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Target
Beta-secretase 1
Ligand
BDBM50301217
Substrate
n/a
Meas. Tech.
ChEMBL_598828 (CHEMBL1044660)
IC50
63±n/a nM
Citation
 Hills, ID; Holloway, MK; de León, P; Nomland, A; Zhu, H; Rajapakse, H; Allison, TJ; Munshi, SK; Colussi, D; Pietrak, BL; Toolan, D; Haugabook, SJ; Graham, SL; Stachel, SJ A conformational constraint improves a beta-secretase inhibitor but for an unexpected reason. Bioorg Med Chem Lett 19:4993-5 (2009) [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:
BDBM50301217
Synonyms:
4-(4-fluoro-5-methoxy-1-(4-(trifluoromethyl)benzyl)-2,3,3a,7a-tetrahydro-1H-inden-1-yl)-1-methyl-1H-imidazol-2-amine | CHEMBL582982
Type:
Small organic molecule
Emp. Form.:
C22H23F4N3O
Mol. Mass.:
421.4311
SMILES:
COC1=C(F)C2CCC(Cc3ccc(cc3)C(F)(F)F)(C2C=C1)c1cn(C)c(N)n1 |c:2,23|
Structure:
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