Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50355816
Substrate
n/a
Meas. Tech.
ChEMBL_775052 (CHEMBL1912247)
IC50
256±n/a nM
Citation
 Rosini, M; Simoni, E; Bartolini, M; Tarozzi, A; Matera, R; Milelli, A; Hrelia, P; Andrisano, V; Bolognesi, ML; Melchiorre, C Exploiting the lipoic acid structure in the search for novel multitarget ligands against Alzheimer's disease. Eur J Med Chem 46:5435-42 (2011) [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:
BDBM50355816
Synonyms:
CHEMBL1912062
Type:
Small organic molecule
Emp. Form.:
C24H40N2O2S2
Mol. Mass.:
452.717
SMILES:
CCN(CCCCCCNC(=O)CCCCC1CCSS1)Cc1ccccc1OC
Structure:
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