| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM50271769 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_556474 (CHEMBL955691) |
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| IC50 | 22±n/a nM |
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| Citation |  Cumming, JN; Le, TX; Babu, S; Carroll, C; Chen, X; Favreau, L; Gaspari, P; Guo, T; Hobbs, DW; Huang, Y; Iserloh, U; Kennedy, ME; Kuvelkar, R; Li, G; Lowrie, J; McHugh, NA; Ozgur, L; Pan, J; Parker, EM; Saionz, K; Stamford, AW; Strickland, C; Tadesse, D; Voigt, J; Wang, L; Wu, Y; Zhang, L; Zhang, Q Rational design of novel, potent piperazinone and imidazolidinone BACE1 inhibitors. Bioorg Med Chem Lett18:3236-41 (2008) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Beta-secretase 1 |
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| Name: | Beta-secretase 1 |
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| 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) |
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| Type: | Protein |
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| Mol. Mass.: | 55755.10 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P56817 |
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| Residue: | 501 |
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| Sequence: | MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQW
RCLRCLRQQHDDFADDISLLK
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| BDBM50271769 |
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| n/a |
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| Name | BDBM50271769 |
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| Synonyms: | 1-benzyl-N-((1S,2S)-1-((S)-4-benzyl-3-oxopiperazin-2-yl)-3-(3,5-difluorophenyl)-1-hydroxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide | CHEMBL442847 |
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| Type | Small organic molecule |
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| Emp. Form. | C32H34F2N4O4 |
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| Mol. Mass. | 576.6336 |
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| SMILES | O[C@@H]([C@H](Cc1cc(F)cc(F)c1)NC(=O)C1CN(Cc2ccccc2)C(=O)C1)[C@@H]1NCCN(Cc2ccccc2)C1=O |r| |
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| Structure | 
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