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Target
Beta-secretase 1
Ligand
BDBM50007804
Substrate
n/a
Meas. Tech.
ChEMBL_1335844 (CHEMBL3238628)
IC50
2020±n/a nM
Citation
 Viayna, E; Sola, I; Bartolini, M; De Simone, A; Tapia-Rojas, C; Serrano, FG; Sabaté, R; Juárez-Jiménez, J; Pérez, B; Luque, FJ; Andrisano, V; Clos, MV; Inestrosa, NC; Muñoz-Torrero, D Synthesis and multitarget biological profiling of a novel family of rhein derivatives as disease-modifying anti-Alzheimer agents. J Med Chem 57:2549-67 (2014) [PubMed]  Article 
Target
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:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSFVEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSACHVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQWRCLRCLRQQHDDFADDISLLK
  
Inhibitor
Name:
BDBM50007804
Synonyms:
CHEMBL3234040
Type:
Small organic molecule
Emp. Form.:
C40H33Cl2N3O5
Mol. Mass.:
706.613
SMILES:
Cl.CC1=CC2CC(C1)c1c(C2)nc2cc(Cl)ccc2c1NCc1ccc(CNC(=O)c2cc(O)c3C(=O)c4c(O)cccc4C(=O)c3c2)cc1 |t:1|
Structure:
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