Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50595000
Substrate
n/a
Meas. Tech.
ChEMBL_2215094 (CHEMBL5128226)
IC50
2800±n/a nM
Citation
 Fantacuzzi, M; Amoroso, R; Carradori, S; De Filippis, B Resveratrol-based compounds and neurodegeneration: Recent insight in multitarget therapy. Eur J Med Chem 233:0 (2022) [PubMed] 
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:
BDBM50595000
Synonyms:
CHEMBL5182136
Type:
Small organic molecule
Emp. Form.:
C29H24O7
Mol. Mass.:
484.4967
SMILES:
COc1cc(OC)cc(\C=C\c2cc(=O)oc3c4cc(oc4ccc23)-c2cc(OC)cc(OC)c2)c1
Structure:
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