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Target
Beta-secretase 1 [1-454]
Ligand
BDBM259486
Substrate
n/a
Meas. Tech.
Fluorescence Quench Assay
pH
4.4±n/a
IC50
49±n/a nM
Comments
extracted
Citation
 Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Inhibitors of beta-secretase US Patent  US9526727 Publication Date 12/27/2016 
Target
Name:
Beta-secretase 1 [1-454]
Synonyms:
BACE | BACE1 | BACE1_HUMAN | Beta-secretase 1 (BACE1) | KIAA1149
Type:
Protein
Mol. Mass.:
50294.92
Organism:
Homo sapiens (Human)
Description:
Human BACE1 truncation (1-454 aa)
Residue:
454
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDEST
  
Inhibitor
Name:
BDBM259486
Synonyms:
US9526727, Comparison Example Table 2, (1r,4r)-2''-amino-4-methoxy-1''-(2-methoxyethyl)-5''-oxo-1'',5''-dihydro-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-imidazole]-6'-carbonitrile
Type:
Small organic molecule
Emp. Form.:
C21H26N4O3
Mol. Mass.:
382.4561
SMILES:
COCCN1C(N)=NC2(C1=O)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC)C#N |r,wD:18.19,21.27,c:6,(5.91,4.48,;4.37,4.48,;3.6,3.15,;2.06,3.15,;1.29,1.82,;-.25,1.82,;-1.02,3.15,;-.73,.35,;.52,-.55,;1.76,.35,;3.3,.35,;-.95,-1.03,;-2.28,-.26,;-3.62,-1.03,;-3.62,-2.57,;-2.28,-3.34,;-.95,-2.57,;.52,-3.05,;1.42,-1.8,;2.51,-.71,;4,-1.11,;4.4,-2.6,;3.31,-3.69,;1.82,-3.29,;5.88,-3,;6.28,-4.48,;-4.95,-.26,;-6.28,.51,)|
Structure:
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