Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin S' and Ligand = 'BDBM50392205'   

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))	BDBM50392205 (CHEMBL2153168) Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(cc1)-c1cccs1)C(=O)NCC#N Show InChI InChI=1S/C20H23N3O4S2/c1-14(2)12-29(26,27)13-17(20(25)22-10-9-21)23-19(24)16-7-5-15(6-8-16)18-4-3-11-28-18/h3-8,11,14,17H,10,12-13H2,1-2H3,(H,22,25)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human cathepsin S using Z-Phe-Val-Arg-pNA as substrate after 10 mins by spectrophotometric analysis				J Med Chem 55: 5982-6 (2012) Article DOI: 10.1021/jm300734k BindingDB Entry DOI: 10.7270/Q2833T40
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