| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Beta-secretase 1 |
|---|
| Ligand | BDBM25361 |
|---|
| Substrate/Competitor | BACE Substrate Peptide |
|---|
| Meas. Tech. | In Vitro BACE1 Activity Assay |
|---|
| pH | 4.5±n/a |
|---|
| Temperature | 295.15±n/a K |
|---|
| IC50 | 2800±120 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 Chem51:6259-62 (2008) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Solution Info, Assay Method |
|---|
| |
| Beta-secretase 1 |
|---|
| Name: | Beta-secretase 1 |
|---|
| Synonyms: | ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | 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: | MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQW
RCLRCLRQQHDDFADDISLLK
|
|
|
|---|
| BDBM25361 |
|---|
| Name | BDBM25361 |
|---|
| Synonyms: | N-(4-{[4-(cyclohexylamino)-1-(3-fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec-3-en-8-yl]methyl}phenyl)acetamide | Spiropiperidine Iminohydantoin, 16 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C28H34FN5O2 |
|---|
| Mol. Mass. | 491.6003 |
|---|
| SMILES | CC(=O)Nc1ccc(CN2CCC3(CC2)N(C(O)=NC3=NC2CCCCC2)c2cccc(F)c2)cc1 |w:20.22,c:18| |
|---|
| Structure |  |
|---|
| BACE Substrate Peptide |
|---|
| 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: | |
|---|
Search and Browse
