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Target
Acetylcholinesterase
Ligand
BDBM50075582
Substrate
n/a
Meas. Tech.
ChEMBL_1473456 (CHEMBL3419738)
IC50
729±n/a nM
Citation
 Guzior, N; Bajda, M; Skrok, M; Kurpiewska, K; Lewinski, K; Brus, B; Pi?lar, A; Kos, J; Gobec, S; Malawska, B Development of multifunctional, heterodimeric isoindoline-1,3-dione derivatives as cholinesterase andß-amyloid aggregation inhibitors with neuroprotective properties. Eur J Med Chem 92:738-49 (2015) [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:
BDBM50075582
Synonyms:
CHEMBL3415581
Type:
Small organic molecule
Emp. Form.:
C23H27ClN2O2
Mol. Mass.:
398.926
SMILES:
Clc1cccc(CNCCCCCCCCN2C(=O)c3ccccc3C2=O)c1
Structure:
Search PDB for entries with ligand similarity: