Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50307926
Substrate
n/a
Meas. Tech.
ChEMBL_608062 (CHEMBL1072132)
IC50
56700±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:
BDBM50307926
Synonyms:
4-((2,6-dichlorobenzylidene)hydrazono)-1-phenethyl-1,4-dihydropyridine | CHEMBL610507
Type:
Small organic molecule
Emp. Form.:
C20H17Cl2N3
Mol. Mass.:
370.275
SMILES:
Clc1cccc(Cl)c1\C=N\N=c1ccn(CCc2ccccc2)cc1 |(-4.88,-30.85,;-6.21,-31.62,;-7.55,-30.85,;-8.88,-31.62,;-8.87,-33.17,;-7.54,-33.93,;-7.53,-35.47,;-6.22,-33.16,;-4.88,-33.92,;-3.55,-33.15,;-2.21,-33.92,;-.88,-33.15,;.45,-33.92,;1.78,-33.15,;1.79,-31.61,;3.12,-30.84,;4.45,-31.62,;5.79,-30.85,;7.11,-31.63,;8.45,-30.86,;8.45,-29.32,;7.11,-28.55,;5.78,-29.32,;.45,-30.84,;-.89,-31.61,)|
Structure:
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