Compile Data Set for Download or QSAR

Found 28 hits Enz. Inhib. hit(s) with all data for entry = 50038528   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50377765 (CHEMBL254966) Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)C2CC2)c1 Show InChI InChI=1S/C31H26ClN7O2/c32-22-11-7-18(8-12-22)15-26(40)35-23-5-1-3-20(16-23)27-28(39-30(38-27)19-9-10-19)25-13-14-34-31(37-25)36-24-6-2-4-21(17-24)29(33)41/h1-8,11-14,16-17,19H,9-10,15H2,(H2,33,41)(H,35,40)(H,38,39)(H,34,36,37)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of C-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50377766 (CHEMBL403854) Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C1CC1 Show InChI InChI=1S/C25H23ClN6O/c1-27-25-28-12-11-20(30-25)23-22(31-24(32-23)16-7-8-16)17-3-2-4-19(14-17)29-21(33)13-15-5-9-18(26)10-6-15/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,29,33)(H,31,32)(H,27,28,30)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of C-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50377767 (CHEMBL429498) Show SMILES Clc1ccc(CC(=O)Nc2cccc(c2)-c2[nH]c(nc2-c2ccnc(NCCN3CCNC3=O)n2)C2CC2)cc1 Show InChI InChI=1S/C29H29ClN8O2/c30-21-8-4-18(5-9-21)16-24(39)34-22-3-1-2-20(17-22)25-26(37-27(36-25)19-6-7-19)23-10-11-31-28(35-23)32-12-14-38-15-13-33-29(38)40/h1-5,8-11,17,19H,6-7,12-16H2,(H,33,40)(H,34,39)(H,36,37)(H,31,32,35)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of C-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50377763 (CHEMBL258454) Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C(F)(F)F Show InChI InChI=1S/C23H18ClF3N6O/c1-28-22-29-10-9-17(31-22)20-19(32-21(33-20)23(25,26)27)14-3-2-4-16(12-14)30-18(34)11-13-5-7-15(24)8-6-13/h2-10,12H,11H2,1H3,(H,30,34)(H,32,33)(H,28,29,31)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of C-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/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)	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	DrugBank Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of C-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50377765 (CHEMBL254966) Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)C2CC2)c1 Show InChI InChI=1S/C31H26ClN7O2/c32-22-11-7-18(8-12-22)15-26(40)35-23-5-1-3-20(16-23)27-28(39-30(38-27)19-9-10-19)25-13-14-34-31(37-25)36-24-6-2-4-21(17-24)29(33)41/h1-8,11-14,16-17,19H,9-10,15H2,(H2,33,41)(H,35,40)(H,38,39)(H,34,36,37)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of B-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50377761 (CHEMBL430413) Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1)C1CC1 Show InChI InChI=1S/C25H21ClF3N7O/c1-30-23-31-10-9-19(34-23)21-20(35-22(36-21)13-5-6-13)14-3-2-4-15(11-14)32-24(37)33-16-7-8-18(26)17(12-16)25(27,28)29/h2-4,7-13H,5-6H2,1H3,(H,35,36)(H,30,31,34)(H2,32,33,37)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of C-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50377767 (CHEMBL429498) Show SMILES Clc1ccc(CC(=O)Nc2cccc(c2)-c2[nH]c(nc2-c2ccnc(NCCN3CCNC3=O)n2)C2CC2)cc1 Show InChI InChI=1S/C29H29ClN8O2/c30-21-8-4-18(5-9-21)16-24(39)34-22-3-1-2-20(17-22)25-26(37-27(36-25)19-6-7-19)23-10-11-31-28(35-23)32-12-14-38-15-13-33-29(38)40/h1-5,8-11,17,19H,6-7,12-16H2,(H,33,40)(H,34,39)(H,36,37)(H,31,32,35)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of B-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50377766 (CHEMBL403854) Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C1CC1 Show InChI InChI=1S/C25H23ClN6O/c1-27-25-28-12-11-20(30-25)23-22(31-24(32-23)16-7-8-16)17-3-2-4-19(14-17)29-21(33)13-15-5-9-18(26)10-6-15/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,29,33)(H,31,32)(H,27,28,30)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of B-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50377771 (CHEMBL401710) Show SMILES Clc1ccc(Cl)c(c1)-c1[nH]c(nc1-c1ccnc(NCCN2CCNC2=O)n1)C1CC1 Show InChI InChI=1S/C21H21Cl2N7O/c22-13-3-4-15(23)14(11-13)17-18(29-19(28-17)12-1-2-12)16-5-6-24-20(27-16)25-7-9-30-10-8-26-21(30)31/h3-6,11-12H,1-2,7-10H2,(H,26,31)(H,28,29)(H,24,25,27)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of B-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50377758 (CHEMBL256921) Show SMILES FC(F)(F)c1cc(NC(=O)Nc2cccc(c2)-c2[nH]c(nc2-c2ccnc(NCCN3CCNC3=O)n2)C2CC2)ccc1Cl Show InChI InChI=1S/C29H27ClF3N9O2/c30-21-7-6-19(15-20(21)29(31,32)33)38-27(43)37-18-3-1-2-17(14-18)23-24(41-25(40-23)16-4-5-16)22-8-9-34-26(39-22)35-10-12-42-13-11-36-28(42)44/h1-3,6-9,14-16H,4-5,10-13H2,(H,36,44)(H,40,41)(H,34,35,39)(H2,37,38,43)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of C-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM16673 (4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...) Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/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)	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	DrugBank PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of B-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50377762 (CHEMBL256775) Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H21ClF3N7O2/c30-19-9-7-16(8-10-19)13-23(41)36-20-5-1-3-17(14-20)24-25(40-27(39-24)29(31,32)33)22-11-12-35-28(38-22)37-21-6-2-4-18(15-21)26(34)42/h1-12,14-15H,13H2,(H2,34,42)(H,36,41)(H,39,40)(H,35,37,38)	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	17	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of C-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50377764 (CHEMBL254965) Show SMILES FC(F)(F)c1nc(c([nH]1)-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)-c1ccnc(NCCN2CCNC2=O)n1 Show InChI InChI=1S/C27H24ClF3N8O2/c28-18-6-4-16(5-7-18)14-21(40)35-19-3-1-2-17(15-19)22-23(38-24(37-22)27(29,30)31)20-8-9-32-25(36-20)33-10-12-39-13-11-34-26(39)41/h1-9,15H,10-14H2,(H,34,41)(H,35,40)(H,37,38)(H,32,33,36)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of C-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50377761 (CHEMBL430413) Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1)C1CC1 Show InChI InChI=1S/C25H21ClF3N7O/c1-30-23-31-10-9-19(34-23)21-20(35-22(36-21)13-5-6-13)14-3-2-4-15(11-14)32-24(37)33-16-7-8-18(26)17(12-16)25(27,28)29/h2-4,7-13H,5-6H2,1H3,(H,35,36)(H,30,31,34)(H2,32,33,37)	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	21	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of B-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50377769 (CHEMBL402029) Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1)C1CC1 Show InChI InChI=1S/C24H22Cl2N6O2S/c1-27-24-28-10-9-20(29-24)22-21(30-23(31-22)15-6-7-15)16-3-2-4-17(12-16)32-35(33,34)13-14-5-8-18(25)19(26)11-14/h2-5,8-12,15,32H,6-7,13H2,1H3,(H,30,31)(H,27,28,29)	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	26	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of C-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50377763 (CHEMBL258454) Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)C(F)(F)F Show InChI InChI=1S/C23H18ClF3N6O/c1-28-22-29-10-9-17(31-22)20-19(32-21(33-20)23(25,26)27)14-3-2-4-16(12-14)30-18(34)11-13-5-7-15(24)8-6-13/h2-10,12H,11H2,1H3,(H,30,34)(H,32,33)(H,28,29,31)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of B-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50377760 (CHEMBL255496) Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2)C2CC2)c1 Show InChI InChI=1S/C31H24ClF3N8O2/c32-23-10-9-21(15-22(23)31(33,34)35)40-30(45)39-20-6-1-3-17(13-20)25-26(43-28(42-25)16-7-8-16)24-11-12-37-29(41-24)38-19-5-2-4-18(14-19)27(36)44/h1-6,9-16H,7-8H2,(H2,36,44)(H,42,43)(H,37,38,41)(H2,39,40,45)	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of C-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50377760 (CHEMBL255496) Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2)C2CC2)c1 Show InChI InChI=1S/C31H24ClF3N8O2/c32-23-10-9-21(15-22(23)31(33,34)35)40-30(45)39-20-6-1-3-17(13-20)25-26(43-28(42-25)16-7-8-16)24-11-12-37-29(41-24)38-19-5-2-4-18(14-19)27(36)44/h1-6,9-16H,7-8H2,(H2,36,44)(H,42,43)(H,37,38,41)(H2,39,40,45)	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of B-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50377759 (CHEMBL255497) Show SMILES Clc1ccc(CS(=O)(=O)Nc2cccc(c2)-c2[nH]c(nc2-c2ccnc(NCCN3CCNC3=O)n2)C2CC2)cc1Cl Show InChI InChI=1S/C28H28Cl2N8O3S/c29-21-7-4-17(14-22(21)30)16-42(40,41)37-20-3-1-2-19(15-20)24-25(36-26(35-24)18-5-6-18)23-8-9-31-27(34-23)32-10-12-38-13-11-33-28(38)39/h1-4,7-9,14-15,18,37H,5-6,10-13,16H2,(H,33,39)(H,35,36)(H,31,32,34)	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	41	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of