Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50323267'   

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
Cathepsin S (Homo sapiens (Human))	BDBM50323267 (6-(4-(benzyloxy)-3-(trifluoromethyl)phenyl)-1H-imi...) Show SMILES FC(F)(F)c1cc(ccc1OCc1ccccc1)-c1cc2[nH]cnc2c(n1)C#N Show InChI InChI=1S/C21H13F3N4O/c22-21(23,24)15-8-14(6-7-19(15)29-11-13-4-2-1-3-5-13)16-9-17-20(27-12-26-17)18(10-25)28-16/h1-9,12H,11H2,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	676	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human cathepsin S by fluorescence assay				Bioorg Med Chem Lett 20: 4350-4 (2010) Article DOI: 10.1016/j.bmcl.2010.06.072 BindingDB Entry DOI: 10.7270/Q2028RR9
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