BDBM50008563 3-nitrotoluene::CHEMBL114059

SMILES Cc1cccc(c1)[N+](=O)[O-]

InChI Key InChIKey=QZYHIOPPLUPUJF-UHFFFAOYSA-N

Data  2 IC50

PDB links: 4 PDB IDs match this monomer.

  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 2 hits for monomerid = 50008563   

TargetAcetylcholinesterase(Human)
University of Illinois

Curated by ChEMBL
LigandPNGBDBM50008563(CHEMBL114059 | 3-nitrotoluene)
Affinity DataIC50: 4nMAssay Description:Inhibition of acetylcholinesterase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
University of Illinois

Curated by ChEMBL
LigandPNGBDBM50008563(CHEMBL114059 | 3-nitrotoluene)
Affinity DataIC50: 4.90E+3nMAssay Description:IC50 against acetylcholinesterase; value ranges from 1-4900 nM.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed