Reaction Details |
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Target | Beta-secretase 1 |
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Ligand | BDBM50231481 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_603776 (CHEMBL1042914) |
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IC50 | 600±n/a nM |
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Citation | Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Discovery and initial optimization of 5,5'-disubstituted aminohydantoins as potent beta-secretase (BACE1) inhibitors. Bioorg Med Chem Lett20:632-5 (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 |
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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BDBM50231481 |
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n/a |
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Name | BDBM50231481 |
Synonyms: | 3-bromo-N-(4-(1-(2-guanidino-2-oxoethyl)-5-phenyl-1H-pyrrol-2-yl)phenyl)benzamide | 3-bromo-N-[4-[1-(2-carbamimidamido-2-oxo-ethyl)-5-phenyl-pyrrol-2-yl]phenyl]benzamide | 3-bromo-N-{4-[1-(2-guanidino-2-oxo-ethyl)-5-phenyl-1H-pyrrol-2-yl]-phenyl}-benzamide | CHEMBL252189 |
Type | Small organic molecule |
Emp. Form. | C26H22BrN5O2 |
Mol. Mass. | 516.389 |
SMILES | NC(=N)NC(=O)Cn1c(ccc1-c1ccc(NC(=O)c2cccc(Br)c2)cc1)-c1ccccc1 |
Structure |
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