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 = 'BDBM333608'   

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))	BDBM333608 (1-(3-tert- butyl-1- methyl-1H- pyrazol-5- yl)-3-(3...) Show SMILES COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(nn4C)C(C)(C)C)c3)c2cc1OC Show InChI InChI=1S/C25H28N6O3S/c1-25(2,3)21-13-22(31(4)30-21)29-24(32)28-15-8-7-9-16(10-15)35-23-17-11-19(33-5)20(34-6)12-18(17)26-14-27-23/h7-14H,1-6H3,(H2,28,29,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<250	n/a	n/a	n/a	n/a	n/a
AMBIT BIOSCIENCES CORPORATION US Patent					Assay Description Competition binding assays used herein were developed, validated and performed as described in Fabian et al., Nature Biotechnology 2005, 23, 329-336....				US Patent US9730937 (2017) BindingDB Entry DOI: 10.7270/Q2M32XVC
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