Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50307925
Substrate
n/a
Meas. Tech.
ChEMBL_608062 (CHEMBL1072132)
IC50
17400±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:
BDBM50307925
Synonyms:
1-benzyl-4-((2,6-dichlorobenzylidene)hydrazono)-1,4-dihydropyridine | CHEMBL598650
Type:
Small organic molecule
Emp. Form.:
C19H15Cl2N3
Mol. Mass.:
356.249
SMILES:
Clc1cccc(Cl)c1\C=N\N=c1ccn(Cc2ccccc2)cc1 |(9.22,-23.07,;7.88,-23.84,;6.55,-23.07,;5.21,-23.84,;5.22,-25.39,;6.56,-26.15,;6.57,-27.69,;7.88,-25.38,;9.22,-26.15,;10.55,-25.37,;11.89,-26.14,;13.22,-25.37,;14.55,-26.14,;15.88,-25.37,;15.89,-23.83,;17.22,-23.06,;18.56,-23.84,;18.54,-25.38,;19.87,-26.15,;21.21,-25.38,;21.21,-23.83,;19.88,-23.07,;14.55,-23.06,;13.21,-23.83,)|
Structure:
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