BDBM28798 (2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)phenyl]ethoxy}phenyl)propanoic acid::AZ 242::Galida::tesaglitazar

SMILES CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(O)=O

InChI Key InChIKey=CXGTZJYQWSUFET-IBGZPJMESA-N

Data  3 KI  2 IC50  20 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 28798   

TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Spot-Ea3857

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataKi:  18nMAssay Description:Displacement of [3H]Rosiglitazone from human PPARgammaMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Mus musculus)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataKi:  200nMAssay Description:Binding affinity for murine peroxisome proliferator activated receptor gammaMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataKi:  1.00E+3nMAssay Description:Binding affinity for human peroxisome proliferator activated receptor alphaMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Spot-Ea3857

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  1.30E+3nMAssay Description:Agonistic activity of the compound for human Peroxisome proliferator activated receptor gammaMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Spot-Ea3857

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataIC50:  350nMAssay Description:Receptor binding affinity of the compound to human Peroxisome proliferator activated receptor gamma against [3H]-ragalitazar radioligandMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataIC50:  3.80E+3nMAssay Description:Receptor binding affinity of the compound to human Peroxisome proliferator activated receptor alpha against [3H]-NNC 0061-4655 radioligandMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Mus musculus)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  250nMAssay Description:Effective concentration against murine peroxisome proliferator activated receptor gamma in Gal4 transactivation assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  1.70E+3nMAssay Description:Effective concentration against human peroxisome proliferator activated receptor alpha in Gal4 transactivation assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  414nMAssay Description:Agonist activity at human PPARalpha by GAL4 transactivation assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  37nMAssay Description:Agonist activity at human PPARalpha at 100 uM by GAL4 transactivation assay relative to WY 14,643More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  820nMAssay Description:Agonist activity at human PPARalpha ligand binding domain expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of bet...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Spot-Ea3857

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  13nMAssay Description:Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of bet...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  3.12E+3nMAssay Description:Agonist activity at human PPARalpha expressed in african green monkey CV-1 by cotransfected with GAL4 by by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Spot-Ea3857

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  704nMAssay Description:Agonist activity at human PPARgamma expressed in african green monkey CV-1 cotransfected with GAL4 by by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Spot-Ea3857

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  704nMAssay Description:Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  3.12E+3nMAssay Description:Agonist activity at human PPARalpha ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Spot-Ea3857

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  1.30E+3nMAssay Description:Agonist activity at GAL4-fused PPARgamma assessed as transcriptional activity by cell based assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  1.20E+3nMAssay Description:Agonist activity at GAL4-fused PPARalpha assessed as transcriptional activity by cell based assayMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Spot-Ea3857

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  360nMAssay Description:Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Mus musculus)
The University Of Tokyo

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  1.70E+3nMAssay Description:Compound was evaluated for its ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15 .More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Mus musculus)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  250nMAssay Description:Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  1.20E+3nMAssay Description:Agonistic activity of the compound for Peroxisome proliferator activated receptor alphaMore data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  3.80E+3nMAssay Description:Ability to displace [3H]quipazine binding to 5-hydroxytryptamine 3 receptor sites in NG 108-15.More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor gamma(Homo sapiens (Human))
Spot-Ea3857

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  3.53E+3nMAssay Description:The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. EC50 is the concentration...More data for this Ligand-Target Pair
TargetPeroxisome proliferator-activated receptor alpha(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM28798((2S)-2-ethoxy-3-(4-{2-[4-(methanesulfonyloxy)pheny...)
Affinity DataEC50:  9.80E+3nMAssay Description:The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. EC50 is the concentration...More data for this Ligand-Target Pair