| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM50157441 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_462611 (CHEMBL929600) |
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| IC50 | 3.9±n/a nM |
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| Citation |  Hamada, Y; Ohta, H; Miyamoto, N; Yamaguchi, R; Yamani, A; Hidaka, K; Kimura, T; Saito, K; Hayashi, Y; Ishiura, S; Kiso, Y Novel non-peptidic and small-sized BACE1 inhibitors. Bioorg Med Chem Lett18:1643-7 (2008) [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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| BDBM50157441 |
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| n/a |
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| Name | BDBM50157441 |
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| Synonyms: | 5-((2R,3S)-3-((S)-2-((S)-2-((S)-2-amino-3-(2H-tetrazole-5-carboxamido)propanamido)-3-methylbutanamido)-4-methylpentanamido)-2-hydroxy-4-phenylbutanamido)isophthalic acid | 5-{(S)-3-[2-((S)-2-{(2S,3S)-2-Amino-3-[(1H-tetrazole-5-carbonyl)-amino]-propionylamino}-3-methyl-butyrylamino)-4-methyl-pentanoylamino]-2-hydroxy-1-(R)-oxo-4-phenyl-butylamino}-isophthalic acid | CHEMBL183546 |
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| Type | Small organic molecule |
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| Emp. Form. | C34H44N10O10 |
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| Mol. Mass. | 752.7742 |
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| SMILES | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O |
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| Structure | 
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