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 = 'BDBM333745'   

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))	BDBM333745 (1-(3-tert- butyl-1- phenyl-1H- pyrazol-5- yl)-3-(3...) Show SMILES COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)c3F)c2cc1OC Show InChI InChI=1S/C30H29FN6O4/c1-30(2,3)25-16-26(37(36-25)18-10-7-6-8-11-18)35-29(38)34-20-12-9-13-22(27(20)31)41-28-19-14-23(39-4)24(40-5)15-21(19)32-17-33-28/h6-17H,1-5H3,(H2,34,35,38)	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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