| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM16742 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_638726 (CHEMBL1169087) |
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| IC50 | 630±n/a nM |
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| Citation |  Al-Nadaf, A; Abu Sheikha, G; Taha, MO Elaborate ligand-based pharmacophore exploration and QSAR analysis guide the synthesis of novel pyridinium-based potent beta-secretase inhibitory leads. Bioorg Med Chem18:3088-115 (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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| BDBM16742 |
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| n/a |
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| Name | BDBM16742 |
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| Synonyms: | Coumarin Compound, 9e | N-{5-bromo-2-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl}-2-oxo-2H-chromene-3-carboxamide |
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| Type | Small organic molecule |
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| Emp. Form. | C22H22BrN3O4 |
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| Mol. Mass. | 472.332 |
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| SMILES | OCCN1CCN(CC1)c1ccc(Br)cc1NC(=O)c1cc2ccccc2oc1=O |
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| Structure | 
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