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Target
Beta-secretase 1
Ligand
BDBM213716
Substrate
n/a
Meas. Tech.
BACE-1 Inhibition Assay
pH
4.5±n/a
Temperature
298.15±n/a K
IC50
36±n/a nM
Comments
extracted
Citation
 Hurth, K; Jacquier, S; Machauer, R; Rueeger, H; Tintelnot-Blomley, M; Veenstra, SJ; Voegtle, M Oxazine derivatives and their use in the treatment of disease US Patent  US9284284 Publication Date 3/15/2016 
Target
Name:
Beta-secretase 1
Synonyms:
ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-secretase (BACE) | Beta-secretase 1 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site APP cleaving enzyme 1 | Beta-site amyloid precursor protein cleaving enzyme 1 | KIAA1149 | Memapsin-2 | Membrane-associated aspartic protease 2 | beta-Secretase (BACE-1) | beta-Secretase (BACE1)
Type:
Protein
Mol. Mass.:
55755.10
Organism:
Homo sapiens (Human)
Description:
P56817
Residue:
501
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM213716
Synonyms:
US9284284, 7
Type:
Small organic molecule
Emp. Form.:
C18H14ClF3N6O
Mol. Mass.:
422.792
SMILES:
NC1=N[C@](COC1)(C(F)F)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F |r,t:1|
Structure:
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