Reaction Details |
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Target | Beta-secretase 1 |
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Ligand | BDBM50372242 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_464832 (CHEMBL930550) |
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IC50 | 276±n/a nM |
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Citation | Jennings, LD; Cole, DC; Stock, JR; Sukhdeo, MN; Ellingboe, JW; Cowling, R; Jin, G; Manas, ES; Fan, KY; Malamas, MS; Harrison, BL; Jacobsen, S; Chopra, R; Lohse, PA; Moore, WJ; O'Donnell, MM; Hu, Y; Robichaud, AJ; Turner, MJ; Wagner, E; Bard, J Acylguanidine inhibitors of beta-secretase: optimization of the pyrrole ring substituents extending into the S1' substrate binding pocket. Bioorg Med Chem Lett18:767-71 (2008) [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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BDBM50372242 |
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n/a |
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Name | BDBM50372242 |
Synonyms: | CHEMBL404166 |
Type | Small organic molecule |
Emp. Form. | C28H33N5OS |
Mol. Mass. | 487.66 |
SMILES | Cc1csc(CNC(=N)NC(=O)Cn2c(ccc2C23CC4CC(CC(C4)C2)C3)-c2ccccc2)n1 |TLB:17:18:21.20.25:23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18,17:18:21:25.24.23| |
Structure |
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