Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50165428'   

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))	BDBM50165428 (CHEMBL196240 | [(S)-1-((R)-1-Phenyl-ethylaminooxal...) Show SMILES CCCC[C@H](NC(=O)O[C@H]1CCc2ccccc12)C(=O)C(=O)N[C@H](C)c1ccccc1 Show InChI InChI=1S/C25H30N2O4/c1-3-4-14-21(23(28)24(29)26-17(2)18-10-6-5-7-11-18)27-25(30)31-22-16-15-19-12-8-9-13-20(19)22/h5-13,17,21-22H,3-4,14-16H2,1-2H3,(H,26,29)(H,27,30)/t17-,21+,22+/m1/s1	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	>1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibitory concentration against human cathepsin B by fluorescence assay using 10 uM Cbz-Phe-Arg-AMC				Bioorg Med Chem Lett 15: 2209-13 (2005) Article DOI: 10.1016/j.bmcl.2005.03.023 BindingDB Entry DOI: 10.7270/Q20C4V8V
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