Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 400.4 BDBM50309074

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))	BDBM50309074 (2-(4-fluorophenyl)-11-phenyl-4,9-dioxa-3,10-diazat...) Show SMILES C\C(=N/OCCCCO\N=C(\CCC(O)=O)c1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C22H25FN2O4/c1-17(18-9-11-20(23)12-10-18)24-28-15-5-6-16-29-25-21(13-14-22(26)27)19-7-3-2-4-8-19/h2-4,7-12H,5-6,13-16H2,1H3,(H,26,27)/b24-17+,25-21-	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	1.40E+3	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human full length PPARgamma expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of beta-galactos...				Bioorg Med Chem Lett 20: 1156-61 (2010) Article DOI: 10.1016/j.bmcl.2009.12.022 BindingDB Entry DOI: 10.7270/Q20865FJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50309074 (2-(4-fluorophenyl)-11-phenyl-4,9-dioxa-3,10-diazat...) Show SMILES C\C(=N/OCCCCO\N=C(\CCC(O)=O)c1ccccc1)c1ccc(F)cc1 Show InChI InChI=1S/C22H25FN2O4/c1-17(18-9-11-20(23)12-10-18)24-28-15-5-6-16-29-25-21(13-14-22(26)27)19-7-3-2-4-8-19/h2-4,7-12H,5-6,13-16H2,1H3,(H,26,27)/b24-17+,25-21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
Zydus Research Centre Curated by ChEMBL					Assay Description Agonist activity at human full length PPARalpha expressed in human HepG2 cells cotransfected with PPRE3-TK-luc assessed as induction of beta-galactos...				Bioorg Med Chem Lett 20: 1156-61 (2010) Article DOI: 10.1016/j.bmcl.2009.12.022 BindingDB Entry DOI: 10.7270/Q20865FJ
					More data for this Ligand-Target Pair