Reaction Details Report a problem with these data
Target
Beta-secretase 1 [1-454]
Ligand
BDBM210885
Substrate
n/a
Meas. Tech.
Fluorescence Quench Assay
pH
4.4±n/a
IC50
37±n/a nM
Comments
extracted
Citation
 Venkatraman, S; Yuan, J; Zheng, Y Inhibitors of β-secretase US Patent  US9290477 Publication Date 3/22/2016 
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:
BDBM210885
Synonyms:
US9290477, 3
Type:
Small organic molecule
Emp. Form.:
C20H24N4O
Mol. Mass.:
336.4308
SMILES:
C[C@H]1C[C@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)[N+]#[C-])C[C@@H](C)[C@@H]1O |r,c:18,t:14|
Structure:
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