BDBM50013127 CHEMBL3261991

SMILES ON=CC(=O)Nc1ccc[n+](Cc2cccc(C[n+]3cccc(NC(=O)C=NO)c3)c2)c1

InChI Key InChIKey=JFFXISWKPOQVNH-UHFFFAOYSA-P

Data  1 IC50  2 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 3 hits for monomerid = 50013127   

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

Curated by ChEMBL
LigandPNGBDBM50013127(CHEMBL3261991)
Affinity DataKd:  4.84E+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 Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50013127(CHEMBL3261991)
Affinity DataKd:  5.49E+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 Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Defence Research & Development Establishment (Drde)

Curated by ChEMBL
LigandPNGBDBM50013127(CHEMBL3261991)
Affinity DataIC50: 1.67E+6nMAssay 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 Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed