Reaction Details |
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Target | Beta-secretase 1 |
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Ligand | BDBM50012654 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1351652 (CHEMBL3269339) |
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IC50 | 28±n/a nM |
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Citation | Oehlrich, D; Prokopcova, H; Gijsen, HJ The evolution of amidine-based brain penetrant BACE1 inhibitors. Bioorg Med Chem Lett24:2033-45 (2014) [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 |
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) |
Type: | Protein |
Mol. Mass.: | 55755.10 |
Organism: | Homo sapiens (Human) |
Description: | P56817 |
Residue: | 501 |
Sequence: | MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQW
RCLRCLRQQHDDFADDISLLK
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BDBM50012654 |
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n/a |
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Name | BDBM50012654 |
Synonyms: | CHEMBL3261074 |
Type | Small organic molecule |
Emp. Form. | C18H14F3N5O2 |
Mol. Mass. | 389.3313 |
SMILES | NC1=N[C@](COC1)(C(F)F)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F |r,t:1| |
Structure |
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