BDBM50004669 CHEMBL106782::N-[2-(5-Dimethylaminomethyl-furan-2-ylmethylsulfanyl)-ethyl]-4,6-dinitro-N'-propyl-benzene-1,3-diamine

SMILES CCCNc1cc(NCCSCc2ccc(CN(C)C)o2)c(cc1[N+]([O-])=O)[N+]([O-])=O

InChI Key InChIKey=JONYPUKQVRMTRD-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 50004669   

TargetCholinesterase(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50004669(CHEMBL106782 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Affinity DataIC50:  3.80E+3nMAssay Description:In vitro inhibition of human butryl cholinesterase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50004669(CHEMBL106782 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Affinity DataIC50:  260nMAssay Description:In vitro inhibition of human acetylcholinesterase.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M2(RAT)
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50004669(CHEMBL106782 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Affinity DataIC50:  3.50E+3nMAssay Description:Binding affinity of the compound against rat muscarinic acetylcholine receptor M2 using heart tissue and [3H]-N-methylscopolamineMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Mus musculus)
University of South Carolina

Curated by ChEMBL
LigandPNGBDBM50004669(CHEMBL106782 | N-[2-(5-Dimethylaminomethyl-furan-2...)
Affinity DataIC50:  3.20E+3nMAssay Description:Inhibition of [3H]-pirenzepine binding to mouse muscarinic acetylcholine receptor M1 from cerebral cortexMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed