Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM160708'   

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))	BDBM160708 (US9045500, 34) Show SMILES COC1CCC2(Cc3ccc(CCC4CC4)cc3C22N=C(N)c3c2cccc3F)CC1 |t:22,(8.61,-1.98,;7.27,-2.75,;5.94,-1.98,;4.85,-3.07,;3.51,-2.3,;1.97,-2.3,;1.07,-3.55,;-.4,-3.07,;-1.73,-3.84,;-3.07,-3.07,;-3.07,-1.53,;-4.4,-.76,;-5.73,-1.53,;-7.07,-.76,;-7.84,.57,;-8.61,-.76,;-1.73,-.76,;-.4,-1.53,;1.07,-1.06,;-.13,-.09,;.42,1.35,;-.35,2.68,;1.96,1.27,;2.36,-.22,;3.85,-.62,;4.93,.47,;4.54,1.96,;3.05,2.36,;2.65,3.84,;3.06,-1.22,;4.4,-1.98,)| Show InChI InChI=1S/C27H31FN2O/c1-31-20-11-13-26(14-12-20)16-19-10-9-18(8-7-17-5-6-17)15-22(19)27(26)21-3-2-4-23(28)24(21)25(29)30-27/h2-4,9-10,15,17,20H,5-8,11-14,16H2,1H3,(H2,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	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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