BindingDB PrimarySearch

null

SMILES: CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O

InChI Key: InChIKey=MQOBSOSZFYZQOK-UHFFFAOYSA-N

PDB links: 4 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 70 hits for monomerid = 28700
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
Fatty acid-binding protein, liver (Rattus norvegicus (Rat))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to rat recombinant L-FABP high affinity site expressed in Escherichia coli BL21(DE3) at 37 deg C by fluorimetric assay				J Med Chem 52: 5344-55 (2009) Article DOI: 10.1021/jm801349e BindingDB Entry DOI: 10.7270/Q2P84BXB
Monash University Curated by ChEMBL					More data for this Ligand-Target Pair
Fatty acid-binding protein, liver (Rattus norvegicus (Rat))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 37 deg C by fluorimetric assay				J Med Chem 52: 5344-55 (2009) Article DOI: 10.1021/jm801349e BindingDB Entry DOI: 10.7270/Q2P84BXB
Monash University Curated by ChEMBL					More data for this Ligand-Target Pair
Fatty acid-binding protein, liver (Rattus norvegicus (Rat))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Binding affinity to rat recombinant L-FABP low affinity site expressed in Escherichia coli BL21(DE3) at 42 deg C by fluorimetric assay				J Med Chem 52: 5344-55 (2009) Article DOI: 10.1021/jm801349e BindingDB Entry DOI: 10.7270/Q2P84BXB
Monash University Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARgamma ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...				J Med Chem 52: 6382-93 (2009) Article DOI: 10.1021/jm900941b BindingDB Entry DOI: 10.7270/Q2862GHF
Universit£ degli Studi di Bari Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari Curated by ChEMBL					Assay Description Agonist activity at GAL4-tagged human PPARalpha ligand binding domain expressed in human HepG2 cells assessed as receptor transactivation by lucifera...				J Med Chem 52: 6382-93 (2009) Article DOI: 10.1021/jm900941b BindingDB Entry DOI: 10.7270/Q2862GHF
Universit£ degli Studi di Bari Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co, Ltd Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha ligand binding domain expressed in COS-1 cells cotransfected with Gal4 by luciferase reporter gene assay				Bioorg Med Chem Lett 21: 220-4 (2010) Article DOI: 10.1016/j.bmcl.2010.11.032 BindingDB Entry DOI: 10.7270/Q2668DGT
Dainippon Sumitomo Pharma Co, Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a
Dainippon Sumitomo Pharma Co, Ltd Curated by ChEMBL					Assay Description Partial agonist activity at human PPARalpha expressed in CHO cells cotransfected with Gal4-responsive luciferase reporter plasmid after 24 hrs by tra...				Bioorg Med Chem Lett 21: 1978-82 (2011) Article DOI: 10.1016/j.bmcl.2011.02.032 BindingDB Entry DOI: 10.7270/Q2PC32N3
Dainippon Sumitomo Pharma Co, Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Binding affinity to histidine-tagged human PPARalpha-LBD assessed as recruitment of co-activator peptide fluorescein-labeled PGC1alpha after 2 hrs by...				Bioorg Med Chem Lett 21: 5876-80 (2011) Article DOI: 10.1016/j.bmcl.2011.07.095 BindingDB Entry DOI: 10.7270/Q2TD9XRN
Korea University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	9.20E+3	n/a	n/a	n/a	n/a
University of Tokyo Curated by ChEMBL					Assay Description Agonist activity at human recombinant PPARalpha by transactivation of TK-MH100x4-LUC reporter gene in HEK293 cells				Bioorg Med Chem Lett 16: 3213-8 (2006) Article DOI: 10.1016/j.bmcl.2006.03.075 BindingDB Entry DOI: 10.7270/Q2KD1ZPZ
University of Tokyo Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Nippon Shinyaku Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta expressed in monkey CV1 cells by transactivation assay				Bioorg Med Chem Lett 18: 2128-32 (2008) Article DOI: 10.1016/j.bmcl.2008.01.086 BindingDB Entry DOI: 10.7270/Q2K0755V
Nippon Shinyaku Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
Nippon Shinyaku Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha expressed in monkey CV1 cells by transactivation assay				Bioorg Med Chem Lett 18: 2128-32 (2008) Article DOI: 10.1016/j.bmcl.2008.01.086 BindingDB Entry DOI: 10.7270/Q2K0755V
Nippon Shinyaku Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Nippon Shinyaku Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma expressed in monkey CV1 cells by transactivation assay				Bioorg Med Chem Lett 18: 2128-32 (2008) Article DOI: 10.1016/j.bmcl.2008.01.086 BindingDB Entry DOI: 10.7270/Q2K0755V
Nippon Shinyaku Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of tritium labeled ligand from human PPARalpha by SPA assay				Bioorg Med Chem Lett 16: 6293-7 (2006) Article DOI: 10.1016/j.bmcl.2006.09.028 BindingDB Entry DOI: 10.7270/Q23R0TNK
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of tritium labeled ligand from human PPARalpha by SPA assay				Bioorg Med Chem Lett 16: 6293-7 (2006) Article DOI: 10.1016/j.bmcl.2006.09.028 BindingDB Entry DOI: 10.7270/Q23R0TNK
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of tritium labeled ligand from human PPARgamma by SPA assay				Bioorg Med Chem Lett 16: 6293-7 (2006) Article DOI: 10.1016/j.bmcl.2006.09.028 BindingDB Entry DOI: 10.7270/Q23R0TNK
Lilly Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Nippon Shinyaku Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha expressed in CV1 cells by transactivation assay				Bioorg Med Chem 16: 981-94 (2008) Article DOI: 10.1016/j.bmc.2007.10.007 BindingDB Entry DOI: 10.7270/Q2862H95
Nippon Shinyaku Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a
Nippon Shinyaku Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma expressed in CV1 cells by transactivation assay				Bioorg Med Chem 16: 981-94 (2008) Article DOI: 10.1016/j.bmc.2007.10.007 BindingDB Entry DOI: 10.7270/Q2862H95
Nippon Shinyaku Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Nippon Shinyaku Co., Ltd Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta expressed in CV1 cells by transactivation assay				Bioorg Med Chem 16: 981-94 (2008) Article DOI: 10.1016/j.bmc.2007.10.007 BindingDB Entry DOI: 10.7270/Q2862H95
Nippon Shinyaku Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at PPARgamma (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG
Terns Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM28700 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropionic a...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
Terns Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at PPARalpha (unknown origin)				J Med Chem 63: 5031-5073 (2020) Article DOI: 10.1021/acs.jmedchem.9b01701 BindingDB Entry DOI: 10.7270/Q2DJ5JXG
Terns Pharmaceuticals Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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