| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM50164512 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1574683 (CHEMBL3801550) |
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| Ki | 1.4±n/a nM |
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| Citation |  Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Structure-Based Design of an Iminoheterocyclicß-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central Aß in Nonhuman Primates. J Med Chem59:3231-48 (2016) [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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| BDBM50164512 |
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| n/a |
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| Name | BDBM50164512 |
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| Synonyms: | CHEMBL3800286 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H20FN7O2S |
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| Mol. Mass. | 477.514 |
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| SMILES | [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1cc(cs1)-c1cccc(c1)C#N)c1ncc(F)c(OC)n1 |r| |
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| Structure | 
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