Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50010848'   

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))	BDBM50010848 (CHEMBL3259870) Show SMILES CCCNC(=O)c1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC(C)(C)c1cccc(OC)c1)N1CCCCC1 |r| Show InChI InChI=1S/C36H48N4O4/c1-5-17-37-34(42)27-21-28(23-30(22-27)40-18-10-7-11-19-40)35(43)39-32(20-26-13-8-6-9-14-26)33(41)25-38-36(2,3)29-15-12-16-31(24-29)44-4/h6,8-9,12-16,21-24,32-33,38,41H,5,7,10-11,17-20,25H2,1-4H3,(H,37,42)(H,39,43)/t32-,33+/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	110	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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