Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50287747'   

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))	BDBM50287747 (5-[1-[4-(4-Benzoyl-2-benzyl-3-hydroxy-phenoxymethy...) Show SMILES Oc1c(Cc2ccccc2)c(OCc2ccc(C=C3SC(S)=NC3=O)cc2)ccc1C(=O)c1ccccc1 |w:17.17,c:22| Show InChI InChI=1S/C31H23NO4S2/c33-28(23-9-5-2-6-10-23)24-15-16-26(25(29(24)34)17-20-7-3-1-4-8-20)36-19-22-13-11-21(12-14-22)18-27-30(35)32-31(37)38-27/h1-16,18,34H,17,19H2,(H,32,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition of cathepsin D.				Bioorg Med Chem Lett 6: 2157-2162 (1996) Article DOI: 10.1016/0960-894X(96)00393-9 BindingDB Entry DOI: 10.7270/Q28G8KPZ
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