| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM50397708 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_874114 (CHEMBL2187055) |
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| IC50 | 1.9±n/a nM |
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| Citation |  Dineen, TA; Weiss, MM; Williamson, T; Acton, P; Babu-Khan, S; Bartberger, MD; Brown, J; Chen, K; Cheng, Y; Citron, M; Croghan, MD; Dunn, RT; Esmay, J; Graceffa, RF; Harried, SS; Hickman, D; Hitchcock, SA; Horne, DB; Huang, H; Imbeah-Ampiah, R; Judd, T; Kaller, MR; Kreiman, CR; La, DS; Li, V; Lopez, P; Louie, S; Monenschein, H; Nguyen, TT; Pennington, LD; San Miguel, T; Sickmier, EA; Vargas, HM; Wahl, RC; Wen, PH; Whittington, DA; Wood, S; Xue, Q; Yang, BH; Patel, VF; Zhong, W Design and synthesis of potent, orally efficacious hydroxyethylamine derivedß-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors. J Med Chem55:9025-44 (2012) [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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| BDBM50397708 |
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| n/a |
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| Name | BDBM50397708 |
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| Synonyms: | CHEMBL2181906 |
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| Type | Small organic molecule |
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| Emp. Form. | C31H40FN3O4 |
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| Mol. Mass. | 537.6654 |
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| SMILES | COCC(=O)N[C@@H](Cc1cc(F)cc(c1)C#C)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc12 |r| |
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| Structure | 
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