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Target
Beta-secretase 1
Ligand
BDBM50581134
Substrate
n/a
Meas. Tech.
ChEMBL_2149733 (CHEMBL5034195)
IC50
1700±n/a nM
Citation
 McKinzie, DL; Winneroski, LL; Green, SJ; Hembre, EJ; Erickson, JA; Willis, BA; Monk, SA; Aluise, CD; Baker, TK; Lopez, JE; Hendle, J; Beck, JP; Brier, RA; Boggs, LN; Borders, AR; Cocke, PJ; Garcia-Losada, P; Lowe, SL; Mathes, BM; May, PC; Porter, WJ; Stout, SL; Timm, DE; Watson, BM; Yang, Z; Mergott, DJ Discovery and Early Clinical Development of LY3202626, a Low-Dose, CNS-Penetrant BACE Inhibitor. J Med Chem 64:8076-8100 (2021) [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:
BDBM50581134
Synonyms:
CHEMBL5091705
Type:
Small organic molecule
Emp. Form.:
C14H15ClFN7S
Mol. Mass.:
367.832
SMILES:
Cl.[H][C@@]12CN(C[C@@]1(N=C(N)SC2)c1cnccn1)c1ncc(F)cn1 |r,t:7|
Structure:
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