BDBM50333779 1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxapropane; dichloride(Toxogonin)::1,3-bis(4-hydroxyiminomethylpyridinium)-2-oxa-propane dichloride::1,3-bis(4-hydroxyiminomethylpyridinium)-2-oxapropane dichloride::4-[(E)-(hydroxyimino)methyl]-1-[({4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride::4-[(E)-(hydroxyimino)methyl]-1-[({4-[(E)-(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride(toxogonin)::4-[(hydroxyimino)methyl]-1-[({4-[(hydroxyimino)methyl]pyridinium-1-yl}methoxy)methyl]pyridinium dichloride::CHEMBL291233::Obidoxime chloride::Toxogonin::obidoxime

SMILES O=NCc1cc[n+](COC[n+]2ccc(CN=O)cc2)cc1

InChI Key InChIKey=KJGQDOYSFATUHG-UHFFFAOYSA-N

Data  7 IC50  11 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50333779   

TargetAcetylcholinesterase(Homo sapiens (Human))
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50333779(1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...)
Affinity DataIC50:  8.70E+5nMAssay Description:Inhibition of hemoglobin free human erythrocyte ghost acetylcholinesterase using acetylthiocholineiodide as substrate measured up to 1 hr by Ellman m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50333779(1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...)
Affinity DataIC50:  6.40E+5nMAssay 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 DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50333779(1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...)
Affinity DataKd:  2.19E+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))
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50333779(1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...)
Affinity DataKd:  9.00E+4nMAssay Description:Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50333779(1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...)
Affinity DataKd:  3.20E+4nMAssay Description:Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50333779(1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...)
Affinity DataKd:  6.60E+4nMAssay Description:Reactivation of tabun-inhibited human acetylcholinesterase assessed as dissociation constantMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50333779(1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...)
Affinity DataIC50:  2.21E+6nMAssay Description:Inhibition of human acetylcholinesterase by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50333779(1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...)
Affinity DataKd:  2.19E+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))
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50333779(1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...)
Affinity DataKd:  2.15E+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(Homo sapiens (Human))
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50333779(1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...)
Affinity DataIC50:  9.10E+5nMAssay Description:Inhibition of hemoglobin free erythrocyte ghost human AChE using acetylcholine iodide as substrate measured for 1 hr by spectrophotometry based Ellma...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50333779(1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...)
Affinity DataIC50:  5.77E+5nMAssay Description:Inhibition of human recombinant AChE by modified Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50333779(1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...)
Affinity DataIC50:  5.77E+5nMAssay Description:Inhibition of human recombinant AChEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCholinesterase(Homo sapiens (Human))
University Of Defence

Curated by ChEMBL
LigandPNGBDBM50333779(1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...)
Affinity DataIC50:  1.91E+6nMAssay Description:Inhibition of human recombinant BChEMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50333779(1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...)
Affinity DataKd:  2.74E+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
TargetAcetylcholinesterase(Homo sapiens (Human))
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50333779(1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...)
Affinity DataKd:  3.13E+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))
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50333779(1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...)
Affinity DataKd:  9.73E+4nMAssay 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))
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50333779(1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...)
Affinity DataKd:  9.46E+5nMAssay 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))
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50333779(1,3-Bis(4-(Hydroxyimino-methyl)-pyridinium)-2-oxap...)
Affinity DataKd:  2.15E+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