Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM29394
Substrate
BDBM10759
Meas. Tech.
Measurement of hAChE Activity
IC50
110±n/a nM
Citation
 Marco-Contelles, J; León, R; de los Ríos, C; Samadi, A; Bartolini, M; Andrisano, V; Huertas, O; Barril, X; Luque, FJ; Rodríguez-Franco, MI; López, B; López, MG; García, AG; Carreiras Mdo, C; Villarroya, M Tacripyrines, the first tacrine-dihydropyridine hybrids, as multitarget-directed ligands for the treatment of Alzheimer's disease. J Med Chem 52:2724-32 (2009) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_ELEEL | Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE) | ache
Type:
Enzyme
Mol. Mass.:
71812.79
Organism:
Electrophorus electricus (Electric eel)
Description:
n/a
Residue:
633
Sequence:
MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFAEPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLYLNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGFLALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDSRPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLIDQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYGAPGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIVGDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHRASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINVDGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAERQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
  
Inhibitor
Name:
BDBM29394
Synonyms:
CHEMBL220294 | tacrine-dihydropyridine hybrid (tacripyrine), 5
Type:
Small organic molecule
Emp. Form.:
C22H24N4O4
Mol. Mass.:
408.4504
SMILES:
CCOC(=O)C1C(c2cccc(c2)[N+]([O-])=O)c2c(N)c3CCCCc3nc2N=C1C |c:30|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM10759
Synonyms:
2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acetoxyethyl(trimethyl)ammonium;perchlorate | CHEMBL667 | US10667515, Compound ACh | [2-(acetyloxy)ethyl]trimethylazanium | acetylcholine | acetylcholine chloride | cid_6060
Type:
Small Organic Molecule
Emp. Form.:
C7H16NO2
Mol. Mass.:
146.2069
SMILES:
CC(=O)OCC[N+](C)(C)C
Structure:
Search PDB for entries with ligand similarity: