/h1-10,26H,(H,24,25)(H2,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at bRaf kinase in fluorescent ligand displacement assay				Bioorg Med Chem Lett 16: 378-81 (2005) Article DOI: 10.1016/j.bmcl.2005.09.072 BindingDB Entry DOI: 10.7270/Q2Z038Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM6568 (6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(methylsulfa...) Show SMILES CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-12.18,1.86,;-10.84,1.09,;-9.51,1.86,;-9.51,3.4,;-8.18,4.17,;-6.84,3.4,;-6.84,1.86,;-5.51,1.08,;-4.18,1.85,;-4.18,3.39,;-2.84,4.16,;-1.51,3.4,;-.18,4.17,;1.16,3.4,;2.49,4.17,;2.49,5.71,;1.16,6.48,;3.83,6.48,;5.16,5.71,;5.16,4.17,;3.83,3.39,;3.83,1.85,;1.16,1.86,;2.49,1.09,;-.18,1.09,;-.18,-.45,;-1.51,1.86,;-2.84,1.08,;-8.18,1.08,)| Show InChI InChI=1S/C21H16Cl2N4OS/c1-27-19-12(9-15(20(27)28)18-16(22)7-4-8-17(18)23)11-24-21(26-19)25-13-5-3-6-14(10-13)29-2/h3-11H,1-2H3,(H,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for BRAF kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50176319 (2-chloro-4-(2-phenyl-5-(pyridin-4-yl)-1H-imidazol-...) Show SMILES Clc1cc(ccc1CN=O)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1 Show InChI InChI=1S/C21H15ClN4O/c22-18-12-16(6-7-17(18)13-24-27)20-19(14-8-10-23-11-9-14)25-21(26-20)15-4-2-1-3-5-15/h1-12H,13H2,(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at bRaf kinase in fluorescent ligand displacement assay				Bioorg Med Chem Lett 16: 378-81 (2005) Article DOI: 10.1016/j.bmcl.2005.09.072 BindingDB Entry DOI: 10.7270/Q2Z038Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM26045 ((1E)-5-{2-[1-(2-methoxyethyl)piperidin-4-yl]-5-(py...) Show SMILES COCCN1CCC(CC1)c1nc(c([nH]1)-c1ccc2C(CCc2c1)N=O)-c1ccncc1 Show InChI InChI=1S/C25H29N5O2/c1-32-15-14-30-12-8-18(9-13-30)25-27-23(17-6-10-26-11-7-17)24(28-25)20-2-4-21-19(16-20)3-5-22(21)29-31/h2,4,6-7,10-11,16,18,22H,3,5,8-9,12-15H2,1H3,(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6.30	n/a	n/a	n/a	7.5	22
GSK					Assay Description The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...				Bioorg Med Chem Lett 18: 4373-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.070 BindingDB Entry DOI: 10.7270/Q26D5R86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM26056 ((1E)-5-[5-(morpholin-4-ylmethyl)-2-(pyridin-4-yl)f...) Show SMILES O=NC1CCc2cc(ccc12)-c1cc(CN2CCOCC2)oc1-c1ccncc1 Show InChI InChI=1S/C23H23N3O3/c27-25-22-4-2-17-13-18(1-3-20(17)22)21-14-19(15-26-9-11-28-12-10-26)29-23(21)16-5-7-24-8-6-16/h1,3,5-8,13-14,22H,2,4,9-12,15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	7.20	n/a	n/a	n/a	7.5	22
GSK					Assay Description The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...				Bioorg Med Chem Lett 18: 4373-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.070 BindingDB Entry DOI: 10.7270/Q26D5R86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50514787 (CHEMBL4449322) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(CNC(=O)CCCCNc3ccc4C(=O)N(C5CCC(=O)N(C)C5=O)C(=O)c4c3)cc2)c1F Show InChI InChI=1S/C43H41F2N7O8S/c1-3-18-61(59,60)50-33-14-13-32(44)37(38(33)45)39(55)31-23-49-40-29(31)19-26(22-48-40)25-9-7-24(8-10-25)21-47-35(53)6-4-5-17-46-27-11-12-28-30(20-27)42(57)52(41(28)56)34-15-16-36(54)51(2)43(34)58/h7-14,19-20,22-23,34,46,50H,3-6,15-18,21H2,1-2H3,(H,47,53)(H,48,49)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a
