Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50287742'   

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))	BDBM50287742 (5-[1-[4-(4-Acetyl-3-methoxy-2-propyl-benzyloxy)-ph...) Show SMILES CCCc1c(COc2ccc(C=C3SC(S)=NC3=O)cc2)ccc(C(C)=O)c1OC |w:11.10,c:15| Show InChI InChI=1S/C23H23NO4S2/c1-4-5-19-16(8-11-18(14(2)25)21(19)27-3)13-28-17-9-6-15(7-10-17)12-20-22(26)24-23(29)30-20/h6-12H,4-5,13H2,1-3H3,(H,24,26,29)	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	1.86E+3	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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