Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM179790
Substrate
n/a
Meas. Tech.
AChE Inhibition Assay
pH
8±n/a
IC50
360± 24 nM
Comments
extracted
Citation
 Khunnawutmanotham, N; Chimnoi, N; Saparpakorn, P; Techasakul, S Synthesis and anti-acetylcholinesterase activity of scopoletin derivatives. Bioorg Chem 65:137-45 (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:
BDBM179790
Synonyms:
1-(2-Chlorobenzyl)-4-(((6-methoxycoumarin-7-yl)oxy)methyl)pyridinium bromide (6h)
Type:
Small organic molecule
Emp. Form.:
C23H19ClNO4
Mol. Mass.:
408.854
SMILES:
COc1cc2ccc(=O)oc2cc1OCc1cc[n+](Cc2ccccc2Cl)cc1
Structure:
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