Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50384894
Substrate
n/a
Meas. Tech.
ChEMBL_820325 (CHEMBL2037747)
IC50
42.66±n/a nM
Citation
 Wang, Y; Guan, XL; Wu, PF; Wang, CM; Cao, H; Li, L; Guo, XJ; Wang, F; Xie, N; Jiang, FC; Chen, JG Multifunctional mercapto-tacrine derivatives for treatment of age-related neurodegenerative diseases. J Med Chem 55:3588-92 (2012) [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:
BDBM50384894
Synonyms:
CHEMBL2036262
Type:
Small organic molecule
Emp. Form.:
C24H32ClN3O2S
Mol. Mass.:
462.048
SMILES:
CC(=O)SCCC(=O)NCCCCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Structure:
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