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Target
Acetylcholinesterase
Ligand
BDBM50406847
Substrate
n/a
Meas. Tech.
ChEMBL_1739232 (CHEMBL4154982)
IC50
>100000±n/a nM
Citation
 Jalili-Baleh, L; Forootanfar, H; Küçükk?l?nç, TT; Nadri, H; Abdolahi, Z; Ameri, A; Jafari, M; Ayazgok, B; Baeeri, M; Rahimifard, M; Abbas Bukhari, SN; Abdollahi, M; Ganjali, MR; Emami, S; Khoobi, M; Foroumadi, A Design, synthesis and evaluation of novel multi-target-directed ligands for treatment of Alzheimer's disease based on coumarin and lipoic acid scaffolds. Eur J Med Chem 152:600-614 (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:
BDBM50406847
Synonyms:
CHEMBL4161064
Type:
Small organic molecule
Emp. Form.:
C31H36N4O4S2
Mol. Mass.:
592.772
SMILES:
O=C(CCCCC1CCSS1)NCc1cn(CCCCCOc2ccc3cc(-c4ccccc4)c(=O)oc3c2)nn1
Structure:
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