Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50071562'   

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))	BDBM50071562 (3-Hydroxy-4-{(S)-2-[2-(naphthalen-2-yloxy)-acetyla...) Show SMILES CCCCNC(=O)CC(O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)c1ccccc1 Show InChI InChI=1S/C35H39N3O5/c1-2-3-20-36-32(40)23-31(39)30(21-25-12-6-4-7-13-25)37-35(42)34(27-15-8-5-9-16-27)38-33(41)24-43-29-19-18-26-14-10-11-17-28(26)22-29/h4-19,22,30-31,34,39H,2-3,20-21,23-24H2,1H3,(H,36,40)(H,37,42)(H,38,41)/t30?,31?,34-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacopeia, Inc. Curated by ChEMBL					Assay Description Inhibitory activity against cathepsin D				Bioorg Med Chem Lett 8: 2315-20 (1999) BindingDB Entry DOI: 10.7270/Q2SN09G9
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