Cullgen Inc. Curated by ChEMBL					Assay Description Binding affinity to DNA-tagged BRAF (unknown origin) V600E mutant by KINOMEscan assay				J Med Chem 63: 4069-4080 (2020) Article DOI: 10.1021/acs.jmedchem.9b02083 BindingDB Entry DOI: 10.7270/Q2XD1511
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50077961 (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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at bRaf kinase in fluorescent ligand displacement assay				Bioorg Med Chem Lett 16: 378-81 (2005) Article DOI: 10.1016/j.bmcl.2005.09.072 BindingDB Entry DOI: 10.7270/Q2Z038Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50514786 (CHEMBL4541406) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(CNC(=O)CCCCNc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)cc2)c1F Show InChI InChI=1S/C42H39F2N7O8S/c1-2-17-60(58,59)50-32-13-12-31(43)36(37(32)44)38(54)30-22-48-39-28(30)18-25(21-47-39)24-8-6-23(7-9-24)20-46-34(52)5-3-4-16-45-26-10-11-27-29(19-26)42(57)51(41(27)56)33-14-15-35(53)49-40(33)55/h6-13,18-19,21-22,33,45,50H,2-5,14-17,20H2,1H3,(H,46,52)(H,47,48)(H,49,53,55)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a
Cullgen Inc. Curated by ChEMBL					Assay Description Binding affinity to DNA-tagged BRAF (unknown origin) by KINOMEscan assay				J Med Chem 63: 4069-4080 (2020) Article DOI: 10.1021/acs.jmedchem.9b02083 BindingDB Entry DOI: 10.7270/Q2XD1511
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50176320 (CHEMBL381447 | N-(2-(4-(4-chloro-3-hydroxyphenyl)-...) Show SMILES CC(C)(CNS(C)(=O)=O)c1nc(c([nH]1)-c1ccc(Cl)c(O)c1)-c1ccncc1 Show InChI InChI=1S/C19H21ClN4O3S/c1-19(2,11-22-28(3,26)27)18-23-16(12-6-8-21-9-7-12)17(24-18)13-4-5-14(20)15(25)10-13/h4-10,22,25H,11H2,1-3H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at bRaf kinase in fluorescent ligand displacement assay				Bioorg Med Chem Lett 16: 378-81 (2005) Article DOI: 10.1016/j.bmcl.2005.09.072 BindingDB Entry DOI: 10.7270/Q2Z038Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50176339 (1-(4-(2-phenyl-5-(pyridin-4-yl)-1H-imidazol-4-yl)p...) Show SMILES CC(N=O)c1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1 Show InChI InChI=1S/C22H18N4O/c1-15(26-27)16-7-9-17(10-8-16)20-21(18-11-13-23-14-12-18)25-22(24-20)19-5-3-2-4-6-19/h2-15H,1H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at bRaf kinase in fluorescent ligand displacement assay				Bioorg Med Chem Lett 16: 378-81 (2005) Article DOI: 10.1016/j.bmcl.2005.09.072 BindingDB Entry DOI: 10.7270/Q2Z038Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50176326 (2-chloro-5-(2-phenyl-5-(pyrimidin-4-yl)-1H-imidazo...) Show SMILES Oc1cc(ccc1Cl)-c1[nH]c(nc1-c1ccncn1)-c1ccccc1 Show InChI InChI=1S/C19H13ClN4O/c20-14-7-6-13(10-16(14)25)17-18(15-8-9-21-11-22-15)24-19(23-17)12-4-2-1-3-5-12/h1-11,25H,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at bRaf kinase in fluorescent ligand displacement assay				Bioorg Med Chem Lett 16: 378-81 (2005) Article