BDBM50004658 2-{5-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethylamino]-2,4-dinitro-phenylamino}-benzonitrile::CHEMBL106082

SMILES CN(C)Cc1ccc(CSCCNc2cc(Nc3ccccc3C#N)c(cc2[N+]([O-])=O)[N+]([O-])=O)o1

InChI Key InChIKey=MVJGXHDGHVCSQW-UHFFFAOYSA-N

Data  4 IC50

  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 = 50004658   

TargetAcetylcholinesterase(Human)
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50004658(CHEMBL106082 | 2-{5-[2-(5-Dimethylaminomethyl-fura...)
Affinity DataIC50: 630nMAssay Description:In vitro inhibition of human acetylcholinesterase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1(Mouse)
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50004658(CHEMBL106082 | 2-{5-[2-(5-Dimethylaminomethyl-fura...)
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of [3H]pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortexMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M2(Rat)
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50004658(CHEMBL106082 | 2-{5-[2-(5-Dimethylaminomethyl-fura...)
Affinity DataIC50: 3.70E+3nMAssay Description:Inhibition of [3H]N-methylscopolamine to rat muscarinic acetylcholine receptor M2 from heart tissueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCholinesterase(Human)
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50004658(CHEMBL106082 | 2-{5-[2-(5-Dimethylaminomethyl-fura...)
Affinity DataIC50: 1.80E+3nMAssay Description:In vitro inhibition of human butryl cholinesterase.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed