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 = 'BDBM333646'   

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))	BDBM333646 (US9730937, Example 195 | ethyl 2-(3- tert-butyl-5-...) Show SMILES CCOC(=O)Cn1nc(cc1NC(=O)Nc1cccc(Sc2ncnc3cc(OC)c(OC)cc23)c1)C(C)(C)C Show InChI InChI=1S/C28H32N6O5S/c1-7-39-25(35)15-34-24(14-23(33-34)28(2,3)4)32-27(36)31-17-9-8-10-18(11-17)40-26-19-12-21(37-5)22(38-6)13-20(19)29-16-30-26/h8-14,16H,7,15H2,1-6H3,(H2,31,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	375	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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