BindingDB PrimarySearch

BDBM50127222 CHEMBL38508::GW-0742::{4-[2-(3-Fluoro-4-trifluoromethyl-phenyl)-4-methyl-thiazol-5-ylmethylsulfanyl]-2-methyl-phenoxy}-acetic acid

SMILES: Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F

InChI Key: InChIKey=HWVNEWGKWRGSRK-UHFFFAOYSA-N

Data: 2 IC50 1 Kd 15 EC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50127222
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 delta (Homo sapiens (Human))	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Maximum transcriptional activation of human PPAR delta receptor				Bioorg Med Chem Lett 13: 1517-21 (2003) BindingDB Entry DOI: 10.7270/Q2VQ322G
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1ab (2019-nCoV)	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
TBA					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Mus musculus)	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	30	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activity against murine PPAR delta receptor				Bioorg Med Chem Lett 13: 1517-21 (2003) BindingDB Entry DOI: 10.7270/Q2VQ322G
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Maximum transcriptional activation of human PPAR alpha receptor				Bioorg Med Chem Lett 13: 1517-21 (2003) BindingDB Entry DOI: 10.7270/Q2VQ322G
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Mus musculus)	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activity against murine PPAR alpha receptor				Bioorg Med Chem Lett 13: 1517-21 (2003) BindingDB Entry DOI: 10.7270/Q2VQ322G
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Activity against murine PPAR gamma receptor				Bioorg Med Chem Lett 13: 1517-21 (2003) BindingDB Entry DOI: 10.7270/Q2VQ322G
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Maximum transcriptional activation of human PPAR gamma receptor				Bioorg Med Chem Lett 13: 1517-21 (2003) BindingDB Entry DOI: 10.7270/Q2VQ322G
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	n/a	n/a	67	n/a	n/a	n/a	n/a
Korea University Curated by ChEMBL					Assay Description Activation of PPARbeta-LBD (unknown origin) assessed as fluorescein-labeled coactivator C33 recruitment by TR-FRET assay				Bioorg Med Chem Lett 26: 3978-83 (2016) BindingDB Entry DOI: 10.7270/Q2WW7KMD
Korea University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a
Helmholtz Centre for Infection Research Curated by ChEMBL					Assay Description Binding affinity to human PPARdelta (unknown origin) by competitive TR-FRET assay				J Med Chem 56: 1535-43 (2013) Article DOI: 10.1021/jm3013272 BindingDB Entry DOI: 10.7270/Q2R49S4J
Helmholtz Centre for Infection Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha (PPAR alpha) (Homo sapiens (Human))	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	920	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of pan-PPAR fluormone from PPARalpha LBD by TR-FRET based LanthaScreen assay				J Med Chem 55: 4978-89 (2012) Article DOI: 10.1021/jm300068n BindingDB Entry DOI: 10.7270/Q2ZP4769
Trinity College Curated by ChEMBL					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.90	n/a	n/a	n/a	n/a
Trinity College Curated by ChEMBL					Assay Description Displacement of pan-PPAR fluormone from PPARdelta LBD by TR-FRET based LanthaScreen assay				J Med Chem 55: 4978-89 (2012) Article DOI: 10.1021/jm300068n BindingDB Entry DOI: 10.7270/Q2ZP4769
Trinity College Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta LBD by cell based luciferase reporter gene assay				J Med Chem 54: 788-808 (2012) Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta 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))	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Guangdong Pharmaceutical University Curated by ChEMBL					Assay Description Agonist activity at PPARdelta (unknown origin)				Eur J Med Chem 159: 267-276 (2018) Article DOI: 10.1016/j.ejmech.2018.09.071 BindingDB Entry DOI: 10.7270/Q27D2XTM
Guangdong Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Guangdong Pharmaceutical University Curated by ChEMBL					Assay Description Agonist activity at human GAL4 fused PPARdelta-LBD expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay				Eur J Med Chem 159: 267-276 (2018) Article DOI: 10.1016/j.ejmech.2018.09.071 BindingDB Entry DOI: 10.7270/Q27D2XTM
Guangdong Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Replicase polyprotein 1ab (2019-nCoV)	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health					Assay Description The 3CLpro enzyme assay was developed in 384-well black, medium binding microplates (Greiner Bio-One, Monroe, NC, USA) with a total volume of 20 _...				bioRxiv (2020) Article DOI: 10.1101/2020.07.17.207019 BindingDB Entry DOI: 10.7270/Q20G3NJM
National Institutes of Health					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.90	n/a	n/a	n/a	n/a
University of Oklahoma Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta 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 (Homo sapiens (Human))	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Guangdong Pharmaceutical University Curated by ChEMBL					Assay Description Transactivation of GAL4-fused human PPARdelta LBD expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay				Eur J Med Chem 164: 352-365 (2019) Article DOI: 10.1016/j.ejmech.2018.12.069
Guangdong Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50127222 (CHEMBL38508 \| GW-0742 \| {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human PPAR delta receptor				Bioorg Med Chem Lett 13: 1517-21 (2003) BindingDB Entry DOI: 10.7270/Q2VQ322G
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)