Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50010856'   

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))	BDBM50010856 (CHEMBL3264797) Show SMILES CCCN(CCC)C(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1ccccc1)N1CCCCS1(=O)=O |r| Show InChI InChI=1S/C37H50N4O5S/c1-5-19-40(20-6-2)36(44)30-24-29(25-32(26-30)41-21-13-14-22-47(41,45)46)35(43)39-33(23-28-15-9-7-10-16-28)34(42)27-38-37(3,4)31-17-11-8-12-18-31/h7-12,15-18,24-26,33-34,38,42H,5-6,13-14,19-23,27H2,1-4H3,(H,39,43)/t33-,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	Article PubMed	n/a	n/a	120	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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