Reaction Details |
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Target | Beta-secretase 1 |
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Ligand | BDBM50398892 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_873597 (CHEMBL2187886) |
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Ki | 850±n/a nM |
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Citation | Gerritz, SW; Zhai, W; Shi, S; Zhu, S; Toyn, JH; Meredith, JE; Iben, LG; Burton, CR; Albright, CF; Good, AC; Tebben, AJ; Muckelbauer, JK; Camac, DM; Metzler, W; Cook, LS; Padmanabha, R; Lentz, KA; Sofia, MJ; Poss, MA; Macor, JE; Thompson, LA Acyl guanidine inhibitors ofß-secretase (BACE-1): optimization of a micromolar hit to a nanomolar lead via iterative solid- and solution-phase library synthesis. J Med Chem55:9208-23 (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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BDBM50398892 |
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n/a |
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Name | BDBM50398892 |
Synonyms: | CHEMBL2178173 |
Type | Small organic molecule |
Emp. Form. | C25H27ClN4O3 |
Mol. Mass. | 466.96 |
SMILES | CCC\C=C\c1cc(Cl)cc(CN=C(N)NC(=O)c2c(C)onc2-c2ccc(OC)cc2)c1 |w:12.11| |
Structure |
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