| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM15236 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2134647 (CHEMBL4844257) |
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| IC50 | 4180±n/a nM |
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| Citation |  Pont, C; Ginex, T; Griñán-Ferré, C; Scheiner, M; Mattellone, A; Martínez, N; Arce, EM; Soriano-Fernández, Y; Naldi, M; De Simone, A; Barenys, M; Gómez-Catalán, J; Pérez, B; Sabate, R; Andrisano, V; Loza, MI; Brea, J; Bartolini, M; Bolognesi, ML; Decker, M; Pallàs, M; Luque, FJ; Muñoz-Torrero, D From virtual screening hits targeting a cryptic pocket in BACE-1 to a nontoxic brain permeable multitarget anti-Alzheimer lead with disease-modifying and cognition-enhancing effects. Eur J Med Chem225:0 (2021) [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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| BDBM15236 |
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| n/a |
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| Name | BDBM15236 |
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| Synonyms: | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one | 3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one | CHEMBL164 | Cannabiscetin | Myricetin | Myricetin (20) | Myricetin (Myr) | cid_5281672 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H10O8 |
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| Mol. Mass. | 318.2351 |
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| SMILES | Oc1cc(O)c2c(c1)oc(-c1cc(O)c(O)c(O)c1)c(O)c2=O |
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| Structure | 
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