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Target
Beta-secretase 1
Ligand
BDBM50581135
Substrate
n/a
Meas. Tech.
ChEMBL_2149724 (CHEMBL5034186)
IC50
110±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:
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:
BDBM50581135
Synonyms:
CHEMBL3701715
Type:
Small organic molecule
Emp. Form.:
C15H14ClFN6S2
Mol. Mass.:
396.893
SMILES:
Cl.[H][C@@]12CN(C[C@@]1(N=C(N)SC2)c1ccc(s1)C#N)c1ncc(F)cn1 |r,t:7|
Structure:
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