Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50500595
Substrate
n/a
Meas. Tech.
ChEMBL_1548296 (CHEMBL3755747)
IC50
15700±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:
BDBM50500595
Synonyms:
CHEMBL3754780
Type:
Small organic molecule
Emp. Form.:
C32H22Cl4N4O2S2
Mol. Mass.:
700.485
SMILES:
COc1cc(ccc1Nc1nc(cs1)-c1ccc(Cl)c(Cl)c1)-c1ccc(Nc2nc(cs2)-c2ccc(Cl)c(Cl)c2)c(OC)c1
Structure:
Search PDB for entries with ligand similarity: