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Target
Isoform C of Beta-secretase 1 (BACE-I-457)
Ligand
BDBM113246
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
4.5±n/a
Temperature
298.15±n/a K
IC50
21±n/a nM
Comments
extracted
Citation
 Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Inhibitors of beta-secretase US Patent  US8633212 Publication Date 1/21/2014 
Target
Name:
Isoform C of Beta-secretase 1 (BACE-I-457)
Synonyms:
BACE | BACE1 | BACE1_HUMAN | Beta-secretase 1 (BACE) | Beta-secretase 1 (BACE-I-457) | KIAA1149
Type:
Enzyme
Mol. Mass.:
51006.30
Organism:
Homo sapiens (Human)
Description:
P56817-3
Residue:
457
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWCCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM113246
Synonyms:
US10336717, Compound 24 | US8633212, 24 | US9212153, 24
Type:
Small organic molecule
Emp. Form.:
C23H29N3O2
Mol. Mass.:
379.4953
SMILES:
CCOC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)C#CC2CC2)CC1 |c:21,(9.05,.07,;8.28,-1.27,;6.95,-.5,;5.62,.27,;4.85,-1.06,;3.36,-.64,;1.88,-1.06,;1.4,-2.53,;-.14,-2.53,;-1.17,-3.67,;-2.68,-3.35,;-3.15,-1.88,;-2.12,-.74,;-.62,-1.06,;.63,-.16,;1.54,1.09,;.63,2.34,;1.4,3.67,;-.83,1.86,;-2.17,2.63,;-.83,.32,;-4.64,-1.49,;-6.18,-1.49,;-7.72,-1.49,;-9.05,-.72,;-9.05,-2.26,;2.65,.27,;4.14,-.15,)|
Structure:
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