Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50287762'   

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))	BDBM50287762 (5-[1-[4-(3-Hydroxy-2-propyl-phenoxymethyl)-phenyl]...) Show SMILES CCCc1c(O)cccc1OCc1ccc(C=C2SC(S)=NC2=O)cc1 |w:16.16,c:21| Show InChI InChI=1S/C20H19NO3S2/c1-2-4-15-16(22)5-3-6-17(15)24-12-14-9-7-13(8-10-14)11-18-19(23)21-20(25)26-18/h3,5-11,22H,2,4,12H2,1H3,(H,21,23,25)	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	2.94E+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
					More data for this Ligand-Target Pair