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 = 'BDBM104854'   

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))	BDBM104854 (US8569316, III-21) Show SMILES COc1c(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(NC5CCOC5)nc34)c2)cc(cc1NS(C)(=O)=O)C(C)(C)C Show InChI InChI=1S/C31H37N7O5S/c1-18-7-8-19(30(39)36-24-14-20(31(2,3)4)15-25(28(24)42-5)38-44(6,40)41)13-23(18)35-29-27-22(32-17-33-29)9-10-26(37-27)34-21-11-12-43-16-21/h7-10,13-15,17,21,38H,11-12,16H2,1-6H3,(H,34,37)(H,36,39)(H,32,33,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description In vitro kinase assay.				US Patent US8569316 (2013) BindingDB Entry DOI: 10.7270/Q29W0D44
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