C-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50377768 (CHEMBL402424) Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c2)C2CC2)c1 Show InChI InChI=1S/C30H25Cl2N7O3S/c31-23-10-7-17(13-24(23)32)16-43(41,42)39-22-6-1-3-19(14-22)26-27(38-29(37-26)18-8-9-18)25-11-12-34-30(36-25)35-21-5-2-4-20(15-21)28(33)40/h1-7,10-15,18,39H,8-9,16H2,(H2,33,40)(H,37,38)(H,34,35,36)	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	49	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of C-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50377764 (CHEMBL254965) Show SMILES FC(F)(F)c1nc(c([nH]1)-c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1)-c1ccnc(NCCN2CCNC2=O)n1 Show InChI InChI=1S/C27H24ClF3N8O2/c28-18-6-4-16(5-7-18)14-21(40)35-19-3-1-2-17(15-19)22-23(38-24(37-22)27(29,30)31)20-8-9-32-25(36-20)33-10-12-39-13-11-34-26(39)41/h1-9,15H,10-14H2,(H,34,41)(H,35,40)(H,37,38)(H,32,33,36)	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	54	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of B-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50377758 (CHEMBL256921) Show SMILES FC(F)(F)c1cc(NC(=O)Nc2cccc(c2)-c2[nH]c(nc2-c2ccnc(NCCN3CCNC3=O)n2)C2CC2)ccc1Cl Show InChI InChI=1S/C29H27ClF3N9O2/c30-21-7-6-19(15-20(21)29(31,32)33)38-27(43)37-18-3-1-2-17(14-18)23-24(41-25(40-23)16-4-5-16)22-8-9-34-26(39-22)35-10-12-42-13-11-36-28(42)44/h1-3,6-9,14-16H,4-5,10-13H2,(H,36,44)(H,40,41)(H,34,35,39)(H2,37,38,43)	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	66	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of B-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50377770 (CHEMBL257986) Show SMILES CC(C)(C)NC(=O)NCCNc1nccc(n1)-c1nc([nH]c1-c1ccccc1Cl)C1CC1 Show InChI InChI=1S/C23H28ClN7O/c1-23(2,3)31-22(32)27-13-12-26-21-25-11-10-17(28-21)19-18(15-6-4-5-7-16(15)24)29-20(30-19)14-8-9-14/h4-7,10-11,14H,8-9,12-13H2,1-3H3,(H,29,30)(H,25,26,28)(H2,27,31,32)	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	83	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of B-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50377762 (CHEMBL256775) Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)C(F)(F)F)c1 Show InChI InChI=1S/C29H21ClF3N7O2/c30-19-9-7-16(8-10-19)13-23(41)36-20-5-1-3-17(14-20)24-25(40-27(39-24)29(31,32)33)22-11-12-35-28(38-22)37-21-6-2-4-18(15-21)26(34)42/h1-12,14-15H,13H2,(H2,34,42)(H,36,41)(H,39,40)(H,35,37,38)	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	108	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of B-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50377759 (CHEMBL255497) Show SMILES Clc1ccc(CS(=O)(=O)Nc2cccc(c2)-c2[nH]c(nc2-c2ccnc(NCCN3CCNC3=O)n2)C2CC2)cc1Cl Show InChI InChI=1S/C28H28Cl2N8O3S/c29-21-7-4-17(14-22(21)30)16-42(40,41)37-20-3-1-2-19(15-20)24-25(36-26(35-24)18-5-6-18)23-8-9-31-27(34-23)32-10-12-38-13-11-33-28(38)39/h1-4,7-9,14-15,18,37H,5-6,10-13,16H2,(H,33,39)(H,35,36)(H,31,32,34)	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	343	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of B-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50377769 (CHEMBL402029) Show SMILES CNc1nccc(n1)-c1nc([nH]c1-c1cccc(NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c1)C1CC1 Show InChI InChI=1S/C24H22Cl2N6O2S/c1-27-24-28-10-9-20(29-24)22-21(30-23(31-22)15-6-7-15)16-3-2-4-17(12-16)32-35(33,34)13-14-5-8-18(25)19(26)11-14/h2-5,8-12,15,32H,6-7,13H2,1H3,(H,30,31)(H,27,28,29)	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	469	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of B-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50377768 (CHEMBL402424) Show SMILES NC(=O)c1cccc(Nc2nccc(n2)-c2nc([nH]c2-c2cccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c2)C2CC2)c1 Show InChI InChI=1S/C30H25Cl2N7O3S/c31-23-10-7-17(13-24(23)32)16-43(41,42)39-22-6-1-3-19(14-22)26-27(38-29(37-26)18-8-9-18)25-11-12-34-30(36-25)35-21-5-2-4-20(15-21)28(33)40/h1-7,10-15,18,39H,8-9,16H2,(H2,33,40)(H,37,38)(H,34,35,36)	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	887	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Inhibition of B-RAF kinase				Bioorg Med Chem Lett 18: 2825-9 (2008) Article DOI: 10.1016/j.bmcl.2008.04.002 BindingDB Entry DOI: 10.7270/Q2DJ5GH8
					More data for this Ligand-Target Pair