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Target
Beta-secretase 1
Ligand
BDBM50220305
Substrate
n/a
Meas. Tech.
ChEMBL_449199 (CHEMBL899464)
IC50
140±n/a nM
Citation
 Fobare, WF; Solvibile, WR; Robichaud, AJ; Malamas, MS; Manas, E; Turner, J; Hu, Y; Wagner, E; Chopra, R; Cowling, R; Jin, G; Bard, J Thiophene substituted acylguanidines as BACE1 inhibitors. Bioorg Med Chem Lett 17:5353-6 (2007) [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:
BDBM50220305
Synonyms:
4-(3-(2-(amino(3-hydroxypropylamino)methyleneamino)-2-oxoethyl)-4-(2-chlorophenyl)thiophen-2-yl)-N-(cyclopropylmethyl)benzamide | CHEMBL237493
Type:
Small organic molecule
Emp. Form.:
C27H29ClN4O3S
Mol. Mass.:
525.062
SMILES:
OCCCNC(=N)NC(=O)Cc1c(csc1-c1ccc(cc1)C(=O)NCC1CC1)-c1ccccc1Cl
Structure:
Search PDB for entries with ligand similarity: