BDBM50342874 1,1'-[4,4'-(Butane-1,4-diyl)bis(1,4-phenylene)]bis(methylene)bis(4-(dimethylamino)pyridinium)bromide::CHEMBL1771545

SMILES C[N+](C)=c1ccn(Cc2ccc(CCCCc3ccc(Cn4ccc(cc4)=[N+](C)C)cc3)cc2)cc1

InChI Key InChIKey=CISZCCSQLOSREG-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50342874   

TargetAcetylcholinesterase(Bovine)
Universidad De Granada

Curated by ChEMBL
LigandPNGBDBM50342874(1,1'-[4,4'-(Butane-1,4-diyl)bis(1,4-phenylene)]bis...)
Affinity DataIC50: 252nMAssay Description:Inhibition of bovine AChE after 20 mins using acetylthiocholine iodide as a substrate by Ellman's assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetCarboxylic ester hydrolase(Horse)
Universidad De Granada

Curated by ChEMBL
LigandPNGBDBM50342874(1,1'-[4,4'-(Butane-1,4-diyl)bis(1,4-phenylene)]bis...)
Affinity DataIC50: 372nMAssay Description:Inhibition of equine BChE after 20 mins using butyrylthiocholine iodide as a substrate by Ellman's assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2011
Entry Details Article
PubMed
TargetCholine kinase alpha(Human)
Universidad De Granada

Curated by ChEMBL
LigandPNGBDBM50342874(1,1'-[4,4'-(Butane-1,4-diyl)bis(1,4-phenylene)]bis...)
Affinity DataIC50: 780nMAssay Description:Inhibition of human choline kinase alpha1 using [methyl-14C]choline as substrate assessed as reduction in rate of incorporation of 14C from [methyl-1...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2020
Entry Details Article
PubMed
TargetCholine kinase(Plasmodium falciparum (isolate 3D7))
Universidad De Granada

Curated by ChEMBL
LigandPNGBDBM50342874(1,1'-[4,4'-(Butane-1,4-diyl)bis(1,4-phenylene)]bis...)
Affinity DataIC50: 1.06E+5nMAssay Description:Inhibition of Plasmodium falciparum 3D7 choline kinase expressed in Escherichia coli BL21(DE3) assessed as reduction in phosphocholine formationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2020
Entry Details Article
PubMed