Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50179529'   

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))	BDBM50179529 (CHEMBL3814639) Show SMILES CN(C)C(=O)Oc1ccc2c(c1)oc(=O)n(Cc1cccc(NS(=O)(=O)NCc3ccccc3)c1F)c2=O Show InChI InChI=1S/C25H23FN4O7S/c1-29(2)24(32)36-18-11-12-19-21(13-18)37-25(33)30(23(19)31)15-17-9-6-10-20(22(17)26)28-38(34,35)27-14-16-7-4-3-5-8-16/h3-13,27-28H,14-15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Health Science Center Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human BRAF/MEK1/RAF1 Y340D/Y341D double mutant measured after 2 hrs in presence of ATP by TR-FRET assay				Bioorg Med Chem 24: 3472-82 (2016) Article DOI: 10.1016/j.bmc.2016.05.055 BindingDB Entry DOI: 10.7270/Q251415P
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