Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50441844
Substrate
n/a
Meas. Tech.
ChEMBL_986889 (CHEMBL2438753)
IC50
40±n/a nM
Citation
 Li, SY; Wang, XB; Xie, SS; Jiang, N; Wang, KD; Yao, HQ; Sun, HB; Kong, LY Multifunctional tacrine-flavonoid hybrids with cholinergic,ß-amyloid-reducing, and metal chelating properties for the treatment of Alzheimer's disease. Eur J Med Chem 69:632-46 (2013) [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:
BDBM50441844
Synonyms:
CHEMBL2436709
Type:
Small organic molecule
Emp. Form.:
C38H41ClN4O3
Mol. Mass.:
637.21
SMILES:
Clc1ccc(cc1)-c1cc(=O)c2ccc(OCCCN3CCN(CCCNc4c5CCCCc5nc5ccccc45)CC3)cc2o1
Structure:
Search PDB for entries with ligand similarity: