Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Beta-secretase 1' and Ligand = 'BDBM136869'   

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))	BDBM136869 (US8865911, 106) Show SMILES COc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC(F)F)[C@]3(N=C(C)C(N)=N3)c2c1)C#N |r,wU:23.25,wD:13.13,16.20,c:30,t:26,(-3.98,4.41,;-5.32,3.64,;-5.32,2.1,;-6.65,1.33,;-6.65,-.21,;-5.32,-.98,;-3.98,-.21,;-3.98,1.33,;-2.65,-.98,;-2.65,-2.52,;-1.32,-3.29,;.02,-2.52,;1.48,-2.99,;2.39,-1.75,;3.16,-.41,;4.7,-.41,;5.47,-1.75,;4.7,-3.08,;3.16,-3.08,;7.01,-1.75,;7.78,-3.08,;9.32,-3.08,;7.01,-4.41,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;.02,-.98,;-1.32,-.21,;-7.98,-.98,;-9.32,-1.75,)| Show InChI InChI=1S/C26H26F2N4O2/c1-15-23(30)32-26(31-15)22-12-17(19-9-16(14-29)10-21(11-19)33-2)3-4-18(22)13-25(26)7-5-20(6-8-25)34-24(27)28/h3-4,9-12,20,24H,5-8,13H2,1-2H3,(H2,30,32)/t20-,25-,26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	9.2	n/a
Astrazeneca AB US Patent					Assay Description TR-FRET AssayThe 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...				US Patent US8865911 (2014) BindingDB Entry DOI: 10.7270/Q2T72G4T
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