Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM160705'   

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 1 (Homo sapiens (Human))	BDBM160705 (US9045500, 27) Show SMILES COC1CCC2(Cc3ccc(cc3C22N=C(N)c3ccc(cc23)C(F)(F)F)C#CC2CC2)CC1 |t:16,(8.58,-2.41,;7.25,-3.18,;5.92,-2.41,;4.58,-3.18,;3.49,-2.1,;1.99,-1.72,;1.09,-2.97,;-.38,-2.49,;-1.71,-3.26,;-3.04,-2.49,;-3.04,-.95,;-1.71,-.18,;-.38,-.95,;1.09,-.48,;-.11,.49,;.44,1.93,;-.33,3.26,;1.98,1.85,;3.07,2.94,;4.56,2.54,;4.96,1.05,;3.87,-.04,;2.38,.36,;6.44,.65,;7.93,.25,;6.84,2.14,;6.05,-.83,;-4.38,-.18,;-5.71,.59,;-7.04,1.36,;-7.81,2.69,;-8.58,1.36,;3.33,-.95,;4.42,-2.1,)| Show InChI InChI=1S/C28H27F3N2O/c1-34-21-10-12-26(13-11-21)16-19-7-6-18(5-4-17-2-3-17)14-23(19)27(26)24-15-20(28(29,30)31)8-9-22(24)25(32)33-27/h6-9,14-15,17,21H,2-3,10-13,16H2,1H3,(H2,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.5	n/a	n/a	n/a	n/a	4.4	n/a
Vitae Pharmaceuticals, Inc. US Patent					Assay Description For each compound being tested, the BACE activity was monitored in a fluorescence quenching assay (FRET) using the ectodomain of BACE (aa 1-454) fuse...				US Patent US9045500 (2015) BindingDB Entry DOI: 10.7270/Q2RB73B8
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