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 = 'BDBM103707'   

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))	BDBM103707 (US8563553, 132) Show SMILES COC(=O)N[C@@H](C)CNc1nccc(n1)-c1nc([nH]c1-c1c(F)ccc(NS(C)(=O)=O)c1Cl)C1CC1 |r,wD:5.5,(9.34,-1.06,;8.01,-1.83,;6.67,-1.06,;6.67,.48,;5.34,-1.83,;4.01,-1.06,;4.01,.48,;2.67,-1.83,;1.34,-1.06,;.01,-1.83,;.01,-3.37,;-1.33,-4.14,;-2.66,-3.37,;-2.66,-1.83,;-1.33,-1.06,;-4,-1.06,;-5.46,-1.54,;-6.37,-.29,;-5.46,.95,;-4,.48,;-2.91,1.57,;-3.31,3.05,;-4.79,3.45,;-2.22,4.14,;-.73,3.74,;-.33,2.26,;1.16,1.86,;2.25,2.95,;3.33,4.04,;1.16,4.04,;3.33,1.86,;-1.42,1.17,;-1.02,-.32,;-7.85,-.69,;-9.34,-.29,;-8.94,-1.78,)| Show InChI InChI=1S/C22H25ClFN7O4S/c1-11(27-22(32)35-2)10-26-21-25-9-8-15(28-21)18-19(30-20(29-18)12-4-5-12)16-13(24)6-7-14(17(16)23)31-36(3,33)34/h6-9,11-12,31H,4-5,10H2,1-3H3,(H,27,32)(H,29,30)(H,25,26,28)/t11-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	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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