Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50307927
Substrate
n/a
Meas. Tech.
ChEMBL_608062 (CHEMBL1072132)
IC50
5660±n/a nM
Citation
 Alptüzün, V; Prinz, M; Hörr, V; Scheiber, J; Radacki, K; Fallarero, A; Vuorela, P; Engels, B; Braunschweig, H; Erciyas, E; Holzgrabe, U Interaction of (benzylidene-hydrazono)-1,4-dihydropyridines with beta-amyloid, acetylcholine, and butyrylcholine esterases. Bioorg Med Chem 18:2049-59 (2010) [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:
BDBM50307927
Synonyms:
4-((2,6-dichlorobenzylidene)hydrazono)-1-(3-phenylpropyl)-1,4-dihydropyridine | CHEMBL597993
Type:
Small organic molecule
Emp. Form.:
C21H19Cl2N3
Mol. Mass.:
384.302
SMILES:
Clc1cccc(Cl)c1\C=N\N=c1ccn(CCCc2ccccc2)cc1 |(14.77,-30.22,;13.43,-30.99,;12.1,-30.22,;10.77,-31,;10.77,-32.54,;12.11,-33.3,;12.12,-34.84,;13.43,-32.53,;14.77,-33.3,;16.1,-32.53,;17.43,-33.29,;18.77,-32.52,;20.1,-33.29,;21.43,-32.52,;21.43,-30.98,;22.77,-30.22,;24.1,-30.99,;25.44,-30.22,;26.77,-31,;26.75,-32.54,;28.09,-33.31,;29.42,-32.54,;29.42,-30.99,;28.09,-30.23,;20.1,-30.21,;18.76,-30.98,)|
Structure:
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