Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM136913'   

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))	BDBM136913 (US10231967, Example 135 | US8865911, 135 | US99189...) Show SMILES CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wD:6.6,3.2,c:21,t:17,(7.98,-4.8,;6.44,-4.8,;5.67,-3.47,;4.13,-3.47,;3.36,-2.13,;1.82,-2.13,;1.05,-3.47,;.15,-4.71,;-1.32,-4.24,;-2.65,-5.01,;-3.98,-4.24,;-3.98,-2.7,;-2.65,-1.93,;-1.32,-2.7,;.15,-2.22,;-.76,-.97,;.15,.27,;-.62,1.61,;1.61,-.2,;2.95,.57,;1.61,-1.74,;-5.32,-1.93,;-6.65,-2.7,;-7.98,-1.93,;-7.98,-.39,;-6.65,.39,;-5.32,-.39,;-6.65,1.93,;-6.65,3.47,;-6.65,5.01,;1.82,-4.8,;3.36,-4.8,)| Show InChI InChI=1S/C27H30N4O/c1-4-6-19-13-22(17-29-16-19)20-7-8-21-15-26(11-9-23(10-12-26)32-5-2)27(24(21)14-20)30-18(3)25(28)31-27/h7-8,13-14,16-17,23H,5,9-12,15H2,1-3H3,(H2,28,31)/t23-,26-,27?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	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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