Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM155133'   

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))	BDBM155133 (US9000184, 6, isomer 1) Show SMILES CO[C@H]1CC[C@]2(CC1)CCc1ccc(cc1C21N=C(C)C(N)=N1)-c1cc(OC)cc(c1)C#N |r,wD:5.8,2.1,c:24,t:20,(8.59,-3.86,;7.82,-2.52,;6.28,-2.52,;5.51,-1.19,;3.97,-1.19,;3.2,-2.52,;3.97,-3.86,;5.51,-3.86,;2.8,-4.01,;1.32,-4.41,;.23,-3.32,;-1.26,-3.72,;-2.35,-2.63,;-1.95,-1.14,;-.46,-.74,;.63,-1.83,;2.11,-1.43,;.87,-.53,;1.34,.94,;.57,2.27,;2.88,.94,;3.65,2.27,;3.36,-.53,;-3.04,-.05,;-2.64,1.43,;-3.73,2.52,;-3.33,4.01,;-1.84,4.41,;-5.22,2.12,;-5.62,.64,;-4.53,-.45,;-7.1,.24,;-8.59,-.16,)| Show InChI InChI=1S/C27H30N4O2/c1-17-25(29)31-27(30-17)24-15-20(21-12-18(16-28)13-23(14-21)33-3)5-4-19(24)6-9-26(27)10-7-22(32-2)8-11-26/h4-5,12-15,22H,6-11H2,1-3H3,(H2,29,31)/t22-,26-,27?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	2.5	n/a
AstraZeneca AB US Patent					Assay Description TR-FRET Assay: The beta -secretase enzyme used in the TR-FRET is prepared as follows:The cDNA for the soluble part of the human beta -Secretase (AA 1...				US Patent US9000184 (2015) BindingDB Entry DOI: 10.7270/Q2K35SDQ
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