Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 2' and Ligand = 'BDBM26771'   

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
Beta-secretase 2 (Homo sapiens (Human))	BDBM26771 (3-(2-cyanophenyl)-5-ethoxy-N-[(2S,3R)-3-hydroxy-1-...) Show SMILES CCOc1cc(cc(c1)-c1ccccc1C#N)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNCc1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C34H32F3N3O3/c1-2-43-29-18-26(30-14-7-6-12-25(30)20-38)17-27(19-29)33(42)40-31(16-23-9-4-3-5-10-23)32(41)22-39-21-24-11-8-13-28(15-24)34(35,36)37/h3-15,17-19,31-32,39,41H,2,16,21-22H2,1H3,(H,40,42)/t31-,32+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.05E+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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