Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 546.0 BDBM50315309

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

Found 2 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))	BDBM50315309 ((S)-2-(4-(3-chlorophenyl)piperazin-1-yl)-3-(4-(2-(...) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](N2CCN(CC2)c2cccc(Cl)c2)C(O)=O)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H32ClN3O4/c1-22-28(33-30(39-22)24-6-3-2-4-7-24)14-19-38-27-12-10-23(11-13-27)20-29(31(36)37)35-17-15-34(16-18-35)26-9-5-8-25(32)21-26/h2-13,21,29H,14-20H2,1H3,(H,36,37)/t29-/m0/s1	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	4.52E+4	n/a	n/a	n/a	n/a
Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Agonist activity at human GAL4-tagged PPARgamma chimeric receptor expressed in HEK cells by transactivation assay				Bioorg Med Chem Lett 20: 2605-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.071 BindingDB Entry DOI: 10.7270/Q2HD7WMW
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50315309 ((S)-2-(4-(3-chlorophenyl)piperazin-1-yl)-3-(4-(2-(...) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](N2CCN(CC2)c2cccc(Cl)c2)C(O)=O)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H32ClN3O4/c1-22-28(33-30(39-22)24-6-3-2-4-7-24)14-19-38-27-12-10-23(11-13-27)20-29(31(36)37)35-17-15-34(16-18-35)26-9-5-8-25(32)21-26/h2-13,21,29H,14-20H2,1H3,(H,36,37)/t29-/m0/s1	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+5	n/a	n/a	n/a	n/a
Institute of Pharmacology and Toxicology Curated by ChEMBL					Assay Description Agonist activity at human GAL4-tagged PPARalpha chimeric receptor expressed in HEK cells by transactivation assay				Bioorg Med Chem Lett 20: 2605-8 (2010) Article DOI: 10.1016/j.bmcl.2010.02.071 BindingDB Entry DOI: 10.7270/Q2HD7WMW
					More data for this Ligand-Target Pair