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Target
Acetylcholinesterase
Ligand
BDBM50299465
Substrate
n/a
Meas. Tech.
ChEMBL_590772 (CHEMBL1037610)
IC50
160±n/a nM
Citation
 Bolognesi, ML; Cavalli, A; Bergamini, C; Fato, R; Lenaz, G; Rosini, M; Bartolini, M; Andrisano, V; Melchiorre, C Toward a rational design of multitarget-directed antioxidants: merging memoquin and lipoic acid molecular frameworks. J Med Chem 52:7883-6 (2009) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50299465
Synonyms:
5-[1,2]Dithiolan-3-yl-pentanoic acid [6-(4-{3-[ethyl-(2-methoxy-benzyl)-amino]-propylamino}-3,6-dioxo-cyclohexa-1,4-dienylamino)-hexyl]-amide | CHEMBL572453
Type:
Small organic molecule
Emp. Form.:
C33H50N4O4S2
Mol. Mass.:
630.905
SMILES:
CCN(CCC=Nc1cc(O)c(NCCCCCCNC(=O)CCCCC2CCSS2)cc1O)Cc1ccccc1OC |w:5.4|
Structure:
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