BDBM50563464 CHEMBL4749209

SMILES Cc1cc(CN2CCN(CC2)c2ccncc2)c(O)c(\C=N\O)c1

InChI Key InChIKey=YTRWDALSIVPPCW-UHFFFAOYSA-N

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 = 50563464   

TargetAcetylcholinesterase(Human)
Fourth Military Medical University

Curated by ChEMBL
LigandPNGBDBM50563464(CHEMBL4749209)
Affinity DataKd:  1.31E+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
PubMed
TargetAcetylcholinesterase(Human)
Fourth Military Medical University

Curated by ChEMBL
LigandPNGBDBM50563464(CHEMBL4749209)
Affinity DataKd:  1.73E+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
PubMed
TargetAcetylcholinesterase(Human)
Fourth Military Medical University

Curated by ChEMBL
LigandPNGBDBM50563464(CHEMBL4749209)
Affinity DataIC50: 4.84E+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
PubMed