Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 561.4 BDBM50227673

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit 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 (Rattus norvegicus)	BDBM50227673 (2-(2-(3-(2-bromo-4-(trifluoromethoxy)phenyl)-1-eth...) Show SMILES CCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(OC(F)(F)F)cc1Br |w:3.2| Show InChI InChI=1S/C23H24BrF3N2O4S/c1-4-29(21(32)28-19-8-6-16(12-18(19)24)33-23(25,26)27)15-9-13-5-7-17(11-14(13)10-15)34-22(2,3)20(30)31/h5-8,11-12,15H,4,9-10H2,1-3H3,(H,28,32)(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a
Johnson& Johnson Curated by ChEMBL					Assay Description Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction				Bioorg Med Chem Lett 17: 6773-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.041 BindingDB Entry DOI: 10.7270/Q27945H6
					More data for this Ligand-Target Pair