BDBM50005571 CHEMBL139138::CHEMBL2181429

SMILES NC(=O)c1cc[n+](COC[n+]2ccc(C=NO)cc2C=NO)cc1

InChI Key InChIKey=SODKCPHRJDOHMI-UHFFFAOYSA-P

Data  3 Kd

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50005571   

TargetAcetylcholinesterase(Human)
University of Strasburg

Curated by ChEMBL
LigandPNGBDBM50005571(CHEMBL139138 | CHEMBL2181429)
Affinity DataKd:  7.80E+3nMAssay 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 Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
University of Strasburg

Curated by ChEMBL
LigandPNGBDBM50005571(CHEMBL139138 | CHEMBL2181429)
Affinity DataKd:  1.06E+5nMAssay Description:Reactivation of tabun-inhibited recombinant human AChE measured up to 10 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
University of Strasburg

Curated by ChEMBL
LigandPNGBDBM50005571(CHEMBL139138 | CHEMBL2181429)
Affinity DataKd:  2.10E+5nMAssay Description:Reactivation of paraoxon-inhibited recombinant human AChE measured up to 10 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)