BDBM50322461 2-(4,6-Bis(4-(trifluoromethyl)phenethoxy)pyrimidin-2-ylthio)-hexanoic Acid::CHEMBL1170264

SMILES CCCCC(Sc1nc(OCCc2ccc(cc2)C(F)(F)F)cc(OCCc2ccc(cc2)C(F)(F)F)n1)C(O)=O

InChI Key InChIKey=KWJPWFIDIAXISF-UHFFFAOYSA-N

Data  7 IC50  2 EC50

  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 9 hits for monomerid = 50322461   

TargetProstaglandin G/H synthase 1(Sheep)
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322461(2-(4,6-Bis(4-(trifluoromethyl)phenethoxy)pyrimidin...)
Affinity DataIC50: 1.69E+4nMAssay Description:Inhibition of ovine COX1 after 5 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/21/2010
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322461(2-(4,6-Bis(4-(trifluoromethyl)phenethoxy)pyrimidin...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of human recombinant COX2 after 5 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/21/2010
Entry Details Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322461(2-(4,6-Bis(4-(trifluoromethyl)phenethoxy)pyrimidin...)
Affinity DataEC50:  1.10E+4nMAssay Description:Agonist activity at human PPARgamma-LBD expressed in COS7 cells co-transfected with Gal4 by luciferase based transactivation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/21/2010
Entry Details Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322461(2-(4,6-Bis(4-(trifluoromethyl)phenethoxy)pyrimidin...)
Affinity DataEC50:  1.10E+4nMAssay Description:Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells co-transfected with Gal4 assessed as activation of transactivation act...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322461(2-(4,6-Bis(4-(trifluoromethyl)phenethoxy)pyrimidin...)
Affinity DataIC50: 4.00E+4nMAssay Description:Inhibition of human recombinant COX-2 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 1(Sheep)
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322461(2-(4,6-Bis(4-(trifluoromethyl)phenethoxy)pyrimidin...)
Affinity DataIC50: 1.69E+4nMAssay Description:Inhibition of ovine COX-1 assessed as residual activity by measuring formation of 12-HHT from arachidonic acid by HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322461(2-(4,6-Bis(4-(trifluoromethyl)phenethoxy)pyrimidin...)
Affinity DataIC50: 500nMAssay Description:Inhibition of 5-lipoxygenase-mediated 5(S)-H(p)ETE formation in fMLP-stimulated human PMNL incubated 10 mins prior to fMLP challengeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetPolyunsaturated fatty acid 5-lipoxygenase(Human)
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322461(2-(4,6-Bis(4-(trifluoromethyl)phenethoxy)pyrimidin...)
Affinity DataIC50: 2.20E+3nMAssay Description:Inhibition of human recombinant 5-lipoxygenase-mediated product formation from arachidonic acid after 5 to 10 mins by HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetProstaglandin E synthase(Human)
Zafes/Liff/Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM50322461(2-(4,6-Bis(4-(trifluoromethyl)phenethoxy)pyrimidin...)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 after 15 mins by RP-HPLC an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed