Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM16430
Substrate
n/a
Meas. Tech.
AChE Inhibition Bioassay
pH
8±n/a
IC50
9.900e+6± 7.00e+5 nM
Comments
extracted
Citation
 Sebestík, J; Marques, SM; Falé, PL; Santos, S; Arduíno, DM; Cardoso, SM; Oliveira, CR; Serralheiro, ML; Santos, MA Bifunctional phenolic-choline conjugates as anti-oxidants and acetylcholinesterase inhibitors. J Enzyme Inhib Med Chem 26:485-97 (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:
BDBM16430
Synonyms:
(2E)-3-phenylprop-2-enoic acid | CHEMBL27246 | Cinnamic acid | Zimtsaeure | Zimtsaeure | trans-Cinnamate | t-Cinnamic acid | trans-Cinnamate
Type:
Small organic molecule
Emp. Form.:
C9H8O2
Mol. Mass.:
148.1586
SMILES:
OC(=O)\C=C\c1ccccc1
Structure:
Search PDB for entries with ligand similarity: