Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50076288'   

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))	BDBM50076288 (CHEMBL284955 | Piperidine-4-carboxylic acid [(2S,3...) Show SMILES COc1ccc(CCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)C(=O)C2CCNCC2)cc1 Show InChI InChI=1S/C41H49N3O7/c1-48-34-16-14-29(15-17-34)20-23-44(41(47)32-18-21-42-22-19-32)27-36(45)35(24-30-10-6-4-7-11-30)43-40(46)33-25-37(49-2)39(38(26-33)50-3)51-28-31-12-8-5-9-13-31/h4-17,25-26,32,35-36,42,45H,18-24,27-28H2,1-3H3,(H,43,46)/t35-,36-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against human liver cathepsin D				J Med Chem 42: 1428-40 (1999) Article DOI: 10.1021/jm980641t BindingDB Entry DOI: 10.7270/Q2MS3RZX
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