| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM50318128 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_632138 (CHEMBL1103872) |
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| Ki | 22±n/a nM |
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| Citation |  Huang, Y; Strobel, ED; Ho, CY; Reynolds, CH; Conway, KA; Piesvaux, JA; Brenneman, DE; Yohrling, GJ; Moore Arnold, H; Rosenthal, D; Alexander, RS; Tounge, BA; Mercken, M; Vandermeeren, M; Parker, MH; Reitz, AB; Baxter, EW Macrocyclic BACE inhibitors: Optimization of a micromolar hit to nanomolar leads. Bioorg Med Chem Lett20:3158-60 (2010) [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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| BDBM50318128 |
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| n/a |
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| Name | BDBM50318128 |
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| Synonyms: | (14S)-16-amino-10-(oxan-4-yl)-14-(propan-2-yl)-2-oxa-10,15,17-triazatetracyclo[13.5.3.1^{3,7}.0^{18,22}]tetracosa-1(21),3(24),4,6,16,18(22),19-heptaen-11-one | CHEMBL1097058 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H36N4O3 |
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| Mol. Mass. | 476.6104 |
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| SMILES | CC(C)[C@@H]1CCC(=O)N(CCc2cccc(Oc3ccc4N=C(N)N1Cc4c3)c2)C1CCOCC1 |r,t:21| |
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| Structure | 
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