BDBM50196943 CHEMBL246161::N2-(2-chlorobenzyl)-5-nitro-N4-(piperidin-4-ylmethyl)pyrimidine-2,4-diamine

SMILES [O-][N+](=O)c1cnc(NCc2ccccc2Cl)nc1NCC1CCNCC1

InChI Key InChIKey=COCZJEZLXFFSJJ-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50196943   

TargetCytochrome P450 3A4(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50196943(N2-(2-chlorobenzyl)-5-nitro-N4-(piperidin-4-ylmeth...)
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
TargetCytochrome P450 2C9(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50196943(N2-(2-chlorobenzyl)-5-nitro-N4-(piperidin-4-ylmeth...)
Affinity DataIC50: 1.76E+4nMAssay Description:Inhibition of CYP2C9More 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
LigandPNGBDBM50196943(N2-(2-chlorobenzyl)-5-nitro-N4-(piperidin-4-ylmeth...)
Affinity DataIC50: 2.80E+4nMAssay 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
LigandPNGBDBM50196943(N2-(2-chlorobenzyl)-5-nitro-N4-(piperidin-4-ylmeth...)
Affinity DataIC50: 3.00E+4nMAssay 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
LigandPNGBDBM50196943(N2-(2-chlorobenzyl)-5-nitro-N4-(piperidin-4-ylmeth...)
Affinity DataIC50: 90nMAssay 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