BDBM50297400 (S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulfonyl-phenyl)-propyl]-benzamide::4-cyano-N-{(3S)-3-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]propyl}benzamide::CHEMBL556717

SMILES CS(=O)(=O)c1ccc(cc1)[C@@H](CCNC(=O)c2ccc(cc2)C#N)c3ccc(cc3)F

InChI Key InChIKey=OXJGQTIVCHEXQS-UHFFFAOYSA-N

Data  7 IC50  2 EC50

  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 9 hits for monomerid = 50297400   

TargetBifunctional epoxide hydrolase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50297400((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Affinity DataIC50: 8nMAssay Description:Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetBifunctional epoxide hydrolase 2(Rat)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50297400((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Affinity DataIC50: 9nMAssay Description:Displacement of rhodamine-labeled probe from rat soluble epoxide hydrolase by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50297400((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50297400((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetCytochrome P450 2J2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50297400((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of CYP2J2More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetBifunctional epoxide hydrolase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50297400((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Affinity DataEC50:  0.140nMAssay Description:Inhibition of human soluble epoxide hydrolase in human HepG cells assessed as conversion of epoxyeicosatienoic acid to dihydroxyeicosatrienoic acid a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetBifunctional epoxide hydrolase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50297400((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Affinity DataEC50:  0.300nMAssay Description:Inhibition of human soluble epoxide hydrolase in human HepG cells assessed as conversion of epoxyeicosatienoic acid to dihydroxyeicosatrienoic acid a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetBifunctional epoxide hydrolase 2(Human)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50297400((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Affinity DataIC50: 6nMAssay Description:Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed
TargetBifunctional epoxide hydrolase 2(Rat)
Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50297400((S)-4-Cyano-N-[3-(4-fluorophenyl)-3-(4-methanesulf...)
Affinity DataIC50: 6nMAssay Description:Displacement of rhodamine-labeled probe from rat soluble epoxide hydrolase by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/27/2010
Entry Details Article
PubMed