Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50250191'   

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))	BDBM50250191 (3-acetyl-6-chloro-2-(2,4-dichlorophenylamino)-8-ni...) Show SMILES CC(=O)c1c(Nc2ccc(Cl)cc2Cl)nc2c(cc(Cl)cc2c1O)[N+]([O-])=O Show InChI InChI=1S/C17H10Cl3N3O4/c1-7(24)14-16(25)10-4-9(19)6-13(23(26)27)15(10)22-17(14)21-12-3-2-8(18)5-11(12)20/h2-6H,1H3,(H2,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Inhibition of human liver cathepsin D after 30 mins by fluorometric end-point assay				J Med Chem 52: 3093-7 (2009) Article DOI: 10.1021/jm8014734 BindingDB Entry DOI: 10.7270/Q2KK9CQ4
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