Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM50012632
Substrate
n/a
Meas. Tech.
ChEMBL_2149733 (CHEMBL5034195)
IC50
126±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:
BDBM50012632
Synonyms:
CHEMBL2333941
Type:
Small organic molecule
Emp. Form.:
C15H14F2N4S
Mol. Mass.:
320.36
SMILES:
C[C@]1(CCSC(N)=N1)c1cc(c(F)cc1F)-c1cncnc1 |r,c:6|
Structure:
Search PDB for entries with ligand similarity: