BDBM50085048 (S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyridin-2-yl-amino)-ethoxy]-phenyl}-propionic acid::(S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyridin-2-yl)amino)ethoxy)phenyl)propanoic acid::2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyridin-2-yl-amino)-ethoxy]-phenyl}-propionic acid::CHEMBL434063

SMILES CN(CCOc1ccc(cc1)C[C@@H](C(=O)O)Nc2ccccc2C(=O)c3ccccc3)c4ccccn4

InChI Key InChIKey=QTQMRBZOBKYXCG-UHFFFAOYSA-N

Data  11 KI  20 EC50

PDB links: 13 PDB IDs match this monomer.

  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 31 hits for monomerid = 50085048   

TargetPeroxisome proliferator-activated receptor alpha(Human)
Trinity College

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  5.53E+4nMAssay Description:Displacement of pan-PPAR fluormone from PPARalpha LBD by TR-FRET based LanthaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  100nMAssay Description:Agonist activity at PPARgamma LBD (unknown origin) assessed as increase in recruitment of coactivator RAP250 to PPARgamma LBD by TR-FRET-based nuclea...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  50nMAssay Description:Partial agonist activity at PPARgamma (unknown origin) assessed as increase in fluorescein labeled PRIP/RAP250 coactivator peptide requirement by Lan...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  40nMAssay Description:Agonist activity at PPARgamma (unknown origin) assessed as increase in fluorescein labeled PRIP/RAP250 coactivator peptide requirement by Lanthascree...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  5nMAssay Description:Agonist activity at PPARgamma (unknown origin) assessed as increase in fluorescein labeled TRAP220/DRIP-2 coactivator peptide requirement by Lanthasc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  17nMAssay Description:Agonist activity at PPARgamma LBD (unknown origin) assessed as increase in recruitment of coactivator peptide fluorescein-TRAP220/DRIP by TR-FRET ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  1.5nMAssay Description:Agonist activity at PPARgamma (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  12nMAssay Description:Agonist activity at human PPAR-gammaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  110nMAssay Description:Partial agonist activity at PPARgamma LBD (unknown origin) assessed as increase in recruitment of coactivator peptide C33 by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  130nMAssay Description:Competitive binding affinity to GST-tagged human PPARgamma LBD incubated for 1 to 6 hrs by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  389nMAssay Description:Activation of peroxisome proliferator activated receptor gamma measured by induction of 50% of maximum alkaline phosphatase activity, transfection as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  3.70nMAssay Description:Displacement of pan-PPAR fluormone from PPARgamma LBD by TR-FRET based LanthaScreen assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  26nMAssay Description:Binding affinity to PPARgamma LBD by fluorescence polarization based competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  6nMAssay Description:Agonist activity at human PPARgamma expressed in african green monkey CV1 cells by Gal4 transactivation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Mouse)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  13nMAssay Description:Agonist activity at mouse PPARgamma expressed in african green monkey CV1 cells by Gal4 transactivation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/1/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Mouse)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  13nMAssay Description:Agonist activity for murine PPAR gamma receptor in transcriptional activation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  6.20nMAssay Description:Agonist activity for Human PPAR gamma receptor in transcriptional activation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  389nMAssay Description:Activation of peroxisome proliferator activated receptor gamma measured by induction of 50% of maximum alkaline phosphatase activity, transfection as...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Mouse)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  13nMAssay Description:Compound was tested functionally in vitro for inducing 50% of the maximum alkaline phosphatase activity (Transactivation) against murine Peroxisome p...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataEC50:  18nMAssay Description:Ability to promote differentiation of C3H10T1/2 stem cells to adipocytes using lipogenesis assay mediated through activation of Peroxisome proliferat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataKi:  0.0497nMAssay Description:Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARgamma LBD by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/7/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataKi:  0.430nMAssay Description:Binding affinity to PPARgamma (unknown origin) by TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/21/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataKi:  1nMAssay Description:Binding affinity to PPARgamma (unknown origin) by TR-FRET-based competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/22/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataKi:  1nMAssay Description:Binding affinity to PPARgamma (unknown origin) assessed as inhibition constant by Lanthascreen TR-FRET assay relative to controlMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataKi:  2nMAssay Description:Binding affinity to PPARgamma (unknown origin) assessed as inhibition constant by Cheng-Prusoff equation analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/26/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataKi:  70nMAssay Description:Binding affinity to PPARgamma (unknown origin) by TR-FRET based LanthaScreen competitive binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/21/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataKi:  104nMAssay Description:In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor alpha(Human)
Trinity College

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataKi: <5.50E+3nMAssay Description:The compound was tested in vitro for inhibiting the 50% binding of Peroxisome proliferator activated receptor alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2014
Entry Details Article
PubMed
TargetPeroxisome proliferator-activated receptor delta(Human)
Glaxo Wellcome Research and Development

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataKi:  6.15E+3nMAssay Description:The compound was tested in vitro for inhibiting the 50% binding of Peroxisome proliferator activated receptor deltaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2014
Entry Details Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataKi:  8.84E+3nMAssay Description:Tested for its ability to bind to Peroxisome proliferator activated receptor gamma using [3H]-BRL 49653 as radioligand in scintillation proximity ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2014
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50085048((S)-2-(2-benzoylphenylamino)-3-(4-(2-(methyl(pyrid...)
Affinity DataKi:  1.13E+8nMAssay Description:Agonist activity at PPARgammaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)