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
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 5 hits for monomerid = 50333782   

TargetAcetylcholinesterase(Homo sapiens (Human))
Institute For Medical Research And Occupational Health

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 DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Institute For Medical Research And Occupational Health

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 DepthDetails PubMed
TargetCholinesterase(Homo sapiens (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 DepthDetails PubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Institute For Medical Research And Occupational Health

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 DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Institute For Medical Research And Occupational Health

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 DepthDetails ArticlePubMed