Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM160701'   

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))	BDBM160701 (US9045500, 23) Show SMILES COC1CCC2(CC1)Oc1ccc(Cl)cc1C21N=C(N)c2ccc(cc12)C#N |t:20,(6.48,-2.41,;5.15,-3.18,;3.81,-2.41,;2.48,-3.18,;1.38,-2.1,;-.11,-1.72,;1.22,-.95,;2.32,-2.1,;-1.01,-2.97,;-2.48,-2.49,;-3.81,-3.26,;-5.15,-2.49,;-5.15,-.95,;-6.48,-.18,;-3.81,-.18,;-2.48,-.95,;-1.01,-.48,;-2.21,.49,;-1.66,1.93,;-2.43,3.26,;-.12,1.85,;.97,2.94,;2.45,2.54,;2.85,1.05,;1.76,-.04,;.28,.36,;4.34,.65,;5.83,.26,)| Show InChI InChI=1S/C22H20ClN3O2/c1-27-15-6-8-21(9-7-15)22(18-11-14(23)3-5-19(18)28-21)17-10-13(12-24)2-4-16(17)20(25)26-22/h2-5,10-11,15H,6-9H2,1H3,(H2,25,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	83	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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