Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 471.5 BDBM50145716

Wt: 471.5 BDBM50385189

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 8 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50385189 (CHEMBL2037007) Show SMILES CC[C@@](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)(Oc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C29H29NO5/c1-3-29(28(31)32,35-25-12-8-5-9-13-25)20-22-14-16-24(17-15-22)33-19-18-26-21(2)34-27(30-26)23-10-6-4-7-11-23/h4-17H,3,18-20H2,1-2H3,(H,31,32)/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Agonist activity at PPARgamma				Bioorg Med Chem 20: 3523-32 (2012) Article DOI: 10.1016/j.bmc.2012.04.005 BindingDB Entry DOI: 10.7270/Q2MP54B4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50145716 (2-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-be...) Show SMILES CCC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)(Oc1ccccc1)C(O)=O Show InChI InChI=1S/C29H29NO5/c1-3-29(28(31)32,35-25-12-8-5-9-13-25)20-22-14-16-24(17-15-22)33-19-18-26-21(2)34-27(30-26)23-10-6-4-7-11-23/h4-17H,3,18-20H2,1-2H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of PPARgamma agonist from human PPAR gamma receptor				J Med Chem 47: 2422-5 (2004) Article DOI: 10.1021/jm0342616 BindingDB Entry DOI: 10.7270/Q2TQ6100
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50145716 (2-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-be...) Show SMILES CCC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)(Oc1ccccc1)C(O)=O Show InChI InChI=1S/C29H29NO5/c1-3-29(28(31)32,35-25-12-8-5-9-13-25)20-22-14-16-24(17-15-22)33-19-18-26-21(2)34-27(30-26)23-10-6-4-7-11-23/h4-17H,3,18-20H2,1-2H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	473	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of PPARalpha/delta agonist from human Peroxisome proliferator activated receptor alpha				J Med Chem 47: 2422-5 (2004) Article DOI: 10.1021/jm0342616 BindingDB Entry DOI: 10.7270/Q2TQ6100
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50385189 (CHEMBL2037007) Show SMILES CC[C@@](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)(Oc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C29H29NO5/c1-3-29(28(31)32,35-25-12-8-5-9-13-25)20-22-14-16-24(17-15-22)33-19-18-26-21(2)34-27(30-26)23-10-6-4-7-11-23/h4-17H,3,18-20H2,1-2H3,(H,31,32)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	473	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Agonist activity at PPARalpha				Bioorg Med Chem 20: 3523-32 (2012) Article DOI: 10.1016/j.bmc.2012.04.005 BindingDB Entry DOI: 10.7270/Q2MP54B4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50385189 (CHEMBL2037007) Show SMILES CC[C@@](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)(Oc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C29H29NO5/c1-3-29(28(31)32,35-25-12-8-5-9-13-25)20-22-14-16-24(17-15-22)33-19-18-26-21(2)34-27(30-26)23-10-6-4-7-11-23/h4-17H,3,18-20H2,1-2H3,(H,31,32)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional Aut£noma de M£xico Curated by ChEMBL					Assay Description Agonist activity at PPARdelta				Bioorg Med Chem 20: 3523-32 (2012) Article DOI: 10.1016/j.bmc.2012.04.005 BindingDB Entry DOI: 10.7270/Q2MP54B4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50145716 (2-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-be...) Show SMILES CCC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)(Oc1ccccc1)C(O)=O Show InChI InChI=1S/C29H29NO5/c1-3-29(28(31)32,35-25-12-8-5-9-13-25)20-22-14-16-24(17-15-22)33-19-18-26-21(2)34-27(30-26)23-10-6-4-7-11-23/h4-17H,3,18-20H2,1-2H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Displacement of PPARalpha/delta agonist from human Peroxisome proliferator activated receptor delta				J Med Chem 47: 2422-5 (2004) Article DOI: 10.1021/jm0342616 BindingDB Entry DOI: 10.7270/Q2TQ6100
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50145716 (2-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-be...) Show SMILES CCC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)(Oc1ccccc1)C(O)=O Show InChI InChI=1S/C29H29NO5/c1-3-29(28(31)32,35-25-12-8-5-9-13-25)20-22-14-16-24(17-15-22)33-19-18-26-21(2)34-27(30-26)23-10-6-4-7-11-23/h4-17H,3,18-20H2,1-2H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	285	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Transcriptional activation of reporter assay by PPAR gamma receptor in CV-1 cells				J Med Chem 47: 2422-5 (2004) Article DOI: 10.1021/jm0342616 BindingDB Entry DOI: 10.7270/Q2TQ6100
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50145716 (2-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-be...) Show SMILES CCC(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)(Oc1ccccc1)C(O)=O Show InChI InChI=1S/C29H29NO5/c1-3-29(28(31)32,35-25-12-8-5-9-13-25)20-22-14-16-24(17-15-22)33-19-18-26-21(2)34-27(30-26)23-10-6-4-7-11-23/h4-17H,3,18-20H2,1-2H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	75	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Transcriptional activation of reporter assay by human Peroxisome proliferator activated receptor alpha in CV-1 cells				J Med Chem 47: 2422-5 (2004) Article DOI: 10.1021/jm0342616 BindingDB Entry DOI: 10.7270/Q2TQ6100
					More data for this Ligand-Target Pair