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Target
Isoform C of Beta-secretase 1 (BACE-I-457)
Ligand
BDBM113240
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
4.5±n/a
Temperature
298.15±n/a K
IC50
16.8±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:
BDBM113240
Synonyms:
US10336717, Compound 18 | US8633212, 18 | US9212153, 18
Type:
Small organic molecule
Emp. Form.:
C22H26N4O2
Mol. Mass.:
378.4674
SMILES:
COC1CCC2(Cc3ccc(cc3C22ON(C)C(N)=N2)-c2cccnc2)CC1 |c:20,(7.77,-3.03,;6.28,-3.42,;5.19,-2.33,;3.86,-3.1,;2.76,-2.02,;1.27,-1.65,;.36,-2.89,;-1.1,-2.42,;-2.43,-3.19,;-3.77,-2.42,;-3.77,-.88,;-2.43,-.11,;-1.1,-.88,;.36,-.4,;1.83,.07,;1.83,1.61,;3.16,2.38,;.36,2.09,;-.41,3.42,;-.54,.84,;-5.1,-.11,;-6.43,-.88,;-7.77,-.11,;-7.77,1.43,;-6.43,2.2,;-5.1,1.43,;2.6,-.88,;3.7,-2.02,)|
Structure:
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