Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 490.4 BDBM50361353

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))	BDBM50361353 (CHEMBL1933825) Show SMILES CC(C)CCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H29Cl2N3O4S/c1-14(2)9-10-31(28,29)25-20(27)8-7-18-12-21(30-15(3)4)24-26(18)13-16-5-6-17(22)11-19(16)23/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta expressed in COS-1 cells after 2 days by luciferase reporter gene transactivation assay				Bioorg Med Chem 20: 714-33 (2012) Article DOI: 10.1016/j.bmc.2011.12.008 BindingDB Entry DOI: 10.7270/Q2PK0GK3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50361353 (CHEMBL1933825) Show SMILES CC(C)CCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H29Cl2N3O4S/c1-14(2)9-10-31(28,29)25-20(27)8-7-18-12-21(30-15(3)4)24-26(18)13-16-5-6-17(22)11-19(16)23/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,25,27)	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	17	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at full length human PPARgamma1 transfected in human CHOK1 cells co expressing RXRalpha and PPRE after 1 day by luciferase reporter ...				Bioorg Med Chem 20: 714-33 (2012) Article DOI: 10.1016/j.bmc.2011.12.008 BindingDB Entry DOI: 10.7270/Q2PK0GK3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50361353 (CHEMBL1933825) Show SMILES CC(C)CCS(=O)(=O)NC(=O)CCc1cc(OC(C)C)nn1Cc1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H29Cl2N3O4S/c1-14(2)9-10-31(28,29)25-20(27)8-7-18-12-21(30-15(3)4)24-26(18)13-16-5-6-17(22)11-19(16)23/h5-6,11-12,14-15H,7-10,13H2,1-4H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Ltd Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha expressed in COS-1 cells after 1 day by luciferase reporter gene transactivation assay				Bioorg Med Chem 20: 714-33 (2012) Article DOI: 10.1016/j.bmc.2011.12.008 BindingDB Entry DOI: 10.7270/Q2PK0GK3
					More data for this Ligand-Target Pair