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Target
Acetylcholinesterase
Ligand
BDBM50193129
Substrate
n/a
Meas. Tech.
ChEMBL_1614944 (CHEMBL3857013)
IC50
180±n/a nM
Citation
 Kumar, J; Meena, P; Singh, A; Jameel, E; Maqbool, M; Mobashir, M; Shandilya, A; Tiwari, M; Hoda, N; Jayaram, B Synthesis and screening of triazolopyrimidine scaffold as multi-functional agents for Alzheimer's disease therapies. Eur J Med Chem 119:260-77 (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:
BDBM50193129
Synonyms:
CHEMBL3962563
Type:
Small organic molecule
Emp. Form.:
C23H22F3N7O2
Mol. Mass.:
485.4617
SMILES:
CCOC(=O)c1cnc2cc(ccc2c1N1CCN(CC1)c1cc(C)nc2ncnn12)C(F)(F)F
Structure:
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