BDBM50333782 4-(aminocarbonyl)-1-(3-{4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}propyl)pyridinium dibromide::4-carbamoyl-1-(3-(4-((hydroxyimino)methyl)pyridinium-1-yl)propyl)pyridinium bromide::4-carbamoyl-1-(3-(4-((hydroxyimino)methyl)pyridinium-1-yl)propyl)pyridinium dibromide::CHEMBL397871

SMILES NC(=O)c1cc[n+](CCC[n+]2ccc(CN=O)cc2)cc1

InChI Key InChIKey=YTLZKYJTTLZMBF-UHFFFAOYSA-O

Data  3 KI  1 IC50  1 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 5 hits for monomerid = 50333782   

TargetAcetylcholinesterase(Human)
Pt. Ravishankar Shukla University

Curated by ChEMBL
LigandPNGBDBM50333782(4-(aminocarbonyl)-1-(3-{4-[(E)-(hydroxyimino)methy...)
Affinity DataKd:  4.00E+4nMAssay Description:Binding affinity to paraoxon-inhibited AChE (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2016
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Pt. Ravishankar Shukla University

Curated by ChEMBL
LigandPNGBDBM50333782(4-(aminocarbonyl)-1-(3-{4-[(E)-(hydroxyimino)methy...)
Affinity DataKi:  7.30E+4nMAssay Description:Reversible inhibition of human erythrocytic AChE using acetylthiocholine iodide as substrate measured up to 2 mins by spectrophotometric methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Pt. Ravishankar Shukla University

Curated by ChEMBL
LigandPNGBDBM50333782(4-(aminocarbonyl)-1-(3-{4-[(E)-(hydroxyimino)methy...)
Affinity DataKi:  7.30E+4nMAssay Description:Reactivation of OP compound induced inhibition of AChE in human erythrocytes using ATCh as substrate measured up to 2 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetCholinesterase(Human)
Institute For Medical Research and Occupational Health

Curated by ChEMBL
LigandPNGBDBM50333782(4-(aminocarbonyl)-1-(3-{4-[(E)-(hydroxyimino)methy...)
Affinity DataKi:  6.60E+5nMAssay Description:Reactivation of tabun induced inhibition of BChE in human plasma using ATCh as substrate by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMed
TargetAcetylcholinesterase(Human)
Pt. Ravishankar Shukla University

Curated by ChEMBL
LigandPNGBDBM50333782(4-(aminocarbonyl)-1-(3-{4-[(E)-(hydroxyimino)methy...)
Affinity DataIC50: 7.11E+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