Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM50420793'   

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))	BDBM50420793 (CHEMBL2088025) Show SMILES Oc1c(Sc2nnc[nH]2)cc(NS(=O)(=O)c2c(F)ccc(N(Cc3ccccc3)Cc3ccccc3)c2F)c2ccccc12 Show InChI InChI=1S/C32H25F2N5O3S2/c33-25-15-16-27(39(18-21-9-3-1-4-10-21)19-22-11-5-2-6-12-22)29(34)31(25)44(41,42)38-26-17-28(43-32-35-20-36-37-32)30(40)24-14-8-7-13-23(24)26/h1-17,20,38,40H,18-19H2,(H,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of human 6x-His tagged wild type BRAF expressed in Sf9 cells by ELISA based kinase assay				J Med Chem 55: 5220-30 (2012) Article DOI: 10.1021/jm3004416 BindingDB Entry DOI: 10.7270/Q2ZC8451
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