Reaction Details |
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Target | Beta-secretase 1 |
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Ligand | BDBM50392835 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_853303 (CHEMBL2155063) |
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Ki | 1.7±n/a nM |
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Citation | Stamford, AW; Scott, JD; Li, SW; Babu, S; Tadesse, D; Hunter, R; Wu, Y; Misiaszek, J; Cumming, JN; Gilbert, EJ; Huang, C; McKittrick, BA; Hong, L; Guo, T; Zhu, Z; Strickland, C; Orth, P; Voigt, JH; Kennedy, ME; Chen, X; Kuvelkar, R; Hodgson, R; Hyde, LA; Cox, K; Favreau, L; Parker, EM; Greenlee, WJ Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor that Affords Robust CNS Aß Reduction. ACS Med Chem Lett3:897-902 (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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BDBM50392835 |
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n/a |
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Name | BDBM50392835 |
Synonyms: | CHEMBL2151181 |
Type | Small organic molecule |
Emp. Form. | C18H17ClN4OS |
Mol. Mass. | 372.872 |
SMILES | CC#Cc1cncc(c1)-c1cc(Cl)c(s1)[C@]1(C)CC(=O)N(C)C(N)=N1 |r,c:25| |
Structure |
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