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 = 'BDBM117743'   

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))	BDBM117743 (US8653087, III-423) Show SMILES COCCN1CCN(CC1)c1ncc2ncnc(Nc3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)c2n1 Show InChI InChI=1S/C28H29F3N8O2/c1-18-6-7-19(26(40)35-21-5-3-4-20(15-21)28(29,30)31)14-22(18)36-25-24-23(33-17-34-25)16-32-27(37-24)39-10-8-38(9-11-39)12-13-41-2/h3-7,14-17H,8-13H2,1-2H3,(H,35,40)(H,33,34,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.5	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description The final concentration of DMSO is 5%. 10 μL of the B-Raf (V600E)-kinase solution are pipetted in (containing 0.5 ng B-Raf (V600E)-kinase in 20 ...				US Patent US8653087 (2014) BindingDB Entry DOI: 10.7270/Q2CR5S1G
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