Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50010843'   

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))	BDBM50010843 (CHEMBL3264805) Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cncc(OC)c1)N1CCCCC1 |r| Show InChI InChI=1S/C38H53N5O4/c1-6-16-43(17-7-2)37(46)30-21-29(22-32(23-30)42-18-12-9-13-19-42)36(45)41-34(20-28-14-10-8-11-15-28)35(44)27-40-38(3,4)31-24-33(47-5)26-39-25-31/h8,10-11,14-15,21-26,34-35,40,44H,6-7,9,12-13,16-20,27H2,1-5H3,(H,41,45)/t34-,35+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human cathepsin-D using DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS as substrate preincubated for 30 mins by FRET assay				ACS Med Chem Lett 5: 373-7 (2014) Article DOI: 10.1021/ml4004952 BindingDB Entry DOI: 10.7270/Q26W9CMG
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