Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50042986
Substrate
n/a
Meas. Tech.
ChEMBL_1440666 (CHEMBL3390418)
IC50
>500000±n/a nM
Citation
 Liu, HR; Liu, XJ; Fan, HQ; Tang, JJ; Gao, XH; Liu, WK Design, synthesis and pharmacological evaluation of chalcone derivatives as acetylcholinesterase inhibitors. Bioorg Med Chem 22:6124-33 (2014) [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:
BDBM50042986
Synonyms:
(E)-1-(4-Hydroxy-phenyl)-3-phenyl-propenone | 1-(4-Hydroxy-phenyl)-3-phenyl-propenone | 1-(4-hydroxyphenyl)-3-phenylprop-2-en-1-one | CHEMBL276473
Type:
Small organic molecule
Emp. Form.:
C15H12O2
Mol. Mass.:
224.2546
SMILES:
Oc1ccc(cc1)C(=O)\C=C\c1ccccc1
Structure:
Search PDB for entries with ligand similarity: