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 = 'BDBM103642'   

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))	BDBM103642 (US8563553, 67) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(Cl)cc(NS(C)(=O)=O)c1)C1CC1 |r| Show InChI InChI=1S/C22H26ClN7O4S/c1-12(26-22(31)34-2)11-25-21-24-7-6-17(27-21)19-18(28-20(29-19)13-4-5-13)14-8-15(23)10-16(9-14)30-35(3,32)33/h6-10,12-13,30H,4-5,11H2,1-3H3,(H,26,31)(H,28,29)(H,24,25,27)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.480	n/a	n/a	n/a	n/a	7.5	n/a
Novartis AG; IRM LLC US Patent					Assay Description Raf/Mek amplified luminescence proximity homogeneous assay.				US Patent US8563553 (2013) BindingDB Entry DOI: 10.7270/Q2ZP44R7
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