| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM50139109 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_41396 (CHEMBL653517) |
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| Ki | 2700±n/a nM |
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| Citation |  Brady, SF; Singh, S; Crouthamel, MC; Holloway, MK; Coburn, CA; Garsky, VM; Bogusky, M; Pennington, MW; Vacca, JP; Hazuda, D; Lai, MT Rational design and synthesis of selective BACE-1 inhibitors. Bioorg Med Chem Lett14:601-4 (2004) [PubMed] |
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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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| BDBM50139109 |
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| n/a |
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| Name | BDBM50139109 |
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| Synonyms: | (S)-N-((1S,2S,4R)-6-Acetoxy-1-benzyl-2-hydroxy-4-isobutylcarbamoyl-hexyl)-2-(3-methyl-butyrylamino)-succinamic acid | CHEMBL154897 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H45N3O8 |
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| Mol. Mass. | 563.6829 |
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| SMILES | CC(C)CNC(=O)[C@H](CCOC(C)=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NC(=O)CC(C)C)C(O)=O |
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| Structure | 
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