DOI: 10.1016/j.bmcl.2005.09.072 BindingDB Entry DOI: 10.7270/Q2Z038Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50382959 (CEP-32496 | CHEMBL2029988 | US9730937, Example 261) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC Show InChI InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02167 BindingDB Entry DOI: 10.7270/Q22R3WQ4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50514786 (CHEMBL4541406) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(cc23)-c2ccc(CNC(=O)CCCCNc3ccc4C(=O)N(C5CCC(=O)NC5=O)C(=O)c4c3)cc2)c1F Show InChI InChI=1S/C42H39F2N7O8S/c1-2-17-60(58,59)50-32-13-12-31(43)36(37(32)44)38(54)30-22-48-39-28(30)18-25(21-47-39)24-8-6-23(7-9-24)20-46-34(52)5-3-4-16-45-26-10-11-27-29(19-26)42(57)51(41(27)56)33-14-15-35(53)49-40(33)55/h6-13,18-19,21-22,33,45,50H,2-5,14-17,20H2,1H3,(H,46,52)(H,47,48)(H,49,53,55)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a
Cullgen Inc. Curated by ChEMBL					Assay Description Binding affinity to DNA-tagged BRAF (unknown origin) V600E mutant by KINOMEscan assay				J Med Chem 63: 4069-4080 (2020) Article DOI: 10.1021/acs.jmedchem.9b02083 BindingDB Entry DOI: 10.7270/Q2XD1511
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM26046 ((1E)-5-[2-(morpholin-4-ylmethyl)-5-(pyridin-4-yl)-...) Show SMILES O=NC1CCc2cc(ccc12)-c1[nH]c(CN2CCOCC2)nc1-c1ccncc1 Show InChI InChI=1S/C22H23N5O2/c28-26-19-4-2-16-13-17(1-3-18(16)19)22-21(15-5-7-23-8-6-15)24-20(25-22)14-27-9-11-29-12-10-27/h1,3,5-8,13,19H,2,4,9-12,14H2,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	15.8	n/a	n/a	n/a	7.5	22
GSK					Assay Description The kinase enzyme, fluorescent ligand and a variable concentration of test compound are incubated together to reach thermodynamic equilibrium under c...				Bioorg Med Chem Lett 18: 4373-6 (2008) Article DOI: 10.1016/j.bmcl.2008.06.070 BindingDB Entry DOI: 10.7270/Q26D5R86
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50176331 (6-(2-phenyl-5-(pyridin-4-yl)-1H-imidazol-4-yl)-3,4...) Show SMILES O=NC1CCCc2cc(ccc12)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1 Show InChI InChI=1S/C24H20N4O/c29-28-21-8-4-7-18-15-19(9-10-20(18)21)23-22(16-11-13-25-14-12-16)26-24(27-23)17-5-2-1-3-6-17/h1-3,5-6,9-15,21H,4,7-8H2,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at bRaf kinase in fluorescent ligand displacement assay				Bioorg Med Chem Lett 16: 378-81 (2005) Article DOI: 10.1016/j.bmcl.2005.09.072 BindingDB Entry DOI: 10.7270/Q2Z038Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50176323 (1-(2-(4-(4-chloro-3-hydroxyphenyl)-5-(pyridin-4-yl...) Show SMILES CC(C)(CNC(=O)Nc1ccc(Cl)cc1)c1nc(c([nH]1)-c1ccc(Cl)c(O)c1)-c1ccncc1 Show InChI InChI=1S/C25H23Cl2N5O2/c1-25(2,14-29-24(34)30-18-6-4-17(26)5-7-18)23-31-21(15-9-11-28-12-10-15)22(32-23)16-3-8-19(27)20(33)13-16/h3-13,33H,14H2,1-2H3,(H,31,32)(H2,29,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity at bRaf kinase in fluorescent ligand displacement assay				Bioorg Med Chem Lett 16: 378-81 (2005) Article DOI: 10.1016/j.bmcl.2005.09.072 BindingDB Entry DOI: 10.7270/Q2Z038Z9
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 804 total )  |  Next  |  Last  >>

Jump to: