Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 484.4 BDBM50173361

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))	BDBM50173361 (1-(4-tert-Butyl-phenyl)-6-methoxy-3-(3-trifluorome...) Show SMILES COc1ccc2c(Oc3cccc(c3)C(F)(F)F)c(C(O)=O)n(-c3ccc(cc3)C(C)(C)C)c2n1 Show InChI InChI=1S/C26H23F3N2O4/c1-25(2,3)15-8-10-17(11-9-15)31-21(24(32)33)22(19-12-13-20(34-4)30-23(19)31)35-18-7-5-6-16(14-18)26(27,28)29/h5-14H,1-4H3,(H,32,33)	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	100	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))	BDBM50173361 (1-(4-tert-Butyl-phenyl)-6-methoxy-3-(3-trifluorome...) Show SMILES COc1ccc2c(Oc3cccc(c3)C(F)(F)F)c(C(O)=O)n(-c3ccc(cc3)C(C)(C)C)c2n1 Show InChI InChI=1S/C26H23F3N2O4/c1-25(2,3)15-8-10-17(11-9-15)31-21(24(32)33)22(19-12-13-20(34-4)30-23(19)31)35-18-7-5-6-16(14-18)26(27,28)29/h5-14H,1-4H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	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))	BDBM50173361 (1-(4-tert-Butyl-phenyl)-6-methoxy-3-(3-trifluorome...) Show SMILES COc1ccc2c(Oc3cccc(c3)C(F)(F)F)c(C(O)=O)n(-c3ccc(cc3)C(C)(C)C)c2n1 Show InChI InChI=1S/C26H23F3N2O4/c1-25(2,3)15-8-10-17(11-9-15)31-21(24(32)33)22(19-12-13-20(34-4)30-23(19)31)35-18-7-5-6-16(14-18)26(27,28)29/h5-14H,1-4H3,(H,32,33)	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	299	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