| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM50033403 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1434320 (CHEMBL3386424) |
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| IC50 | 60±n/a nM |
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| Citation |  Thomas, AA; Hunt, KW; Newhouse, B; Watts, RJ; Liu, X; Vigers, G; Smith, D; Rhodes, SP; Brown, KD; Otten, JN; Burkard, M; Cox, AA; Geck Do, MK; Dutcher, D; Rana, S; DeLisle, RK; Regal, K; Wright, AD; Groneberg, R; Liao, J; Scearce-Levie, K; Siu, M; Purkey, HE; Lyssikatos, JP 8-Tetrahydropyran-2-yl chromans: highly selective beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors. J Med Chem57:10112-29 (2014) [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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| BDBM50033403 |
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| n/a |
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| Name | BDBM50033403 |
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| Synonyms: | CHEMBL3357661 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H20FN3O3 |
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| Mol. Mass. | 369.3895 |
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| SMILES | [H][C@]12OCCC[C@]1(C)Oc1ccc(cc1[C@@]21COC(N)=N1)-c1cccnc1F |r,c:22| |
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| Structure | 
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