| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM50307382 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_610680 (CHEMBL1072341) |
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| Ki | 220±n/a nM |
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| Citation |  Björklund, C; Oscarson, S; Benkestock, K; Borkakoti, N; Jansson, K; Lindberg, J; Vrang, L; Hallberg, A; Rosenquist, A; Samuelsson, B Design and synthesis of potent and selective BACE-1 inhibitors. J Med Chem53:1458-64 (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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| BDBM50307382 |
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| n/a |
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| Name | BDBM50307382 |
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| Synonyms: | CHEMBL605967 | N-[(1S,2S,4R)-4-((S)-1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluorophenoxymethyl)-2-hydroxy-4-methoxy-butyl]-N',N'-dipropyl-isophthalamide |
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| Type | Small organic molecule |
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| Emp. Form. | C30H39F2N3O6 |
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| Mol. Mass. | 575.644 |
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| SMILES | CCCN(CCC)C(=O)c1cccc(c1)C(=O)N[C@@H](COc1cc(F)cc(F)c1)[C@@H](O)C[C@@H](OC)C(=O)NC1CC1 |r| |
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| Structure | 
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