Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50392206'   

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 B (Homo sapiens (Human))	BDBM50392206 (CHEMBL2153169) Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1cccs1)C(=O)NCC#N Show InChI InChI=1S/C18H21N3O4S3/c1-12(2)10-28(24,25)11-13(17(22)20-8-7-19)21-18(23)16-6-5-15(27-16)14-4-3-9-26-14/h3-6,9,12-13H,8,10-11H2,1-2H3,(H,20,22)(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40E+3	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 B using Z-Arg-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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