| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM50036596 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1433718 (CHEMBL3386389) |
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| Ki | 3.0±n/a nM |
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| Citation |  Caldwell, JP; Mazzola, RD; Durkin, J; Chen, J; Chen, X; Favreau, L; Kennedy, M; Kuvelkar, R; Lee, J; McHugh, N; McKittrick, B; Orth, P; Stamford, A; Strickland, C; Voigt, J; Wang, L; Zhang, L; Zhang, Q; Zhu, Z Discovery of potent iminoheterocycle BACE1 inhibitors. Bioorg Med Chem Lett24:5455-9 (2015) [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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| BDBM50036596 |
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| n/a |
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| Name | BDBM50036596 |
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| Synonyms: | CHEMBL3354260 |
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| Type | Small organic molecule |
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| Emp. Form. | C27H38N6O2 |
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| Mol. Mass. | 478.6296 |
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| SMILES | CN1C(=N)N[C@](CCC2CCCCC2)(C[C@H]2CCC[C@H](C2)NC(=O)Nc2ccc(cc2)C#N)C1=O |r| |
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| Structure | 
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