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Target
Acetylcholinesterase
Ligand
BDBM50256414
Substrate
n/a
Meas. Tech.
ChEMBL_1687866 (CHEMBL4038436)
IC50
>30000±n/a nM
Citation
 Dias, KS; de Paula, CT; Dos Santos, T; Souza, IN; Boni, MS; Guimarães, MJ; da Silva, FM; Castro, NG; Neves, GA; Veloso, CC; Coelho, MM; de Melo, IS; Giusti, FC; Giusti-Paiva, A; da Silva, ML; Dardenne, LE; Guedes, IA; Pruccoli, L; Morroni, F; Tarozzi, A; Viegas, C Design, synthesis and evaluation of novel feruloyl-donepezil hybrids as potential multitarget drugs for the treatment of Alzheimer's disease. Eur J Med Chem 130:440-457 (2017) [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:
BDBM50256414
Synonyms:
CHEMBL4092552
Type:
Small organic molecule
Emp. Form.:
C24H29NO5
Mol. Mass.:
411.4908
SMILES:
COc1ccc(CN2CCC(COC(=O)\C=C\c3ccc(O)c(OC)c3)CC2)cc1
Structure:
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