BDBM50246567 CHEMBL4063984

SMILES COc1ccc(CN(CC(=O)NCc2ccccc2)C(=O)CCCCCn2ccnc2\C=N\O)cc1

InChI Key InChIKey=WHYFNTZDUKGJCH-UHFFFAOYSA-N

Data  1 IC50  3 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50246567   

TargetAcetylcholinesterase(Human)
Tno

Curated by ChEMBL
LigandPNGBDBM50246567(CHEMBL4063984)
Affinity DataIC50: 1.80E+5nMAssay 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
LigandPNGBDBM50246567(CHEMBL4063984)
Affinity DataKd:  2.74E+5nMAssay 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
LigandPNGBDBM50246567(CHEMBL4063984)
Affinity DataKd:  1.55E+5nMAssay 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
LigandPNGBDBM50246567(CHEMBL4063984)
Affinity DataKd:  1.40E+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