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Target
Acetylcholinesterase
Ligand
BDBM50307928
Substrate
n/a
Meas. Tech.
ChEMBL_608062 (CHEMBL1072132)
IC50
6400±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:
BDBM50307928
Synonyms:
1-(2,6-dichlorobenzyl)-4-((2,6-dichlorobenzylidene)hydrazono)-1,4-dihydropyridine | CHEMBL597994
Type:
Small organic molecule
Emp. Form.:
C19H13Cl4N3
Mol. Mass.:
425.139
SMILES:
Clc1cccc(Cl)c1Cn1ccc(cc1)=N\N=C\c1c(Cl)cccc1Cl |(6.37,-36.83,;6.37,-38.37,;7.71,-39.13,;7.71,-40.68,;6.37,-41.45,;5.04,-40.67,;3.7,-41.44,;5.05,-39.14,;3.72,-38.36,;2.39,-39.13,;2.38,-40.67,;1.05,-41.44,;-.28,-40.67,;-.29,-39.13,;1.05,-38.36,;-1.61,-41.44,;-2.95,-40.67,;-4.28,-41.44,;-5.62,-40.68,;-5.61,-39.14,;-4.28,-38.37,;-6.95,-38.37,;-8.28,-39.14,;-8.28,-40.69,;-6.94,-41.45,;-6.93,-42.99,)|
Structure:
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