Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50119779
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
4±0
Temperature
298.15±0 K
IC50
25.8±1.4 nM
Citation
 Bunyapaiboonsri, T; Ramström, O; Lohmann, S; Lehn, JM; Peng, L; Goeldner, M Dynamic deconvolution of a pre-equilibrated dynamic combinatorial library of acetylcholinesterase inhibitors. Chembiochem 2:438-44 (2001) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_TORMA | Acetylcholinesterase (AChE) | ache
Type:
Enzyme
Mol. Mass.:
66739.82
Organism:
Torpedo marmorata (Marbled electric ray)
Description:
P07692
Residue:
590
Sequence:
MREMNLLVTSSLGVLLHLVVLCQADDDSELLVNTKSGKVMRTRIPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFPGSEMWNPNREMSEDCLYLNIWVPSPRPKSATVMLWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNMGLLDQRMALQWVHDNIQFFGGDPKTVTLFGESAGRASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELRRNLNCNLNSDEDLIQCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNAGNFKKTQILLGVNKDEGSFFLLYGAPGFSKDSESKISREDFMSGVKLSVPHANDLGLDAVTLQYTDWMDDNNGIKNRDGLDDIVGDHNVICPLMHFVNKYTKFGNGTYLYFFNHRASNLVWPEWMGVIHGYEIEFVFGLPLVKELNYTAEEEALSRRIMHYWATFAKTGNPNEPHSQESKWPLFTTKEQKFIDLNTEPIKVHQRLRVQMCVFWNQFLPKLLNATACDGELSSSGTSSSKGIIFYVLFSILYLIFY
  
Inhibitor
Name:
BDBM50119779
Synonyms:
1,1'-(decane-1,10-diyl)dipyridinium iodide | 1,10-Bis(pyridinium)decane | 1,10-di(1-pyridiniumyl)decane; diiodide | CHEMBL105794 | CHEMBL225689
Type:
Small organic molecule
Emp. Form.:
C20H30N2
Mol. Mass.:
298.4645
SMILES:
C(CCCCC[n+]1ccccc1)CCCC[n+]1ccccc1
Structure:
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