Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50053842'   

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))	BDBM50053842 (2-Diphenylacetylamino-4-methyl-pentanoic acid {1-b...) Show SMILES CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccn1 Show InChI InChI=1S/C36H38N4O4/c1-25(2)22-31(40-35(43)32(27-16-8-4-9-17-27)28-18-10-5-11-19-28)34(42)39-30(23-26-14-6-3-7-15-26)33(41)36(44)38-24-29-20-12-13-21-37-29/h3-21,25,30-32H,22-24H2,1-2H3,(H,38,44)(H,39,42)(H,40,43)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
School of Chemistry and Biochemistry Curated by ChEMBL					Assay Description Inhibition of human cathepsin B				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
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