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 = 'BDBM35321'   

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))	BDBM35321 (aminoisoquinoline, 14) Show SMILES CNc1cc(ncn1)-c1cccnc1Nc1c(C)ccc2c(Nc3ccc(cc3)C#N)nccc12 Show InChI InChI=1S/C27H22N8/c1-17-5-10-21-20(11-13-31-26(21)34-19-8-6-18(15-28)7-9-19)25(17)35-27-22(4-3-12-30-27)23-14-24(29-2)33-16-32-23/h3-14,16H,1-2H3,(H,30,35)(H,31,34)(H,29,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	44	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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