Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50491873'   

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))	BDBM50491873 (CHEMBL2387617) Show SMILES CCc1ccccc1S(=O)(=O)C1CO1 Show InChI InChI=1S/C10H12O3S/c1-2-8-5-3-4-6-9(8)14(11,12)10-7-13-10/h3-6,10H,2,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The City University of New York Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin B using Z-RR-para-nitroanilide as substrate assessed as reversible equilibrium binding constant by Kitz-Wilson pl...				Bioorg Med Chem 21: 2975-87 (2013) Article DOI: 10.1016/j.bmc.2013.03.062 BindingDB Entry DOI: 10.7270/Q2PG1VNW
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