Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase B-raf' and Ligand = 'BDBM25381'   

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))	BDBM25381 (1,7-dibenzyl-8-[(2-hydroxyethyl)sulfanyl]-3-methyl...) Show SMILES Cn1c2nc(SCCO)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O Show InChI InChI=1S/C22H22N4O3S/c1-24-19-18(20(28)26(22(24)29)15-17-10-6-3-7-11-17)25(21(23-19)30-13-12-27)14-16-8-4-2-5-9-16/h2-11,27H,12-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	106	-41.4	1.72E+3	n/a	n/a	n/a	n/a	7.0	37
University of Pennsylvania					Assay Description BRAF kinase activity was quantified using an ELISA-based MEK phosphorylation assay. IC50 values were derived from the sigmoidal dose-response curve f...				J Med Chem 51: 6121-7 (2008) Article DOI: 10.1021/jm800539g BindingDB Entry DOI: 10.7270/Q2BC3WVM
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