Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50118388'   

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 (Homo sapiens (Human))	BDBM50118388 (CHEMBL3613309) Show SMILES CNS(=O)(=O)c1ccc(N2CCOCC2)c(Nc2ncnc3[nH]c(cc23)-c2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C24H23F3N6O3S/c1-28-37(34,35)17-5-6-21(33-7-9-36-10-8-33)20(12-17)32-23-18-13-19(31-22(18)29-14-30-23)15-3-2-4-16(11-15)24(25,26)27/h2-6,11-14,28H,7-10H2,1H3,(H2,29,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of His6-tagged full length BRAF V600E mutant (2 to 766 residues) (unknown origin) expressed in Baculovirus expression system by BRAMA meth...				J Med Chem 58: 7431-48 (2015) Article DOI: 10.1021/acs.jmedchem.5b00931 BindingDB Entry DOI: 10.7270/Q2FT8NV1
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