Reaction Details |
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Target | Beta-secretase 1 |
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Ligand | BDBM50398615 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_874519 (CHEMBL2185271) |
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IC50 | 6100±n/a nM |
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Citation | Brodney, MA; Barreiro, G; Ogilvie, K; Hajos-Korcsok, E; Murray, J; Vajdos, F; Ambroise, C; Christoffersen, C; Fisher, K; Lanyon, L; Liu, J; Nolan, CE; Withka, JM; Borzilleri, KA; Efremov, I; Oborski, CE; Varghese, A; O'Neill, BT Spirocyclic sulfamides asß-secretase 1 (BACE-1) inhibitors for the treatment of Alzheimer's disease: utilization of structure based drug design, WaterMap, and CNS penetration studies to identify centrally efficacious inhibitors. J Med Chem55:9224-39 (2012) [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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BDBM50398615 |
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n/a |
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Name | BDBM50398615 |
Synonyms: | CHEMBL2177482 |
Type | Small organic molecule |
Emp. Form. | C23H27FN4O2S |
Mol. Mass. | 442.549 |
SMILES | C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc2[nH]ccc2c1 |r| |
Structure |
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