Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50300774'   

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))	BDBM50300774 (CHEMBL570364 | N-(3'-((2-cyano-9-(3-hydroxypropyl)...) Show SMILES CC(=O)Nc1cccc(c1)-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1 Show InChI InChI=1S/C24H23N7O2/c1-16(33)28-20-8-3-7-19(12-20)18-6-2-5-17(11-18)14-26-23-22-24(30-21(13-25)29-23)31(15-27-22)9-4-10-32/h2-3,5-8,11-12,15,32H,4,9-10,14H2,1H3,(H,28,33)(H,26,29,30)	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	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B				J Med Chem 52: 6489-93 (2009) Article DOI: 10.1021/jm900908p BindingDB Entry DOI: 10.7270/Q2K074BP
					More data for this Ligand-Target Pair