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Target
Beta-secretase 1 [1-454]
Ligand
BDBM150700
Substrate
n/a
Meas. Tech.
Fluorescence Quench Assay
pH
4.4±n/a
IC50
2±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:
BDBM150700
Synonyms:
US8981112, 7 | US9526727, 7 | US9949975, Example 7
Type:
Small organic molecule
Emp. Form.:
C22H28N4O3
Mol. Mass.:
396.4827
SMILES:
COCCN1C(N)=N[C@@]2(C1=O)c1cc(ccc1C[C@@]21CC[C@H](OC)[C@@H](C)C1)C#N |r,c:6|
Structure:
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