Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 502.5 BDBM50376414

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

Found 4 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))	BDBM50376414 (CHEMBL254989) Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(O)cc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N2O7/c1-19-25(29-27(36-19)21-5-3-2-4-6-21)15-16-35-23-11-7-20(8-12-23)17-30(18-26(32)33)28(34)37-24-13-9-22(31)10-14-24/h2-14,31H,15-18H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity at PPAR alpha receptor				Drug Metab Dispos 35: 150-67 (2006) Article DOI: 10.1124/dmd.106.012450 BindingDB Entry DOI: 10.7270/Q2JS9R92
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50376414 (CHEMBL254989) Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(O)cc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N2O7/c1-19-25(29-27(36-19)21-5-3-2-4-6-21)15-16-35-23-11-7-20(8-12-23)17-30(18-26(32)33)28(34)37-24-13-9-22(31)10-14-24/h2-14,31H,15-18H2,1H3,(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	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity at PPAR gamma receptor				Drug Metab Dispos 35: 150-67 (2006) Article DOI: 10.1124/dmd.106.012450 BindingDB Entry DOI: 10.7270/Q2JS9R92
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50376414 (CHEMBL254989) Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(O)cc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N2O7/c1-19-25(29-27(36-19)21-5-3-2-4-6-21)15-16-35-23-11-7-20(8-12-23)17-30(18-26(32)33)28(34)37-24-13-9-22(31)10-14-24/h2-14,31H,15-18H2,1H3,(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	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at PPAR gamma in human HEK cells by transactivation assay				Drug Metab Dispos 35: 150-67 (2006) Article DOI: 10.1124/dmd.106.012450 BindingDB Entry DOI: 10.7270/Q2JS9R92
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50376414 (CHEMBL254989) Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(O)cc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N2O7/c1-19-25(29-27(36-19)21-5-3-2-4-6-21)15-16-35-23-11-7-20(8-12-23)17-30(18-26(32)33)28(34)37-24-13-9-22(31)10-14-24/h2-14,31H,15-18H2,1H3,(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	6.89E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Agonist activity at PPAR alpha in human HEK cells by transactivation assay				Drug Metab Dispos 35: 150-67 (2006) Article DOI: 10.1124/dmd.106.012450 BindingDB Entry DOI: 10.7270/Q2JS9R92
					More data for this Ligand-Target Pair