Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 517.6 BDBM50312415

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))	BDBM50312415 (2-(4-((5-(4-tert-Butylphenyl)-4-(4-methoxyphenyl)t...) Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C30H31NO5S/c1-19-16-24(14-15-25(19)36-18-27(32)33)35-17-26-31-28(20-8-12-23(34-5)13-9-20)29(37-26)21-6-10-22(11-7-21)30(2,3)4/h6-16H,17-18H2,1-5H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	720	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...				J Med Chem 53: 77-105 (2010) Article DOI: 10.1021/jm9007399 BindingDB Entry DOI: 10.7270/Q28052RP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50312415 (2-(4-((5-(4-tert-Butylphenyl)-4-(4-methoxyphenyl)t...) Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C30H31NO5S/c1-19-16-24(14-15-25(19)36-18-27(32)33)35-17-26-31-28(20-8-12-23(34-5)13-9-20)29(37-26)21-6-10-22(11-7-21)30(2,3)4/h6-16H,17-18H2,1-5H3,(H,32,33)	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	>1.00E+4	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...				J Med Chem 53: 77-105 (2010) Article DOI: 10.1021/jm9007399 BindingDB Entry DOI: 10.7270/Q28052RP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50312415 (2-(4-((5-(4-tert-Butylphenyl)-4-(4-methoxyphenyl)t...) Show SMILES COc1ccc(cc1)-c1nc(COc2ccc(OCC(O)=O)c(C)c2)sc1-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C30H31NO5S/c1-19-16-24(14-15-25(19)36-18-27(32)33)35-17-26-31-28(20-8-12-23(34-5)13-9-20)29(37-26)21-6-10-22(11-7-21)30(2,3)4/h6-16H,17-18H2,1-5H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha ligand binding domain expressed in human 293T cells cotransfected with Gal4-DBD by luciferase transactivation ass...				J Med Chem 53: 77-105 (2010) Article DOI: 10.1021/jm9007399 BindingDB Entry DOI: 10.7270/Q28052RP
					More data for this Ligand-Target Pair