Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50196579'   

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))	BDBM50196579 (CHEMBL252549 | N-((2S,3R)-4-(3-methoxybenzylamino)...) Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCS(C)(=O)=O)c1 Show InChI InChI=1S/C22H30N2O5S/c1-29-19-10-6-9-18(13-19)15-23-16-21(25)20(14-17-7-4-3-5-8-17)24-22(26)11-12-30(2,27)28/h3-10,13,20-21,23,25H,11-12,14-16H2,1-2H3,(H,24,26)/t20-,21+/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	n/a	n/a	7.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin D				Bioorg Med Chem Lett 17: 73-7 (2006) Article DOI: 10.1016/j.bmcl.2006.09.092 BindingDB Entry DOI: 10.7270/Q2FX793P
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