Reaction Details Report a problem with these data
Target
Beta-secretase 1
Ligand
BDBM25357
Substrate
BACE Substrate Peptide
Meas. Tech.
In Vitro BACE1 Activity Assay
pH
4.5±n/a
Temperature
295.15±n/a K
IC50
11000±980 nM
Citation
 Barrow, JC; Stauffer, SR; Rittle, KE; Ngo, PL; Yang, Z; Selnick, HG; Graham, SL; Munshi, S; McGaughey, GB; Holloway, MK; Simon, AJ; Price, EA; Sankaranarayanan, S; Colussi, D; Tugusheva, K; Lai, MT; Espeseth, AS; Xu, M; Huang, Q; Wolfe, A; Pietrak, B; Zuck, P; Levorse, DA; Hazuda, D; Vacca, JP Discovery and X-ray crystallographic analysis of a spiropiperidine iminohydantoin inhibitor of beta-secretase. J Med Chem 51:6259-62 (2008) [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:
BDBM25357
Synonyms:
8-benzyl-4-(cyclohexylamino)-1-(3-fluorophenyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one | Spiropiperidine Iminohydantoin, 12
Type:
Small organic molecule
Emp. Form.:
C26H31FN4O
Mol. Mass.:
434.5489
SMILES:
OC1=NC(=NC2CCCCC2)C2(CCN(Cc3ccccc3)CC2)N1c1cccc(F)c1 |w:4.4,t:1|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BACE Substrate Peptide
Synonyms:
BACE-1 Substrate Peptide
Type:
Peptide
Mol. Mass.:
1557.77
Organism:
n/a
Description:
It is a coumarin (CM)-labeled peptide containing an optimized cleavage sequence NFEV.
Residue:
12
Sequence:
CMREVNFEVEFR