BDBM50328894 2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimidin-4-yl)propylamino)-2-methylpropanamide::CHEMBL1270269

SMILES CC(C)(NCCCc1cc(nc(n1)C#N)-c1cccc(c1)C(F)(F)F)C(N)=O

InChI Key InChIKey=XCVJGPONRKMMGU-UHFFFAOYSA-N

Data  2 KI  8 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 10 hits for monomerid = 50328894   

TargetCathepsin K(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50328894(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
Affinity DataIC50: 3nMAssay Description:Inhibition of human recombinant cathepsin K using Z-Phe-Arg-MCA substrate by fluorimetric assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCathepsin S(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50328894(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
Affinity DataIC50: 16nMAssay Description:Inhibition of human recombinant cathepsin SMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCathepsin B(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50328894(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
Affinity DataIC50: 2.51E+3nMAssay Description:Inhibition of human recombinant cathepsin BMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetProcathepsin L(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50328894(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant cathepsin LMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50328894(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50328894(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50328894(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50328894(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
Affinity DataIC50: 3.50E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50328894(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
Affinity DataKi:  3.00E+3nMAssay Description:Inhibition of human ERG channel expressed in HEK293 cells by patch clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50328894(2-(3-(2-cyano-6-(3-(trifluoromethyl)phenyl)pyrimid...)
Affinity DataKi:  3.16E+3nMAssay Description:Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/13/2011
Entry Details Article
PubMed