Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 497.5 BDBM50173357

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))	BDBM50173357 (1-(4-tert-Butyl-phenyl)-5-ethoxy-3-(3-trifluoromet...) Show SMILES CCOc1ccc2n(c(C(O)=O)c(Oc3cccc(c3)C(F)(F)F)c2c1)-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C28H26F3NO4/c1-5-35-20-13-14-23-22(16-20)25(36-21-8-6-7-18(15-21)28(29,30)31)24(26(33)34)32(23)19-11-9-17(10-12-19)27(2,3)4/h6-16H,5H2,1-4H3,(H,33,34)	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	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay				Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50173357 (1-(4-tert-Butyl-phenyl)-5-ethoxy-3-(3-trifluoromet...) Show SMILES CCOc1ccc2n(c(C(O)=O)c(Oc3cccc(c3)C(F)(F)F)c2c1)-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C28H26F3NO4/c1-5-35-20-13-14-23-22(16-20)25(36-21-8-6-7-18(15-21)28(29,30)31)24(26(33)34)32(23)19-11-9-17(10-12-19)27(2,3)4/h6-16H,5H2,1-4H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against human peroxisome proliferator activated receptor alpha in SPA assay				Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50173357 (1-(4-tert-Butyl-phenyl)-5-ethoxy-3-(3-trifluoromet...) Show SMILES CCOc1ccc2n(c(C(O)=O)c(Oc3cccc(c3)C(F)(F)F)c2c1)-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C28H26F3NO4/c1-5-35-20-13-14-23-22(16-20)25(36-21-8-6-7-18(15-21)28(29,30)31)24(26(33)34)32(23)19-11-9-17(10-12-19)27(2,3)4/h6-16H,5H2,1-4H3,(H,33,34)	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	34	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Effective agonist concentration for human PPAR gamma Gal4 construct in transactivation assay				Bioorg Med Chem Lett 15: 5035-8 (2005) Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56
					More data for this Ligand-Target Pair