Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50200768
Substrate
n/a
Meas. Tech.
ChEMBL_1622780 (CHEMBL3865132)
IC50
46±n/a nM
Citation
 DemirÖzkay, Ü; Can, ÖD; Saglik, BN; AcarÇevik, U; Levent, S; Özkay, Y; Ilgin, S; Atli, Ö Design, synthesis, and AChE inhibitory activity of new benzothiazole-piperazines. Bioorg Med Chem Lett 26:5387-5394 (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:
BDBM50200768
Synonyms:
CHEMBL3893120
Type:
Small organic molecule
Emp. Form.:
C19H29N5O3S
Mol. Mass.:
407.53
SMILES:
COc1cc2nc(NC(=O)CN3CCN(CCN(C)C)CC3)sc2cc1OC
Structure:
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