| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM50226440 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_451977 (CHEMBL901135) |
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| IC50 | 6100±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 |
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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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| BDBM50226440 |
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| n/a |
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| Name | BDBM50226440 |
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| Synonyms: | 2-amino-6-(3,4-dichlorophenyl)-3,6-dimethyl-5,6-dihydro-3H-pyrimidin-4-one | CHEMBL239425 |
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| Type | Small organic molecule |
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| Emp. Form. | C12H13Cl2N3O |
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| Mol. Mass. | 286.157 |
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| SMILES | CN1C(N)=NC(C)(CC1=O)c1ccc(Cl)c(Cl)c1 |c:3| |
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| Structure | 
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