Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50484269'   

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))	BDBM50484269 (CHEMBL1824068) Show SMILES COc1cc2ncnc(Nc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC Show InChI InChI=1S/C24H26N6O4/c1-24(2,3)20-12-21(30-34-20)29-23(31)28-15-8-6-7-14(9-15)27-22-16-10-18(32-4)19(33-5)11-17(16)25-13-26-22/h6-13H,1-5H3,(H,25,26,27)(H2,28,29,30,31)	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	82	n/a	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Inhibition of BRAF V600E mutant-dependent MEK phosphorylation in A375 cells				Bioorg Med Chem Lett 21: 5342-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.019 BindingDB Entry DOI: 10.7270/Q24T6N6Z
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50484269 (CHEMBL1824068) Show SMILES COc1cc2ncnc(Nc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C)c3)c2cc1OC Show InChI InChI=1S/C24H26N6O4/c1-24(2,3)20-12-21(30-34-20)29-23(31)28-15-8-6-7-14(9-15)27-22-16-10-18(32-4)19(33-5)11-17(16)25-13-26-22/h6-13H,1-5H3,(H,25,26,27)(H2,28,29,30,31)	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	40	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Corporation Curated by ChEMBL					Assay Description Binding affinity to BRAF V600E mutant				Bioorg Med Chem Lett 21: 5342-6 (2011) Article DOI: 10.1016/j.bmcl.2011.07.019 BindingDB Entry DOI: 10.7270/Q24T6N6Z
					More data for this Ligand-Target Pair