Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50196590'   

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))	BDBM50196590 (CHEMBL252548 | N-((2S,3R)-4-(3-methoxybenzylamino)...) Show SMILES COc1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)CCCS(=O)(=O)C2CCCCC2)c1 Show InChI InChI=1S/C28H40N2O5S/c1-35-24-13-8-12-23(18-24)20-29-21-27(31)26(19-22-10-4-2-5-11-22)30-28(32)16-9-17-36(33,34)25-14-6-3-7-15-25/h2,4-5,8,10-13,18,25-27,29,31H,3,6-7,9,14-17,19-21H2,1H3,(H,30,32)/t26-,27+/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	>2.00E+4	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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