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 = 'BDBM103654'   

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))	BDBM103654 (US8563553, 79) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1cc(F)cc(NS(=O)(=O)C2CC2)c1Cl)C1CC1 |r| Show InChI InChI=1S/C24H27ClFN7O4S/c1-12(29-24(34)37-2)11-28-23-27-8-7-17(30-23)21-20(31-22(32-21)13-3-4-13)16-9-14(26)10-18(19(16)25)33-38(35,36)15-5-6-15/h7-10,12-13,15,33H,3-6,11H2,1-2H3,(H,29,34)(H,31,32)(H,27,28,30)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	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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