Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM192693
Substrate
n/a
Meas. Tech.
AChE and BChE Inhibition Assay
pH
8±n/a
IC50
2.210e+4± 1e+1 nM
Comments
extracted
Citation
 Najafi, Z; Saeedi, M; Mahdavi, M; Sabourian, R; Khanavi, M; Tehrani, MB; Moghadam, FH; Edraki, N; Karimpor-Razkenari, E; Sharifzadeh, M; Foroumadi, A; Shafiee, A; Akbarzadeh, T Design and synthesis of novel anti-Alzheimer's agents: Acridine-chromenone and quinoline-chromenone hybrids. Bioorg Chem 67:84-94 (2016) [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:
BDBM192693
Synonyms:
4-Methyl-7-(4-((1,2,3,4-tetrahydroacridin-9-yl)amino)phenoxy)-2H-chromen-2-one (8j)
Type:
Small organic molecule
Emp. Form.:
C29H24N2O3
Mol. Mass.:
448.5125
SMILES:
Cc1cc(=O)oc2cc(Oc3ccc(Nc4c5CCCCc5nc5ccccc45)cc3)ccc12
Structure:
Search PDB for entries with ligand similarity: