BDBM24566 2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidin-2-yl}sulfanyl)acetic acid::CHEMBL295416::JMC515449 Compound 1::Pirinixic acid::Wyeth 14,643

SMILES Cc1cccc(c1C)Nc2cc(nc(n2)SCC(=O)O)Cl

InChI Key InChIKey=SZRPDCCEHVWOJX-UHFFFAOYSA-N

Data  3 KI  10 IC50  6 Kd  64 EC50  2 Koff  1 Other

PDB links: 7 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 89 hits for monomerid = 24566   

LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  1.30nMAssay Description:Agonist activity at GAL4-tagged human PPARalpha transfected in African green monkey COS7 cells assessed as transcriptional activation by measuring ef...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
TargetProstaglandin G/H synthase 1(Sheep)
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataIC50: 10nMAssay Description:Inhibition of ovine COX1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
TargetProstaglandin G/H synthase 2(Human)
Eberhard Karls University Tuebingen

Curated by ChEMBL
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataIC50: 10nMAssay Description:Inhibition of human recombinant COX2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataKd:  19nMAssay Description:Binding affinity to PPARalpha (unknown origin) assessed as thermodynamic dissociation constant by SPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  40nMAssay Description:Effective concentration against murine PPARalpha in transactivation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  40nMAssay Description:The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataKi:  100nMAssay Description:Binding affinity towards peroxisome proliferator activated receptor alpha (murinePPAR alpha)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/8/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  130nMAssay Description:Transactivation of human PPARalpha expressed in african green monkey CV1 cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  542nMAssay Description:Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 6 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  630nMAssay Description:Agonist activity for murine PPAR alpha 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)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  630nMAssay Description:Agonist activity at mouse PPARalphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  650nMAssay Description:Agonist activity at human PPARalpha expressed in MCF7 cells co-transfected CPTI DR1-type RE after 16 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  700nMAssay Description:Agonist activity at PPARalpha assessed as receptor transactivation by reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  740nMAssay Description:Activation of human PPARalpha by GST pull down assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinoic acid receptor RXR-alpha(Human)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataKd:  1.28E+3nMAssay Description:Binding affinity to recombinant RXRalpha (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetRetinoic acid receptor RXR-alpha(Human)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataKd:  1.28E+3nMAssay Description:Binding affinity to recombinant RXRalpha (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetPeroxisome proliferator-activated receptor gamma(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataKd:  1.30E+3nMAssay Description:Binding affinity to PPARgamma (unknown origin) assessed as thermodynamic dissociation constant by SPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataKd:  1.34E+3nMAssay Description:Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor gamma(Human)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataKd:  1.34E+3nMAssay Description:Binding affinity to recombinant PPARgamma (unknown origin) by isothermal titration calorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetPeroxisome proliferator-activated receptor delta(Human)
Research Institute of Tsinghua University

Curated by ChEMBL
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  1.46E+3nMAssay Description:In vitro transcription activation on human peroxisome proliferator activated receptor-delta (PPAR delta)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  1.56E+3nMAssay Description:Agonist activity at yeast Gal4-fused human PPARalpha LBD transfected in human HepG2 cells assessed as transactivation by measuring beta-galactosidase...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  1.56E+3nMAssay Description:Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  1.56E+3nMAssay Description:Partial agonist activity at N-terminal Gal4-fused human PPARalpha LBD transfected in human HepG2 cells assessed as receptor transactivation incubated...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  1.56E+3nMAssay Description:Transactivation of GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  1.56E+3nMAssay Description:Agonist activity at human GAL4-PPARalpha ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/17/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  1.60E+3nMAssay Description:Transactivation of GAL4-fused human PPARalpa LBD expressed in human HepG2 cells after 20 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/12/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  1.60E+3nMAssay Description:Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/29/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  1.60E+3nMAssay Description:Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in HepG2 cells assessed as transactivation after 20 hrs by beta-galac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/23/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  1.60E+3nMAssay Description:Effective concentration against human PPARalpha expressed in HepG2 cellsMore 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)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  1.60E+3nMAssay Description:Agonist activity at human PPARgamma ligand binding domain expressed in human HepG2 cells co-transfected with Gal4 by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  1.60E+3nMAssay Description:Agonist activity at human GAL4-fused PPARalpha ligand binding domain expressed in HepG2 cells after 20 hrs by luciferase reporter gene transactivatio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  1.62E+3nMAssay Description:The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/7/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  1.62E+3nMAssay Description:Agonist activity at GAL4-DNA binding domain fused human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transacti...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/7/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  2.10E+3nMAssay Description:In vitro transactivation of rat Peroxisome proliferator activated receptor alphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  3.00E+3nMAssay Description:Agonist activity at human PPARalpha expressed in African green monkey COS7 cells assessed as increase in receptor transcriptional activity by lucifer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  3.46E+3nMAssay Description:Agonist activity at GAL4-fused PPARalpha (unknown origin) expressed in human HepG2 cells by transactivation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataKi:  4.13E+3nMAssay Description:Binding affinity to PPARalpha (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)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  4.19E+3nMAssay Description:Agonist activity at GAL4-tagged human PPARalpha transfected in african green monkey COS7 cells assessed transcriptional activation incubated for 24 h...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details PDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataKi:  4.50E+3nMAssay Description:Binding affinity to human recombinant PPARalpha by Cheng-Prusoff equation based competitive binding TR-FRET assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  4.80E+3nMAssay Description:Transactivation of human PPARalpha expressed in human HepG2 cells co-transfected with PPRE3-TK-Luc by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  4.80E+3nMAssay Description:Agonist activity at PPARalpha expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assay relative to con...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  5.00E+3nMAssay Description:Agonist activity at human PPARalphaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/23/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  5.00E+3nMAssay Description:Agonist activity for Human PPAR alpha 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)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  7.10E+3nMAssay Description:Agonist activity at GAL4-fused PPARalpha A454M mutant (unknown origin) expressed in human HepG2 cells by transactivation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetRetinoic acid receptor RXR-alpha(Human)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  9.10E+3nMAssay Description:Activation of human Gal4-fused RXRalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
TargetRetinoic acid receptor RXR-alpha(Human)
Goethe University Frankfurt

Curated by ChEMBL
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  9.10E+3nMAssay Description:Activation of human Gal4-fused RXRalpha LBD transfected in HEK293T after 14 to 16 hrs by dual-glo luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2021
Entry Details Article
PubMed
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50:  1.00E+4nMAssay Description:Transactivation of human Gal4-fused PPARalpha LBD expressed in African green monkey COS7 cells after 24 hrs by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/2/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50: >1.00E+4nMAssay Description:In vitro effective concentration against human peroxisome proliferator activated receptor alpha/Gal4 in transactivation 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)
University of Bari Aldo Moro

Curated by ChEMBL
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataEC50: >1.00E+4nMAssay Description:In vitro effective concentration against human peroxisome proliferator activated receptor gamma/Gal4 in cell-based transactivation assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
LigandPNGBDBM24566(JMC515449 Compound 1 | Wyeth 14,643 | 2-({4-chloro...)
Affinity DataIC50: 1.01E+4nMAssay Description:Binding affinity to GST-tagged human PPARalpha by TR-FRET analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
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