Reaction Details  Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50500596
Substrate
n/a
Meas. Tech.
ChEMBL_1548296 (CHEMBL3755747)
IC50
55600±n/a nM
Citation
 Turan-Zitouni, G; Alt?ntop, MD; Özdemir, A; Kaplanc?kl?, ZA; Çiftçi, GA; Temel, HE Synthesis and evaluation of bis-thiazole derivatives as new anticancer agents. Eur J Med Chem 107:288-94 (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:
BDBM50500596
Synonyms:
CHEMBL3752902
Type:
Small organic molecule
Emp. Form.:
C36H34N4O6S2
Mol. Mass.:
682.808
SMILES:
COc1ccc(OC)c(c1)-c1csc(Nc2ccc(cc2OC)-c2ccc(Nc3nc(cs3)-c3cc(OC)ccc3OC)c(OC)c2)n1
Structure:
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