Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50145780'   

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))	BDBM50145780 (CHEMBL3763524) Show SMILES Nc1nc2cc(ccc2c(=O)n1CC1CCC2(CCCCC2)O1)-c1ccccc1 Show InChI InChI=1S/C24H27N3O2/c25-23-26-21-15-18(17-7-3-1-4-8-17)9-10-20(21)22(28)27(23)16-19-11-14-24(29-19)12-5-2-6-13-24/h1,3-4,7-10,15,19H,2,5-6,11-14,16H2,(H2,25,26)	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	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Latvian Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa...				J Med Chem 59: 374-87 (2016) Article DOI: 10.1021/acs.jmedchem.5b01558 BindingDB Entry DOI: 10.7270/Q26975DP
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