Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50392214'   

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))	BDBM50392214 (CHEMBL2153167) Show SMILES CC(C)CS(=O)(=O)CC(NC(=O)c1ccc(s1)-c1nnn[nH]1)C(=O)NCC#N Show InChI InChI=1S/C15H19N7O4S2/c1-9(2)7-28(25,26)8-10(14(23)17-6-5-16)18-15(24)12-4-3-11(27-12)13-19-21-22-20-13/h3-4,9-10H,6-8H2,1-2H3,(H,17,23)(H,18,24)(H,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.40E+4	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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