BDBM50196932 CHEMBL392642::N2-(2-(methylthio)benzyl)-N4-((4-(aminomethyl)cyclohexyl)methyl)-5-nitropyrimidine-2,4-diamine

SMILES CSc1ccccc1CNc1ncc(c(NCC2CCC(CN)CC2)n1)[N+]([O-])=O

InChI Key InChIKey=UVZVWLFSZNPMBS-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 = 50196932   

TargetProtein kinase C theta type(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50196932(N2-(2-(methylthio)benzyl)-N4-((4-(aminomethyl)cycl...)
Affinity DataIC50: 5nMAssay 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 2C9(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50196932(N2-(2-(methylthio)benzyl)-N4-((4-(aminomethyl)cycl...)
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of CYP2C9More 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
LigandPNGBDBM50196932(N2-(2-(methylthio)benzyl)-N4-((4-(aminomethyl)cycl...)
Affinity DataIC50: 4.70E+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
LigandPNGBDBM50196932(N2-(2-(methylthio)benzyl)-N4-((4-(aminomethyl)cycl...)
Affinity DataIC50: 6.90E+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 3A4(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50196932(N2-(2-(methylthio)benzyl)-N4-((4-(aminomethyl)cycl...)
Affinity DataIC50: 3.00E+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