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Target
Acetylcholinesterase
Ligand
BDBM50106453
Substrate
n/a
Meas. Tech.
ChEMBL_29414 (CHEMBL875241)
IC50
30000±n/a nM
Citation
 Andreani, A; Cavalli, A; Granaiola, M; Guardigli, M; Leoni, A; Locatelli, A; Morigi, R; Rambaldi, M; Recanatini, M; Roda, A Synthesis and screening for antiacetylcholinesterase activity of (1-benzyl-4-oxopiperidin-3-ylidene)methylindoles and -pyrroles related to donepezil. J Med Chem 44:4011-4 (2001) [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:
BDBM50106453
Synonyms:
3-(1-Benzoyl-1H-pyrrol-3-ylmethylene)-1-benzyl-piperidin-4-one | CHEMBL335329
Type:
Small organic molecule
Emp. Form.:
C24H22N2O2
Mol. Mass.:
370.4437
SMILES:
O=C(c1ccccc1)n1ccc(C=C2CN(Cc3ccccc3)CCC2=O)c1 |w:12.12|
Structure:
Search PDB for entries with ligand similarity: