Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50312063'   

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))	BDBM50312063 (CHEMBL1076497 | N-(3-(3-(6-(4-methylpiperazin-1-yl...) Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C30H26F3N7O/c1-38-12-14-39(15-13-38)27-9-8-22(18-35-27)25-19-36-40-26(10-11-34-28(25)40)20-4-3-7-24(17-20)37-29(41)21-5-2-6-23(16-21)30(31,32)33/h2-11,16-19H,12-15H2,1H3,(H,37,41)	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	44	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human recombinant B-Raf expressed in Sf9 cells				Bioorg Med Chem Lett 19: 6519-23 (2009) Article DOI: 10.1016/j.bmcl.2009.10.049 BindingDB Entry DOI: 10.7270/Q2SX6DC7
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