BDBM50035852 HI-6

SMILES c1cc[n+](c(c1)\C=N\O)COC[n+]2ccc(cc2)C(=O)N

InChI Key InChIKey=FJZDLOMCEPUCII-UHFFFAOYSA-P

Data  3 IC50  6 Kd

PDB links: 17 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 9 hits for monomerid = 50035852   

TargetAcetylcholinesterase(Human)
Institute of Pharmacology and Toxicology

Curated by ChEMBL
LigandPNGBDBM50035852(HI-6)
Affinity DataKd:  9.30E+4nMAssay Description:Reactivation of sarin-inhibited human acetylcholinesterase assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/15/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
Institute of Pharmacology and Toxicology

Curated by ChEMBL
LigandPNGBDBM50035852(HI-6)
Affinity DataKd:  2.70E+4nMAssay Description:Reactivation of VX-inhibited human acetylcholinesterase assessed as dissociation constantMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/15/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
Institute of Pharmacology and Toxicology

Curated by ChEMBL
LigandPNGBDBM50035852(HI-6)
Affinity DataIC50: 1.36E+6nMAssay Description:Inhibition of human acetylcholinesterase by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/15/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
Institute of Pharmacology and Toxicology

Curated by ChEMBL
LigandPNGBDBM50035852(HI-6)
Affinity DataIC50: 6.68E+5nMAssay Description:Inhibition of human AChE using acetylthiocholine as substrate preincubated for 30 mins followed by substrate addition measured every 5 mins for 20 mi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/12/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
Institute of Pharmacology and Toxicology

Curated by ChEMBL
LigandPNGBDBM50035852(HI-6)
Affinity DataKd:  1.50E+4nMAssay Description:Reactivation of VX-induced inhibition of human AChE assessed as dissociation constant using acetylthiocholine as substrate preincubated for 30 mins f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/12/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
Institute of Pharmacology and Toxicology

Curated by ChEMBL
LigandPNGBDBM50035852(HI-6)
Affinity DataKd:  2.34E+5nMAssay Description:Reactivation of sarin-induced inhibition of human AChE assessed as dissociation constant using acetylthiocholine as substrate preincubated for 30 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/12/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
Institute of Pharmacology and Toxicology

Curated by ChEMBL
LigandPNGBDBM50035852(HI-6)
Affinity DataIC50: 6.36E+5nMAssay Description:Inhibition of human AChE assessed as decrease in enzyme activity incubated for 30 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
Institute of Pharmacology and Toxicology

Curated by ChEMBL
LigandPNGBDBM50035852(HI-6)
Affinity DataKd:  6.03E+4nMAssay Description:Reactivation of VX-inhibited human AChE assessed as dissociation constant incubated for 30 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetAcetylcholinesterase(Human)
Institute of Pharmacology and Toxicology

Curated by ChEMBL
LigandPNGBDBM50035852(HI-6)
Affinity DataKd:  2.93E+4nMAssay Description:Reactivation of sarin-inhibited human AChE assessed as dissociation constant incubated for 30 mins by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)