BDBM50020522 1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-((hydroxyimino)methyl)pyridinium chloride::1-(2-hydroxyimino-methylpyridium)-3-(4-carboamidopyridinium)-2-oxapropane; dichloride(HI-6)::1-(2-hydroxyiminomethylpyridinium)-3-(4-carbamoylpyridinium)-2-oxa-propane dichloride::1-(2-hydroxyiminomethylpyridinium)-3-(4-carbamoylpyridinium)-2-oxapropane dichloride::4-(aminocarbonyl)-1-({[1-chloro-2-[(E)-(hydroxyimino)methyl]pyridinium-1(2H)-yl]methoxy}methyl)pyridinium; chloride::4-(aminocarbonyl)-1-({[1-chloro-2-[(E)-(hydroxyimino)methyl]pyridinium-1(2H)-yl]methoxy}methyl)pyridinium;chloride::4-(aminocarbonyl)-1-[({2-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride::4-(aminocarbonyl)-1-[({2-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride (HI-6)::4-(aminocarbonyl)-1-[({2-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride[HI-6]::4-(aminocarbonyl)-1-[({2-[(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride::4-carbamoyl-2-((E)-(hydroxyimino)methyl)-1-(((2-((E)-(hydroxyimino)methyl)pyridinium-1-yl)methoxy)methyl)pyridinium chloride::CHEMBL33051

SMILES NC(=O)c1cc[n+](COC[n+]2ccccc2CN=O)cc1

InChI Key InChIKey=NKSPYIAUOHPESI-UHFFFAOYSA-O

Data  3 KI  9 IC50  5 Kd

  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 17 hits for monomerid = 50020522   

TargetAcetylcholinesterase(Human)
University of Defence

Curated by ChEMBL
LigandPNGBDBM50020522(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Affinity DataIC50: 2.03E+5nMAssay Description:Inhibition of human recombinant AChE by modified Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2013
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
University of Defence

Curated by ChEMBL
LigandPNGBDBM50020522(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Affinity DataIC50: 5.50E+4nMAssay Description:Inhibition of recombinant His-TEV-tagged human AChE expressed in CHO-K1 cells using acetylthiocholine iodide as substrate measured for 6 mins by Ellm...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
University of Defence

Curated by ChEMBL
LigandPNGBDBM50020522(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Affinity DataIC50: 5.40E+4nMAssay Description:Inhibition of human recombinant AChE by spectrophotometry based Ellman's assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
University of Defence

Curated by ChEMBL
LigandPNGBDBM50020522(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Affinity DataKd:  8.00E+5nMAssay Description:Reactivation of ethyl paraoxon-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
University of Defence

Curated by ChEMBL
LigandPNGBDBM50020522(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Affinity DataKd:  9.00E+4nMAssay Description:Reactivation of NIMP-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
University of Defence

Curated by ChEMBL
LigandPNGBDBM50020522(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Affinity DataKd:  2.00E+5nMAssay Description:Reactivation of tabun-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 m...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
University of Defence

Curated by ChEMBL
LigandPNGBDBM50020522(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Affinity DataKd:  7.00E+4nMAssay Description:Reactivation of VX-inhibited human recombinant AChE assessed as dissociation constant of inhibited enzyme-compound complex incubated for 1 to 10 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1/M2/M3/M4/M5(Mouse)
Sri International

Curated by ChEMBL
LigandPNGBDBM50020522(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Affinity DataIC50: 1.60E+5nMAssay Description:Compound was tested for the binding affinity towards muscarinic acetylcholine receptor in mouse brain membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2012
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
Sri International

Curated by ChEMBL
LigandPNGBDBM50020522(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Affinity DataIC50: 8.00E+5nMAssay Description:Inhibition of eel acetylcholinesterase (AChE) activity by 50% More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2012
Entry Details Article
PubMed
TargetCholine O-acetyltransferase(Rat)
Sri International

Curated by ChEMBL
LigandPNGBDBM50020522(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Affinity DataIC50: 8.03E+5nMAssay Description:Compound was tested for the competitive inhibition of acetylcholinesterase (AChE)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2012
Entry Details Article
PubMed
TargetAcetylcholinesterase(Bovine)
Sri International

Curated by ChEMBL
LigandPNGBDBM50020522(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Affinity DataIC50: 1.26E+5nMAssay Description:Inhibition of acetylcholinesterase (AChE) in bovine erythrocyte(RBC)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2012
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
University of Defence

Curated by ChEMBL
LigandPNGBDBM50020522(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Affinity DataIC50: 4.60E+5nMAssay Description:Reversible inhibition of Human AchEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/14/2012
Entry Details Article
PubMed
TargetAcetylcholinesterase(Rat)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50020522(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Affinity DataKd:  2.40E+4nMAssay Description:Binding affinity to AChE in rat brain homogenateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/23/2012
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
University of Defence

Curated by ChEMBL
LigandPNGBDBM50020522(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Affinity DataIC50: 8.90E+4nMAssay Description:Concentration required to inhibit 50% of acetylcholinesterase (AChE) in human erythrocyte(RBC).More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2012
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
University of Defence

Curated by ChEMBL
LigandPNGBDBM50020522(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Affinity DataKi:  2.50E+4nMAssay Description:Reversible inhibition of recombinant human recombinant AChE using acetylthiocholine iodide as substrate by Ellman spectrophotometric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetCholinesterase(Human)
Institute For Medical Research and Occupational Health

Curated by ChEMBL
LigandPNGBDBM50020522(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Affinity DataKi:  2.15E+5nMAssay Description:Reversible inhibition of human plasma BChE using acetylthiocholine iodide as substrate by Ellman spectrophotometric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetAcetylcholinesterase(Electric eel)
Sri International

Curated by ChEMBL
LigandPNGBDBM50020522(1-(((4-carbamoylpyridinium-1-yl)methoxy)methyl)-2-...)
Affinity DataKi:  2.29E+5nMAssay Description:Inhibition of eel acetylcholinesterase (AChE) activity by 50% More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2012
Entry Details Article
PubMed