Reaction Details |
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Target | Beta-secretase 1 |
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Ligand | BDBM50164505 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1574683 (CHEMBL3801550) |
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Ki | 45±n/a nM |
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Citation | Mandal, M; Wu, Y; Misiaszek, J; Li, G; Buevich, A; Caldwell, JP; Liu, X; Mazzola, RD; Orth, P; Strickland, C; Voigt, J; Wang, H; Zhu, Z; Chen, X; Grzelak, M; Hyde, LA; Kuvelkar, R; Leach, PT; Terracina, G; Zhang, L; Zhang, Q; Michener, MS; Smith, B; Cox, K; Grotz, D; Favreau, L; Mitra, K; Kazakevich, I; McKittrick, BA; Greenlee, W; Kennedy, ME; Parker, EM; Cumming, JN; Stamford, AW Structure-Based Design of an Iminoheterocyclicß-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central Aß in Nonhuman Primates. J Med Chem59:3231-48 (2016) [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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BDBM50164505 |
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n/a |
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Name | BDBM50164505 |
Synonyms: | CHEMBL3797680 |
Type | Small organic molecule |
Emp. Form. | C18H18FN7OS2 |
Mol. Mass. | 431.51 |
SMILES | [H][C@@]12CN(C[C@@]1(NC(=N)N(C)C2=O)c1ccc(s1)C#N)c1nc(C)c(F)c(SC)n1 |r| |
Structure |
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