Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 461.5 BDBM50344338

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

Found 3 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 alpha (Homo sapiens (Human))	BDBM50344338 (CHEMBL1779479 | rac-2-(4-Methoxy-3-((4-phenethoxyb...) Show SMILES CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(OCCc3ccccc3)cc2)c1)C(O)=O Show InChI InChI=1S/C28H31NO5/c1-3-22(28(31)32)17-21-9-14-26(33-2)24(18-21)19-29-27(30)23-10-12-25(13-11-23)34-16-15-20-7-5-4-6-8-20/h4-14,18,22H,3,15-17,19H2,1-2H3,(H,29,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Agonist activity at Gal4-fussed PPARalpha expressed in human HEK293 cells by reporter gene assay				Bioorg Med Chem 19: 3183-91 (2011) Article DOI: 10.1016/j.bmc.2011.03.064 BindingDB Entry DOI: 10.7270/Q2S75GNC
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50344338 (CHEMBL1779479 | rac-2-(4-Methoxy-3-((4-phenethoxyb...) Show SMILES CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(OCCc3ccccc3)cc2)c1)C(O)=O Show InChI InChI=1S/C28H31NO5/c1-3-22(28(31)32)17-21-9-14-26(33-2)24(18-21)19-29-27(30)23-10-12-25(13-11-23)34-16-15-20-7-5-4-6-8-20/h4-14,18,22H,3,15-17,19H2,1-2H3,(H,29,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Agonist activity at Gal4-fussed PPARdelta expressed in human HEK293 cells by reporter gene assay				Bioorg Med Chem 19: 3183-91 (2011) Article DOI: 10.1016/j.bmc.2011.03.064 BindingDB Entry DOI: 10.7270/Q2S75GNC
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50344338 (CHEMBL1779479 | rac-2-(4-Methoxy-3-((4-phenethoxyb...) Show SMILES CCC(Cc1ccc(OC)c(CNC(=O)c2ccc(OCCc3ccccc3)cc2)c1)C(O)=O Show InChI InChI=1S/C28H31NO5/c1-3-22(28(31)32)17-21-9-14-26(33-2)24(18-21)19-29-27(30)23-10-12-25(13-11-23)34-16-15-20-7-5-4-6-8-20/h4-14,18,22H,3,15-17,19H2,1-2H3,(H,29,30)(H,31,32)	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	n/a	n/a	780	n/a	n/a	n/a	n/a
Okayama University Curated by ChEMBL					Assay Description Agonist activity at Gal4-fussed PPARgamma expressed in human HEK293 cells by reporter gene assay				Bioorg Med Chem 19: 3183-91 (2011) Article DOI: 10.1016/j.bmc.2011.03.064 BindingDB Entry DOI: 10.7270/Q2S75GNC
					More data for this Ligand-Target Pair