Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM41537'   

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))	BDBM41537 (US10231967, Example 114 | US8865911, 114 | US99189...) Show SMILES CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(7.78,-3.08,;7.01,-1.75,;5.47,-1.75,;4.7,-.41,;3.16,-.41,;2.39,-1.75,;1.48,-2.99,;.02,-2.52,;-1.32,-3.29,;-2.65,-2.52,;-2.65,-.98,;-1.32,-.21,;.02,-.98,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;-3.98,-.21,;-3.98,1.33,;-5.32,2.1,;-6.65,1.33,;-6.65,-.21,;-5.32,-.98,;-7.98,-.98,;-9.32,-1.75,;-10.65,-2.52,;3.16,-3.08,;4.7,-3.08,)| Show InChI InChI=1S/C18H18N4O2/c1-12-4-2-3-5-14(12)10-22-11-15(9-19-22)20-18(23)16-8-17(24-21-16)13-6-7-13/h2-5,8-9,11,13H,6-7,10H2,1H3,(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	9.2	n/a
Astrazeneca AB US Patent					Assay Description 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-AA 460) was clo...				US Patent US8865911 (2014) BindingDB Entry DOI: 10.7270/Q2T72G4T
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