Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM50145778'   

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))	BDBM50145778 (CHEMBL3763261) Show SMILES CCCCc1ccc(cc1)-c1ccc2c(c1)nc(N)n(C[C@@H]1CC[C@@H](O1)c1ccccc1)c2=O |r| Show InChI InChI=1S/C29H31N3O2/c1-2-3-7-20-10-12-21(13-11-20)23-14-16-25-26(18-23)31-29(30)32(28(25)33)19-24-15-17-27(34-24)22-8-5-4-6-9-22/h4-6,8-14,16,18,24,27H,2-3,7,15,17,19H2,1H3,(H2,30,31)/t24-,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	2.20E+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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