Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 443.4 BDBM50349838

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 delta (Homo sapiens (Human))	BDBM50349838 (CHEMBL1813195) Show SMILES CCC(Cc1ccc(CCc2ccc(cc2O)N2C(=O)c3ccccc3C2=O)cc1)C(O)=O Show InChI InChI=1S/C27H25NO5/c1-2-19(27(32)33)15-18-9-7-17(8-10-18)11-12-20-13-14-21(16-24(20)29)28-25(30)22-5-3-4-6-23(22)26(28)31/h3-10,13-14,16,19,29H,2,11-12,15H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Agonist activity at PPARdelta expressed in HEK293 after 8 hrs by luciferase reporter gene assay				Bioorg Med Chem 19: 3156-72 (2011) Article DOI: 10.1016/j.bmc.2011.03.065 BindingDB Entry DOI: 10.7270/Q2K64JFX
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50349838 (CHEMBL1813195) Show SMILES CCC(Cc1ccc(CCc2ccc(cc2O)N2C(=O)c3ccccc3C2=O)cc1)C(O)=O Show InChI InChI=1S/C27H25NO5/c1-2-19(27(32)33)15-18-9-7-17(8-10-18)11-12-20-13-14-21(16-24(20)29)28-25(30)22-5-3-4-6-23(22)26(28)31/h3-10,13-14,16,19,29H,2,11-12,15H2,1H3,(H,32,33)	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	1.70E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Agonist activity at PPARgamma expressed in HEK293 after 8 hrs by luciferase reporter gene assay				Bioorg Med Chem 19: 3156-72 (2011) Article DOI: 10.1016/j.bmc.2011.03.065 BindingDB Entry DOI: 10.7270/Q2K64JFX
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50349838 (CHEMBL1813195) Show SMILES CCC(Cc1ccc(CCc2ccc(cc2O)N2C(=O)c3ccccc3C2=O)cc1)C(O)=O Show InChI InChI=1S/C27H25NO5/c1-2-19(27(32)33)15-18-9-7-17(8-10-18)11-12-20-13-14-21(16-24(20)29)28-25(30)22-5-3-4-6-23(22)26(28)31/h3-10,13-14,16,19,29H,2,11-12,15H2,1H3,(H,32,33)	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+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha expressed in HEK293 after 8 hrs by luciferase reporter gene assay				Bioorg Med Chem 19: 3156-72 (2011) Article DOI: 10.1016/j.bmc.2011.03.065 BindingDB Entry DOI: 10.7270/Q2K64JFX
					More data for this Ligand-Target Pair