| Reaction Details |
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 | Report a problem with these data |
| Target | Beta-secretase 1 |
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| Ligand | BDBM50078323 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1470595 (CHEMBL3420008) |
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| IC50 | 470±n/a nM |
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| Citation |  Butler, CR; Brodney, MA; Beck, EM; Barreiro, G; Nolan, CE; Pan, F; Vajdos, F; Parris, K; Varghese, AH; Helal, CJ; Lira, R; Doran, SD; Riddell, DR; Buzon, LM; Dutra, JK; Martinez-Alsina, LA; Ogilvie, K; Murray, JC; Young, JM; Atchison, K; Robshaw, A; Gonzales, C; Wang, J; Zhang, Y; O'Neill, BT Discovery of a series of efficient, centrally efficacious BACE1 inhibitors through structure-based drug design. J Med Chem58:2678-702 (2015) [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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| BDBM50078323 |
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| n/a |
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| Name | BDBM50078323 |
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| Synonyms: | CHEMBL3414709 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H18F2N2OS |
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| Mol. Mass. | 312.378 |
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| SMILES | [H][C@]12CSC(N)=N[C@]1(CO[C@@H](CC)C2)c1ccc(F)cc1F |r,c:5| |
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| Structure | 
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