BindingDB PrimarySearch

BDBM28706 2-methyl-2-phenoxypropanoic acid, 25a::2-methyl-2-{4-[({4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl}formamido)methyl]phenoxy}propanoic acid::CHEMBL219586

SMILES: Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=ILUPZUOBHCUBKB-UHFFFAOYSA-N

Data: 1 Kd 21 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 28706
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
GSK					Assay Description The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...				J Med Chem 50: 685-95 (2007) Article DOI: 10.1021/jm058056x BindingDB Entry DOI: 10.7270/Q2RN3669
GSK					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Binding affinity to His-tagged PPARalpha LBD (unknown origin) expressed in Escherichia coli Rosetta (DE3) at 25 degree C by isothermal titration calo...				J Med Chem 63: 2854-2876 (2020) Article DOI: 10.1021/acs.jmedchem.9b01189
University of Oklahoma Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
GSK					Assay Description The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...				J Med Chem 50: 685-95 (2007) Article DOI: 10.1021/jm058056x BindingDB Entry DOI: 10.7270/Q2RN3669
GSK					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Mus musculus)	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Agonist activity at mouse PPARalpha assessed as receptor activation by cell based assay				Bioorg Med Chem Lett 18: 710-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.053 BindingDB Entry DOI: 10.7270/Q2542NBN
Centre de Recherches Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta assessed as receptor activation by cell based assay				Bioorg Med Chem Lett 18: 710-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.053 BindingDB Entry DOI: 10.7270/Q2542NBN
Centre de Recherches Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Mus musculus)	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Agonist activity at mouse PPARdelta assessed as receptor activation by cell based assay				Bioorg Med Chem Lett 18: 710-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.053 BindingDB Entry DOI: 10.7270/Q2542NBN
Centre de Recherches Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma assessed as receptor activation by cell based assay				Bioorg Med Chem Lett 18: 710-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.053 BindingDB Entry DOI: 10.7270/Q2542NBN
Centre de Recherches Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha assessed as receptor activation by cell based assay				Bioorg Med Chem Lett 18: 710-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.053 BindingDB Entry DOI: 10.7270/Q2542NBN
Centre de Recherches Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9.70E+3	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Agonist activity at mouse PPARgamma assessed as receptor activation by cell based assay				Bioorg Med Chem Lett 18: 710-5 (2008) Article DOI: 10.1016/j.bmcl.2007.11.053 BindingDB Entry DOI: 10.7270/Q2542NBN
Centre de Recherches Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha receptor by cell based transient transfection assay				Bioorg Med Chem Lett 18: 6251-4 (2008) Article DOI: 10.1016/j.bmcl.2008.09.094 BindingDB Entry DOI: 10.7270/Q20Z733H
Centre de Recherches Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.83E+3	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta receptor by cell based transient transfection assay				Bioorg Med Chem Lett 18: 6251-4 (2008) Article DOI: 10.1016/j.bmcl.2008.09.094 BindingDB Entry DOI: 10.7270/Q20Z733H
Centre de Recherches Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	9.71E+3	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma receptor by cell based transient transfection assay				Bioorg Med Chem Lett 18: 6251-4 (2008) Article DOI: 10.1016/j.bmcl.2008.09.094 BindingDB Entry DOI: 10.7270/Q20Z733H
Centre de Recherches Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
Nippon Chemiphar Co Ltd Curated by ChEMBL					Assay Description Transactivation of GAL4-fused human PPARdelta DNA binding domain expressed in african green monkey CV1 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 21: 240-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.030 BindingDB Entry DOI: 10.7270/Q2862GQ4
Nippon Chemiphar Co Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Nippon Chemiphar Co Ltd Curated by ChEMBL					Assay Description Transactivation of GAL4-fused human PPARalpha DNA binding domain expressed in african green monkey CV1 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 21: 240-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.030 BindingDB Entry DOI: 10.7270/Q2862GQ4
Nippon Chemiphar Co Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Nippon Chemiphar Co Ltd Curated by ChEMBL					Assay Description Transactivation of GAL4-fused human PPARgamma DNA binding domain expressed in african green monkey CV1 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 21: 240-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.030 BindingDB Entry DOI: 10.7270/Q2862GQ4
Nippon Chemiphar Co Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
Nippon Chemiphar Co. Ltd Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha-LBD expressed in CV1 cells cotransfected with Gal4 after 40 hrs by luciferase based transactivation assay				Bioorg Med Chem 19: 3255-64 (2011) Article DOI: 10.1016/j.bmc.2011.03.053 BindingDB Entry DOI: 10.7270/Q2DZ08NT
Nippon Chemiphar Co. Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Nippon Chemiphar Co. Ltd Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma-LBD expressed in CV1 cells cotransfected with Gal4 after 40 hrs by luciferase based transactivation assay				Bioorg Med Chem 19: 3255-64 (2011) Article DOI: 10.1016/j.bmc.2011.03.053 BindingDB Entry DOI: 10.7270/Q2DZ08NT
Nippon Chemiphar Co. Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a
Nippon Chemiphar Co. Ltd Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta-LBD expressed in CV1 cells cotransfected with Gal4 after 40 hrs by luciferase based transactivation assay				Bioorg Med Chem 19: 3255-64 (2011) Article DOI: 10.1016/j.bmc.2011.03.053 BindingDB Entry DOI: 10.7270/Q2DZ08NT
Nippon Chemiphar Co. Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	n/a
Universit£ Lille-Nord de France Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha				J Med Chem 55: 4027-61 (2012) Article DOI: 10.1021/jm101360s BindingDB Entry DOI: 10.7270/Q2ST7QW1
Universit£ Lille-Nord de France Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha after 22 to 24 hrs by luciferase reporter gene assay				Bioorg Med Chem Lett 28: 2717-2722 (2018) Article DOI: 10.1016/j.bmcl.2018.03.010 BindingDB Entry DOI: 10.7270/Q24F1TCK
University of Oklahoma Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha expressed in nonhuman mammalian cells assessed as increase in receptor transcriptional activity incubated for 22 ...				J Med Chem 63: 2854-2876 (2020) Article DOI: 10.1021/acs.jmedchem.9b01189
University of Oklahoma Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM28706 (2-methyl-2-phenoxypropanoic acid, 25a \| 2-methyl-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.83E+3	n/a	n/a	n/a	n/a
GSK					Assay Description The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...				J Med Chem 50: 685-95 (2007) Article DOI: 10.1021/jm058056x BindingDB Entry DOI: 10.7270/Q2RN3669
GSK					More data for this Ligand-Target Pair