| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM50313889 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_615460 (CHEMBL1107778) |
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| IC50 | 1370±n/a nM |
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| Citation |  Rajapakse, HA; Nantermet, PG; Selnick, HG; Barrow, JC; McGaughey, GB; Munshi, S; Lindsley, SR; Young, MB; Ngo, PL; Holloway, MK; Lai, MT; Espeseth, AS; Shi, XP; Colussi, D; Pietrak, B; Crouthamel, MC; Tugusheva, K; Huang, Q; Xu, M; Simon, AJ; Kuo, L; Hazuda, DJ; Graham, S; Vacca, JP SAR of tertiary carbinamine derived BACE1 inhibitors: role of aspartate ligand amine pKa in enzyme inhibition. Bioorg Med Chem Lett20:1885-9 (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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| BDBM50313889 |
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| n/a |
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| Name | BDBM50313889 |
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| Synonyms: | 3-(((R)-2-amino-2-benzyl-3-hydroxypropoxy)methyl)-N-((R)-1-(4-fluorophenyl)ethyl)-5-(N-methylmethylsulfonamido)benzamide | CHEMBL1086788 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H34FN3O5S |
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| Mol. Mass. | 543.65 |
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| SMILES | C[C@@H](NC(=O)c1cc(COC[C@](N)(CO)Cc2ccccc2)cc(c1)N(C)S(C)(=O)=O)c1ccc(F)cc1 |r| |
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| Structure | 
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