| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM50333950 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_700286 (CHEMBL1647504) |
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| IC50 | >10000±n/a nM |
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| Citation |  Sund, C; Belda, O; Wiktelius, D; Sahlberg, C; Vrang, L; Sedig, S; Hamelink, E; Henderson, I; Agback, T; Jansson, K; Borkakoti, N; Derbyshire, D; Eneroth, A; Samuelsson, B Design and synthesis of potent macrocyclic renin inhibitors. Bioorg Med Chem Lett21:358-62 (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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| BDBM50333950 |
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| n/a |
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| Name | BDBM50333950 |
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| Synonyms: | (S)-2-{(S)-2-Hydroxy-2-[(S)-18-(methanesulfonyl-methyl-amino)-4-(2-methoxy-ethoxy)-2,15-dioxo-11-oxa-3,14-diaza-tricyclo[14.3.1.1*5,9*]henicosa-1(20),5,7,9(21),16,18-hexaen-13-yl]-ethyl}-N-isobutyl-3-methyl-butyramide | CHEMBL1644468 |
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| Type | Small organic molecule |
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| Emp. Form. | C34H50N4O9S |
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| Mol. Mass. | 690.847 |
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| SMILES | COCCOC1NC(=O)c2cc(cc(c2)C(=O)N[C@@H](COCc2cccc1c2)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)C)N(C)S(C)(=O)=O |r| |
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| Structure | 
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