Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM210070
Substrate
n/a
Meas. Tech.
ChEMBL_2103364 (CHEMBL4811867)
IC50
9.7±n/a nM
Citation
 Koriyama, Y; Hori, A; Ito, H; Yonezawa, S; Baba, Y; Tanimoto, N; Ueno, T; Yamamoto, S; Yamamoto, T; Asada, N; Morimoto, K; Einaru, S; Sakai, K; Kanazu, T; Matsuda, A; Yamaguchi, Y; Oguma, T; Timmers, M; Tritsmans, L; Kusakabe, KI; Kato, A; Sakaguchi, G Discovery of Atabecestat (JNJ-54861911): A Thiazine-Based ?-Amyloid Precursor Protein Cleaving Enzyme 1 Inhibitor Advanced to the Phase 2b/3 EARLY Clinical Trial. J Med Chem 64:1873-1888 (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:
BDBM210070
Synonyms:
US9270353, 17
Type:
Small organic molecule
Emp. Form.:
C18H14FN5OS
Mol. Mass.:
367.4
SMILES:
C[C@]1(C=CSC(N)=N1)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,c:2,6|
Structure:
Search PDB for entries with ligand similarity: