BDBM50187213 CHEMBL3828586

SMILES NC(=O)c1cc[n+](CCCCC[n+]2cccc(NC(=O)C=N/O)c2)cc1

InChI Key InChIKey=AQKQQDHOZZZCHW-UHFFFAOYSA-P

Data  1 IC50  2 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 3 hits for monomerid = 50187213   

TargetAcetylcholinesterase(Human)
Defence Research & Development Establishment

Curated by ChEMBL
LigandPNGBDBM50187213(CHEMBL3828586)
Affinity DataKd:  2.53E+4nMAssay Description:Binding affinity to VX-inhibited hemoglobin free erythrocyte ghost human AChE using acetylcholine iodide as substrate measured for 1 hr by spectropho...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/6/2017
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Defence Research & Development Establishment

Curated by ChEMBL
LigandPNGBDBM50187213(CHEMBL3828586)
Affinity DataKd:  6.67E+4nMAssay Description:Binding affinity to sarin-inhibited hemoglobin free erythrocyte ghost human AChE using acetylcholine iodide as substrate measured for 1 hr by spectro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/6/2017
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Defence Research & Development Establishment

Curated by ChEMBL
LigandPNGBDBM50187213(CHEMBL3828586)
Affinity DataIC50: 7.70E+5nMAssay Description:Inhibition of hemoglobin free erythrocyte ghost human AChE using acetylcholine iodide as substrate measured for 1 hr by spectrophotometry based Ellma...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/6/2017
Entry Details Article
PubMed