Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cathepsin D' and Ligand = 'BDBM26772'   

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))	BDBM26772 (3-(1,1-dioxo-1,2-thiazolidin-2-yl)-5-ethoxy-N-[(2S...) Show SMILES CCOc1cc(cc(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F)N1CCCS1(=O)=O |r| Show InChI InChI=1S/C30H34F3N3O5S/c1-2-41-26-17-23(16-25(18-26)36-12-7-13-42(36,39)40)29(38)35-27(15-21-8-4-3-5-9-21)28(37)20-34-19-22-10-6-11-24(14-22)30(31,32)33/h3-6,8-11,14,16-18,27-28,34,37H,2,7,12-13,15,19-20H2,1H3,(H,35,38)/t27-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Enzyme activity and inhibition were assayed using a fluorescent FAM-[SEVNLDAEFK]-TAMRA substrate. Control reactions with no enzyme were included in e...				Bioorg Med Chem Lett 18: 1022-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.020 BindingDB Entry DOI: 10.7270/Q2MC8XBP
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