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Target
Acetylcholinesterase
Ligand
BDBM203856
Substrate
n/a
Meas. Tech.
AChE and BuChE Inhibition Assay
pH
8±n/a
Temperature
298.15±n/a K
IC50
>1.00e+5±n/a nM
Comments
extracted
Citation
 Leng, J; Qin, HL; Zhu, K; Jantan, I; Hussain, MA; Sher, M; Amjad, MW; Naeem-Ul-Hassan, M; Ahmad, W; Bukhari, SN Evaluation of multifunctional synthetic tetralone derivatives for treatment of Alzheimer's disease. Chem Biol Drug Des 88:889-898 (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:
BDBM203856
Synonyms:
(2E)-2-[(2-chloro-3,4-dimethoxyphenyl)methylidene]-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-one (3ac)
Type:
Small organic molecule
Emp. Form.:
C19H16ClFO3
Mol. Mass.:
346.78
SMILES:
COc1ccc(\C=C2/CCc3ccc(F)cc3C2=O)c(Cl)c1OC
Structure:
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