Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50252525'   

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))	BDBM50252525 (CHEMBL493039 | benzyl 1-(2-cyanopiperazin-1-yl)-3-...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N1CCCCN1C#N Show InChI InChI=1S/C18H24N4O3/c1-14(2)16(17(23)22-11-7-6-10-21(22)13-19)20-18(24)25-12-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-12H2,1-2H3,(H,20,24)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin B				Bioorg Med Chem Lett 18: 3988-91 (2008) Article DOI: 10.1016/j.bmcl.2008.06.017 BindingDB Entry DOI: 10.7270/Q20V8CKF
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