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Target
Acetylcholinesterase
Ligand
BDBM8960
Substrate
n/a
Meas. Tech.
ChEMBL_1715107 (CHEMBL4125156)
IC50
90±n/a nM
Citation
 Mughal, EU; Javid, A; Sadiq, A; Murtaza, S; Zafar, MN; Khan, BA; Sumrra, SH; Tahir, MN; Kanwal, na; Khan, KM Synthesis, structure-activity relationship and molecular docking studies of 3-O-flavonol glycosides as cholinesterase inhibitors. Bioorg Med Chem 26:3696-3706 (2018) [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:
BDBM8960
Synonyms:
(+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-indan-1-one | 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one | Aricept | Aricept odt | CHEMBL1678 | CHEMBL2337271 | CHEMBL502 | DONEPEZIL HYDROCHLORIDE | Donepezil | Donepzil | E2020 | US8999994, Donepezil | US9346818, DPH | US9586925, Donepezil | US9663465, Donepezil
Type:
Small organic molecule
Emp. Form.:
C24H29NO3
Mol. Mass.:
379.492
SMILES:
COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Structure:
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