Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50092301'   

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))	BDBM50092301 (1-(Benzo[b]thiophene-2-carbonyl)-piperidine-4-carb...) Show SMILES NC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(CC1)C(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C25H25N3O4S/c26-23(30)22(29)19(14-16-6-2-1-3-7-16)27-24(31)17-10-12-28(13-11-17)25(32)21-15-18-8-4-5-9-20(18)33-21/h1-9,15,17,19H,10-14H2,(H2,26,30)(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
KNOLL AG Curated by ChEMBL					Assay Description Inhibition of human Cathepsin B				Bioorg Med Chem Lett 10: 2187-91 (2001) BindingDB Entry DOI: 10.7270/Q28K78BD
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