BDBM50196930 CHEMBL246970::N2-(2-chlorobenzyl)-N4-((4-(aminomethyl)cyclohexyl)methyl)-5-nitropyrimidine-2,4-diamine

SMILES NCC1CCC(CNc2nc(NCc3ccccc3Cl)ncc2[N+]([O-])=O)CC1

InChI Key InChIKey=TUJUZVJICDSNLY-UHFFFAOYSA-N

Data  7 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 7 hits for monomerid = 50196930   

TargetCytochrome P450 3A4(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50196930(N2-(2-chlorobenzyl)-N4-((4-(aminomethyl)cyclohexyl...)
Affinity DataIC50: 1.40E+3nMAssay 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 3A4(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50196930(N2-(2-chlorobenzyl)-N4-((4-(aminomethyl)cyclohexyl...)
Affinity DataIC50: 700nMAssay 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
TargetProtein kinase C theta type(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50196930(N2-(2-chlorobenzyl)-N4-((4-(aminomethyl)cyclohexyl...)
Affinity DataIC50: 290nMAssay Description:Inhibition of PKCtheta in presence of 50 uM ATPMore 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
LigandPNGBDBM50196930(N2-(2-chlorobenzyl)-N4-((4-(aminomethyl)cyclohexyl...)
Affinity DataIC50: 4.30E+3nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProtein kinase C theta type(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50196930(N2-(2-chlorobenzyl)-N4-((4-(aminomethyl)cyclohexyl...)
Affinity DataIC50: 630nMAssay Description:Inhibition of PKCtheta in presence of 100 uM ATPMore 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
LigandPNGBDBM50196930(N2-(2-chlorobenzyl)-N4-((4-(aminomethyl)cyclohexyl...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetProtein kinase C theta type(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50196930(N2-(2-chlorobenzyl)-N4-((4-(aminomethyl)cyclohexyl...)
Affinity DataIC50: 46nMAssay 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