BDBM50196931 CHEMBL246160::N2-(2-chlorobenzyl)-N4-((4-((dimethylamino)methyl)cyclohexyl)methyl)-5-nitropyrimidine-2,4-diamine

SMILES CN(C)CC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+]([O-])=O)CC1

InChI Key InChIKey=JIEPFEWJSJUYOR-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50196931   

TargetProtein kinase C theta type(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50196931(N2-(2-chlorobenzyl)-N4-((4-((dimethylamino)methyl)...)
Affinity DataIC50: 54nMAssay Description:Inhibition of PKCtheta by FP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50196931(N2-(2-chlorobenzyl)-N4-((4-((dimethylamino)methyl)...)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of CYP3A4 in presence of BFC substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50196931(N2-(2-chlorobenzyl)-N4-((4-((dimethylamino)methyl)...)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50196931(N2-(2-chlorobenzyl)-N4-((4-((dimethylamino)methyl)...)
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of CYP3A4 in presence of BQ substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50196931(N2-(2-chlorobenzyl)-N4-((4-((dimethylamino)methyl)...)
Affinity DataIC50: 8.40E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed