Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50139109'   

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))	BDBM50139109 ((S)-N-((1S,2S,4R)-6-Acetoxy-1-benzyl-2-hydroxy-4-i...) Show SMILES CC(C)CNC(=O)[C@H](CCOC(C)=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(O)=O Show InChI InChI=1S/C29H45N3O8/c1-18(2)13-26(35)32-24(29(38)39)16-27(36)31-23(14-21-9-7-6-8-10-21)25(34)15-22(11-12-40-20(5)33)28(37)30-17-19(3)4/h6-10,18-19,22-25,34H,11-17H2,1-5H3,(H,30,37)(H,31,36)(H,32,35)(H,38,39)/t22-,23+,24+,25+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for inhibition of cathepsin D				Bioorg Med Chem Lett 14: 601-4 (2004) BindingDB Entry DOI: 10.7270/Q21835X0
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