BDBM50011780 2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium chloride::CHEMBL748::PRALIDOXIME::PRALIDOXIME CHLORIDE::Pralidoxine chloride

SMILES C[n+]1ccccc1CN=O

InChI Key InChIKey=MHOAUIZFSQGCNM-UHFFFAOYSA-N

Data  1 KI  15 IC50  13 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50011780   

TargetAcetylcholinesterase(Homo sapiens (Human))
Fourth Military Medical University

Curated by ChEMBL
LigandPNGBDBM50011780(2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...)
Affinity DataKd:  2.15E+5nMAssay Description:Reactivation of methylphosphonothioate VX-inhibited recombinant human AChE measured up to 10 mins by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Fourth Military Medical University

Curated by ChEMBL
LigandPNGBDBM50011780(2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...)
Affinity DataKd:  2.57E+4nMAssay Description:Binding affinity to sarin-inhibited hemoglobin free human erythrocyte ghost acetylcholinesterase using acetylthiocholineiodide as substrate measured ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Fourth Military Medical University

Curated by ChEMBL
LigandPNGBDBM50011780(2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...)
Affinity DataKd:  3.14E+4nMAssay Description:Binding affinity to VX-inhibited hemoglobin free human erythrocyte ghost acetylcholinesterase using acetylthiocholineiodide as substrate measured up ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Fourth Military Medical University

Curated by ChEMBL
LigandPNGBDBM50011780(2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...)
Affinity DataKd:  1.78E+4nMAssay Description:Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye bas...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Fourth Military Medical University

Curated by ChEMBL
LigandPNGBDBM50011780(2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...)
Affinity DataKd:  3.47E+4nMAssay Description:Reactivation of O-ethylsarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DT...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Fourth Military Medical University

Curated by ChEMBL
LigandPNGBDBM50011780(2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...)
Affinity DataKd:  2.88E+4nMAssay Description:Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constant incubated for 60 mins using ATChI substrate by DTNB dye ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Fourth Military Medical University

Curated by ChEMBL
LigandPNGBDBM50011780(2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...)
Affinity DataKd:  3.14E+4nMAssay Description:Binding affinity to VX-inhibited hemoglobin free erythrocyte ghost human AChE using acetylcholine iodide as substrate measured for 1 hr by spectropho...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Fourth Military Medical University

Curated by ChEMBL
LigandPNGBDBM50011780(2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...)
Affinity DataKd:  2.57E+4nMAssay Description:Binding affinity to sarin-inhibited hemoglobin free erythrocyte ghost human AChE using acetylcholine iodide as substrate measured for 1 hr by spectro...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Rattus norvegicus (rat))
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50011780(2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...)
Affinity DataKd:  2.10E+5nMAssay Description:Binding affinity to AChE in rat brain homogenateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Fourth Military Medical University

Curated by ChEMBL
LigandPNGBDBM50011780(2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...)
Affinity DataKd:  2.76E+4nMAssay Description:Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Fourth Military Medical University

Curated by ChEMBL
LigandPNGBDBM50011780(2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...)
Affinity DataKd:  3.16E+6nMAssay Description:Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Fourth Military Medical University

Curated by ChEMBL
LigandPNGBDBM50011780(2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...)
Affinity DataKd:  7.06E+5nMAssay Description:Reactivation of tabun inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Fourth Military Medical University

Curated by ChEMBL
LigandPNGBDBM50011780(2-[(E)-(hydroxyimino)methyl]-1-methylpyridinium ch...)
Affinity DataKd:  2.81E+4nMAssay Description:Reactivation of VX inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate addi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed