Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 377.8 BDBM50244361

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 gamma (Homo sapiens (Human))	BDBM50244361 (CHEMBL4094877) Show SMILES OC(=O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H16ClNO4S/c19-14-9-10-17-13(11-14)12-15(5-4-8-18(21)22)20(17)25(23,24)16-6-2-1-3-7-16/h1-3,6-7,9-12H,4-5,8H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	284	n/a	n/a	n/a	n/a
Inventiva Curated by ChEMBL					Assay Description Transactivation of human GAL4-fused PPARgamma LBD expressed in African green monkey COS7 cells co-expressing 5Gal4 pGL3 TK Luc after overnight incuba...				J Med Chem 61: 2246-2265 (2018) Article DOI: 10.1021/acs.jmedchem.7b01285 BindingDB Entry DOI: 10.7270/Q2MS3W58
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50244361 (CHEMBL4094877) Show SMILES OC(=O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H16ClNO4S/c19-14-9-10-17-13(11-14)12-15(5-4-8-18(21)22)20(17)25(23,24)16-6-2-1-3-7-16/h1-3,6-7,9-12H,4-5,8H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	645	n/a	n/a	n/a	n/a
Inventiva Curated by ChEMBL					Assay Description Transactivation of human GAL4-fused PPARdelta LBD expressed in African green monkey COS7 cells co-expressing 5Gal4 pGL3 TK Luc after overnight incuba...				J Med Chem 61: 2246-2265 (2018) Article DOI: 10.1021/acs.jmedchem.7b01285 BindingDB Entry DOI: 10.7270/Q2MS3W58
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50244361 (CHEMBL4094877) Show SMILES OC(=O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H16ClNO4S/c19-14-9-10-17-13(11-14)12-15(5-4-8-18(21)22)20(17)25(23,24)16-6-2-1-3-7-16/h1-3,6-7,9-12H,4-5,8H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	956	n/a	n/a	n/a	n/a
Inventiva Curated by ChEMBL					Assay Description Transactivation of human GAL4-fused PPARalpha LBD expressed in African green monkey COS7 cells co-expressing 5Gal4 pGL3 TK Luc after overnight incuba...				J Med Chem 61: 2246-2265 (2018) Article DOI: 10.1021/acs.jmedchem.7b01285 BindingDB Entry DOI: 10.7270/Q2MS3W58
					More data for this Ligand-Target Pair