Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 499.6 BDBM50109200

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))	BDBM50109200 (CHEMBL3601089) Show SMILES CCCCCNC(=O)c1ccc(NC(=O)c2cccc(CN3[C@H](Cc4ccccc4)COC3=O)c2)cc1 |r| Show InChI InChI=1S/C30H33N3O4/c1-2-3-7-17-31-28(34)24-13-15-26(16-14-24)32-29(35)25-12-8-11-23(18-25)20-33-27(21-37-30(33)36)19-22-9-5-4-6-10-22/h4-6,8-16,18,27H,2-3,7,17,19-21H2,1H3,(H,31,34)(H,32,35)/t27-/m1/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	1.62E+3	n/a	n/a	n/a	n/a
IQM-CSIC Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma transfected in human MCF7 cells after 16 hrs by luciferase reporter gene assay				J Med Chem 58: 6639-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00849 BindingDB Entry DOI: 10.7270/Q29025KV
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50109200 (CHEMBL3601089) Show SMILES CCCCCNC(=O)c1ccc(NC(=O)c2cccc(CN3[C@H](Cc4ccccc4)COC3=O)c2)cc1 |r| Show InChI InChI=1S/C30H33N3O4/c1-2-3-7-17-31-28(34)24-13-15-26(16-14-24)32-29(35)25-12-8-11-23(18-25)20-33-27(21-37-30(33)36)19-22-9-5-4-6-10-22/h4-6,8-16,18,27H,2-3,7,17,19-21H2,1H3,(H,31,34)(H,32,35)/t27-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	821	n/a	n/a	n/a	n/a
IQM-CSIC Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha transfected in human MCF7 cells after 16 hrs by luciferase reporter gene assay				J Med Chem 58: 6639-52 (2015) Article DOI: 10.1021/acs.jmedchem.5b00849 BindingDB Entry DOI: 10.7270/Q29025KV
					More data for this Ligand-Target Pair