Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 464.4 BDBM28704

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 alpha (Homo sapiens (Human))	BDBM28704 (2-methyl-2-[4-({4-methyl-2-[4-(trifluoromethyl)phe...) Show SMILES Cc1nc(sc1C(=O)Nc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H19F3N2O4S/c1-12-17(32-19(26-12)13-4-6-14(7-5-13)22(23,24)25)18(28)27-15-8-10-16(11-9-15)31-21(2,3)20(29)30/h4-11H,1-3H3,(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a
GSK					Assay Description The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...				J Med Chem 50: 685-95 (2007) Article DOI: 10.1021/jm058056x BindingDB Entry DOI: 10.7270/Q2RN3669
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28704 (2-methyl-2-[4-({4-methyl-2-[4-(trifluoromethyl)phe...) Show SMILES Cc1nc(sc1C(=O)Nc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H19F3N2O4S/c1-12-17(32-19(26-12)13-4-6-14(7-5-13)22(23,24)25)18(28)27-15-8-10-16(11-9-15)31-21(2,3)20(29)30/h4-11H,1-3H3,(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
GSK					Assay Description The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...				J Med Chem 50: 685-95 (2007) Article DOI: 10.1021/jm058056x BindingDB Entry DOI: 10.7270/Q2RN3669
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM28704 (2-methyl-2-[4-({4-methyl-2-[4-(trifluoromethyl)phe...) Show SMILES Cc1nc(sc1C(=O)Nc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H19F3N2O4S/c1-12-17(32-19(26-12)13-4-6-14(7-5-13)22(23,24)25)18(28)27-15-8-10-16(11-9-15)31-21(2,3)20(29)30/h4-11H,1-3H3,(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
GSK					Assay Description The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ...				J Med Chem 50: 685-95 (2007) Article DOI: 10.1021/jm058056x BindingDB Entry DOI: 10.7270/Q2RN3669
					More data for this Ligand-Target Pair