Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf [V600E]' and Ligand = 'BDBM35324'   

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 [V600E] (Homo sapiens (Human))	BDBM35324 (aminoquinazoline, 18) Show SMILES CNc1ncc2cc(ccc2n1)-c1c(C)ccc2c(Nc3ccc(Cl)cc3)nccc12 Show InChI InChI=1S/C25H20ClN5/c1-15-3-9-21-20(11-12-28-24(21)30-19-7-5-18(26)6-8-19)23(15)16-4-10-22-17(13-16)14-29-25(27-2)31-22/h3-14H,1-2H3,(H,28,30)(H,27,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	270	n/a	n/a	7.0	23
Amgen					Assay Description The in vitro kinase activities of wild type or mutants were determined by measuring phosphorylation of biotinylated-MEK protein using Perkin-Elmer s ...				J Med Chem 52: 6189-92 (2009) Article DOI: 10.1021/jm901081g BindingDB Entry DOI: 10.7270/Q2TH8K26
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