Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM36567'   

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 D (Homo sapiens (Human))	BDBM36567 (EHO) Show SMILES OC(CN(CCc1ccc2OCOc2c1)C(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H](NC(=O)COc1ccc(Cl)c(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C37H33Cl2N3O8/c38-28-12-11-25(19-29(28)39)48-21-33(44)40-35(24-6-2-1-3-7-24)30(43)20-41(16-14-23-10-13-31-32(18-23)50-22-49-31)34(45)15-17-42-36(46)26-8-4-5-9-27(26)37(42)47/h1-13,18-19,30,35,43H,14-17,20-22H2,(H,40,44)/t30?,35-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	15	n/a	19	n/a	n/a	n/a	n/a	3.7	n/a
University of California Berkeley					Assay Description A fluorometric high through-put assay for inhibitor towards human liver cathepsin D from Calbiochem.				Chem Biol 4: 297-307 (1997) Article DOI: 10.1016/s1074-5521(97)90073-9 BindingDB Entry DOI: 10.7270/Q21R6NW9
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