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Target
Beta-secretase 1
Ligand
BDBM50398262
Substrate
n/a
Meas. Tech.
ChEMBL_874707 (CHEMBL2187563)
IC50
40±n/a nM
Citation
 Swahn, BM; Kolmodin, K; Karlström, S; von Berg, S; Söderman, P; Holenz, J; Berg, S; Lindström, J; Sundström, M; Turek, D; Kihlström, J; Slivo, C; Andersson, L; Pyring, D; Rotticci, D; Ohberg, L; Kers, A; Bogar, K; von Kieseritzky, F; Bergh, M; Olsson, LL; Janson, J; Eketjäll, S; Georgievska, B; Jeppsson, F; Fälting, J Design and synthesis ofß-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction ofß-amyloid peptides. J Med Chem 55:9346-61 (2012) [PubMed]  Article 
Target
Name:
Beta-secretase 1
Synonyms:
BACE1_MOUSE | Bace | Bace1 | Beta-secretase 1 | Beta-secretase 1 (BACE1)
Type:
Enzyme
Mol. Mass.:
55739.56
Organism:
Mus musculus (Mouse)
Description:
P56818
Residue:
501
Sequence:
MAPALHWLLLWVGSGMLPAQGTHLGIRLPLRSGLAGPPLGLRLPRETDEESEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHIPNIFSLQLCGAGFPLNQTEALASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAVSQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTADMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRHQHDDFADDISLLK
  
Inhibitor
Name:
BDBM50398262
Synonyms:
CHEMBL2177917
Type:
Small organic molecule
Emp. Form.:
C26H22FN5O
Mol. Mass.:
439.4842
SMILES:
COc1c(C)cc(nc1C)C1(N=C(N)c2c1cccc2F)c1cccc(c1)-c1cncnc1 |t:12|
Structure:
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