Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 562.0 BDBM50418141

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 gamma (Homo sapiens (Human))	BDBM50418141 (CHEMBL1760404) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(OC)c1OC Show InChI InChI=1S/C28H32ClNO7S/c1-6-7-17-30(23-10-8-9-22(18(23)2)20-11-13-21(29)14-12-20)38(33,34)25-16-15-24(37-19(3)28(31)32)26(35-4)27(25)36-5/h8-16,19H,6-7,17H2,1-5H3,(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	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARgamma by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418141 (CHEMBL1760404) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(OC)c1OC Show InChI InChI=1S/C28H32ClNO7S/c1-6-7-17-30(23-10-8-9-22(18(23)2)20-11-13-21(29)14-12-20)38(33,34)25-16-15-24(37-19(3)28(31)32)26(35-4)27(25)36-5/h8-16,19H,6-7,17H2,1-5H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARdelta by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50418141 (CHEMBL1760404) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(OC)c1OC Show InChI InChI=1S/C28H32ClNO7S/c1-6-7-17-30(23-10-8-9-22(18(23)2)20-11-13-21(29)14-12-20)38(33,34)25-16-15-24(37-19(3)28(31)32)26(35-4)27(25)36-5/h8-16,19H,6-7,17H2,1-5H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<2.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]GW 2433 from human PPARalpha by scintillation proximity assay				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50418141 (CHEMBL1760404) Show SMILES CCCCN(c1cccc(c1C)-c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC(C)C(O)=O)c(OC)c1OC Show InChI InChI=1S/C28H32ClNO7S/c1-6-7-17-30(23-10-8-9-22(18(23)2)20-11-13-21(29)14-12-20)38(33,34)25-16-15-24(37-19(3)28(31)32)26(35-4)27(25)36-5/h8-16,19H,6-7,17H2,1-5H3,(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	<1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Partial agonist activity at human PPARdelta expressed in african green monkey CV1 cells transfected with Gal4 assessed as beta-galactosidase activity...				Bioorg Med Chem Lett 21: 2345-50 (2011) Article DOI: 10.1016/j.bmcl.2011.02.077 BindingDB Entry DOI: 10.7270/Q2M61MHT
					More data for this Ligand-Target Pair