BDBM50268439 (6-(methylsulfonyl)spiro[chroman-2,4'-piperidine]-1'-yl)(4-(trifluoromethyl)phenyl)methanone::CHEMBL497828

SMILES CS(=O)(=O)c1ccc2OC3(CCN(CC3)C(=O)c3ccc(cc3)C(F)(F)F)CCc2c1

InChI Key InChIKey=TXDIMDCQMFKIQP-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 50268439   

TargetBifunctional epoxide hydrolase 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268439((6-(methylsulfonyl)spiro[chroman-2,4'-piperidine]-...)
Affinity DataIC50: 1nMAssay Description:Inhibition of human soluble epoxide hydrolase in HEK293 cells assessed as DHET productionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetSodium channel protein type 5 subunit alpha(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268439((6-(methylsulfonyl)spiro[chroman-2,4'-piperidine]-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of Voltage-gated sodium channel subunit alpha Nav1.5More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetEpoxide hydrolase 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268439((6-(methylsulfonyl)spiro[chroman-2,4'-piperidine]-...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human microsomal epoxide hydrolaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBifunctional epoxide hydrolase 2(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268439((6-(methylsulfonyl)spiro[chroman-2,4'-piperidine]-...)
Affinity DataIC50: 19nMAssay Description:Inhibition of rat soluble epoxide hydrolaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268439((6-(methylsulfonyl)spiro[chroman-2,4'-piperidine]-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268439((6-(methylsulfonyl)spiro[chroman-2,4'-piperidine]-...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetBifunctional epoxide hydrolase 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268439((6-(methylsulfonyl)spiro[chroman-2,4'-piperidine]-...)
Affinity DataIC50: 2nMAssay Description:Inhibition of human soluble epoxide hydrolaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50268439((6-(methylsulfonyl)spiro[chroman-2,4'-piperidine]-...)
Affinity DataIC50: 7.60E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed