Reaction Details |
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Target | Beta-secretase 1 |
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Ligand | BDBM50226443 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_451977 (CHEMBL901135) |
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IC50 | 77000±n/a nM |
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Citation | Edwards, PD; Albert, JS; Sylvester, M; Aharony, D; Andisik, D; Callaghan, O; Campbell, JB; Carr, RA; Chessari, G; Congreve, M; Frederickson, M; Folmer, RH; Geschwindner, S; Koether, G; Kolmodin, K; Krumrine, J; Mauger, RC; Murray, CW; Olsson, LL; Patel, S; Spear, N; Tian, G Application of fragment-based lead generation to the discovery of novel, cyclic amidine beta-secretase inhibitors with nanomolar potency, cellular activity, and high ligand efficiency. J Med Chem50:5912-25 (2007) [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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BDBM50226443 |
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n/a |
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Name | BDBM50226443 |
Synonyms: | 6-(2-(1H-indol-6-yl)ethyl)-2-amino-3-methylpyrimidin-4(3H)-one | CHEMBL237891 |
Type | Small organic molecule |
Emp. Form. | C15H16N4O |
Mol. Mass. | 268.3137 |
SMILES | Cn1c(N)nc(CCc2ccc3cc[nH]c3c2)cc1=O |
Structure |
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