Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50441842
Substrate
n/a
Meas. Tech.
ChEMBL_986889 (CHEMBL2438753)
IC50
15±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:
BDBM50441842
Synonyms:
CHEMBL2436690
Type:
Small organic molecule
Emp. Form.:
C32H38N4O4
Mol. Mass.:
542.6685
SMILES:
Oc1cc(OCCCN2CCN(CCCNc3c4CCCCc4nc4ccccc34)CC2)cc2occc(=O)c12
Structure:
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