BDBM50246565 CHEMBL4068829

SMILES COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCCCn2cc[n+](C)c2\C=N/O)cc1

InChI Key InChIKey=QNLAEALKIXGECE-UHFFFAOYSA-N

Data  1 IC50  4 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50246565   

TargetAcetylcholinesterase(Human)
Tno

Curated by ChEMBL
LigandPNGBDBM50246565(CHEMBL4068829)
Affinity DataKd:  1.16E+5nMAssay Description:Reactivation of VX inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate addi...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2019
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Tno

Curated by ChEMBL
LigandPNGBDBM50246565(CHEMBL4068829)
Affinity DataIC50: 1.00E+6nMAssay Description:Reactivation of organophosphate inhibited human erythrocyte AChE assessed as organophosphate IC50 using acetylthiocholine iodide as substrate preincu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2019
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Tno

Curated by ChEMBL
LigandPNGBDBM50246565(CHEMBL4068829)
Affinity DataKd:  8.20E+4nMAssay Description:Reactivation of sarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2019
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Tno

Curated by ChEMBL
LigandPNGBDBM50246565(CHEMBL4068829)
Affinity DataKd:  8.90E+4nMAssay Description:Reactivation of cyclosarin inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2019
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Tno

Curated by ChEMBL
LigandPNGBDBM50246565(CHEMBL4068829)
Affinity DataKd:  4.80E+4nMAssay Description:Reactivation of tabun inhibited human erythrocyte AChE using acetylthiocholine iodide as substrate preincubated up to 60 mins followed by substrate a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/29/2019
Entry Details Article
PubMed