Reaction Details |
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Target | Beta-secretase 1 |
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Ligand | BDBM50505569 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1823210 (CHEMBL4322974) |
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IC50 | 0.380000±n/a nM |
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Citation | Tadano, G; Komano, K; Yoshida, S; Suzuki, S; Nakahara, K; Fuchino, K; Fujimoto, K; Matsuoka, E; Yamamoto, T; Asada, N; Ito, H; Sakaguchi, G; Kanegawa, N; Kido, Y; Ando, S; Fukushima, T; Teisman, A; Urmaliya, V; Dhuyvetter, D; Borghys, H; Van Den Bergh, A; Austin, N; Gijsen, HJM; Yamano, Y; Iso, Y; Kusakabe, KI Discovery of an Extremely Potent Thiazine-Based ?-Secretase Inhibitor with Reduced Cardiovascular and Liver Toxicity at a Low Projected Human Dose. J Med Chem62:9331-9337 (2019) [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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BDBM50505569 |
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n/a |
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Name | BDBM50505569 |
Synonyms: | CHEMBL4557670 |
Type | Small organic molecule |
Emp. Form. | C18H18F3N5O2S |
Mol. Mass. | 425.428 |
SMILES | C[C@H]1SC(N)=N[C@@](C)([C@H]1F)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,c:4| |
Structure |
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