Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin B' and Ligand = 'BDBM50053801'   

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 (Bos taurus (bovine))	BDBM50053801 ((1-{1-Benzyl-2-[2-hydroxy-2-(4-phenoxy-phenyl)-eth...) Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C38H41N3O7/c1-26(2)22-33(41-38(46)47-25-28-14-8-4-9-15-28)36(44)40-32(23-27-12-6-3-7-13-27)35(43)37(45)39-24-34(42)29-18-20-31(21-19-29)48-30-16-10-5-11-17-30/h3-21,26,32-34,42H,22-25H2,1-2H3,(H,39,45)(H,40,44)(H,41,46)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10E+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 bovine cathepsin B				J Med Chem 39: 4089-98 (1996) Article DOI: 10.1021/jm950541c BindingDB Entry DOI: 10.7270/Q2TX3DGR
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