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Target
Beta-secretase 1
Ligand
BDBM16754
Substrate
n/a
Meas. Tech.
ChEMBL_464832 (CHEMBL930550)
IC50
239±n/a nM
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 Lett 18:767-71 (2008) [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:
BDBM16754
Synonyms:
2-[2-(adamantan-1-yl)-5-phenyl-1H-pyrrol-1-yl]-N-[(1Z)-amino[(3-hydroxypropyl)amino]methylidene]acetamide | Acylguanidine, 10b
Type:
Small organic molecule
Emp. Form.:
C26H34N4O2
Mol. Mass.:
434.5738
SMILES:
OCCCNC(=N)NC(=O)Cn1c(ccc1C12CC3CC(CC(C3)C1)C2)-c1ccccc1 |TLB:23:18:25:22.21.24,23:22:18.19.17:25,THB:21:22:17:20.19.25,21:20:17:22.23.24|
Structure:
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