| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM50196591 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_458797 (CHEMBL942097) |
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| IC50 | 4100±n/a nM |
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| Citation |  Freskos, JN; Fobian, YM; Benson, TE; Bienkowski, MJ; Brown, DL; Emmons, TL; Heintz, R; Laborde, A; McDonald, JJ; Mischke, BV; Molyneaux, JM; Moon, JB; Mullins, PB; Bryan Prince, D; Paddock, DJ; Tomasselli, AG; Winterrowd, G Design of potent inhibitors of human beta-secretase. Part 1. Bioorg Med Chem Lett17:73-7 (2006) [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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| BDBM50196591 |
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| n/a |
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| Name | BDBM50196591 |
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| Synonyms: | CHEMBL254626 | N-((2S,3R)-4-(3-iodobenzylamino)-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl)-3-methylbenzamide |
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| Type | Small organic molecule |
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| Emp. Form. | C25H25F2IN2O2 |
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| Mol. Mass. | 550.3795 |
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| SMILES | Cc1cccc(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNCc1cccc(I)c1 |
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| Structure | 
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