Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50146591'   

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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50146591 (CHEMBL3763692) Show SMILES Fc1ccc(cc1C(F)(F)F)C(=O)Nc1nccn2c(cnc12)-c1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C28H16ClF7N6O2/c29-20-6-5-17(12-18(20)27(31,32)33)40-26(44)39-16-3-1-2-14(10-16)22-13-38-24-23(37-8-9-42(22)24)41-25(43)15-4-7-21(30)19(11-15)28(34,35)36/h1-13H,(H,37,41,43)(H2,39,40,44)	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	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of B-Raf V600E mutant (unknown origin) using MEK1 K97M as substrate preincubated for 90 mins followed by substrate addition measured after...				Eur J Med Chem 108: 623-43 (2016) Article DOI: 10.1016/j.ejmech.2015.12.001 BindingDB Entry DOI: 10.7270/Q2Z60QX5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50146591 (CHEMBL3763692) Show SMILES Fc1ccc(cc1C(F)(F)F)C(=O)Nc1nccn2c(cnc12)-c1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1 Show InChI InChI=1S/C28H16ClF7N6O2/c29-20-6-5-17(12-18(20)27(31,32)33)40-26(44)39-16-3-1-2-14(10-16)22-13-38-24-23(37-8-9-42(22)24)41-25(43)15-4-7-21(30)19(11-15)28(34,35)36/h1-13H,(H,37,41,43)(H2,39,40,44)	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	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Semmelweis University Curated by ChEMBL					Assay Description Inhibition of wild-type B-Raf (unknown origin) using MEK1 K97M as substrate preincubated for 90 mins followed by substrate addition measured after 1 ...				Eur J Med Chem 108: 623-43 (2016) Article DOI: 10.1016/j.ejmech.2015.12.001 BindingDB Entry DOI: 10.7270/Q2Z60QX5
					More data for this Ligand-Target Pair