Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 491.6 BDBM50213189

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 alpha (Homo sapiens (Human))	BDBM50213189 ((2S)-2-ethoxy-3-(4-(3-(phenethylcarbamothioyloxy)-...) Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCCc2ccccc2)c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C29H33NO4S/c1-2-33-27(28(31)32)21-24-15-13-23(14-16-24)17-18-26(25-11-7-4-8-12-25)34-29(35)30-20-19-22-9-5-3-6-10-22/h3-16,26-27H,2,17-21H2,1H3,(H,30,35)(H,31,32)/t26?,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	880	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha in CV1 cells by GAL4 transactivation assay after 24 hrs				Bioorg Med Chem Lett 17: 3595-8 (2007) Article DOI: 10.1016/j.bmcl.2007.04.057 BindingDB Entry DOI: 10.7270/Q2BV7GB8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50213189 ((2S)-2-ethoxy-3-(4-(3-(phenethylcarbamothioyloxy)-...) Show SMILES CCO[C@@H](Cc1ccc(CCC(OC(=S)NCCc2ccccc2)c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C29H33NO4S/c1-2-33-27(28(31)32)21-24-15-13-23(14-16-24)17-18-26(25-11-7-4-8-12-25)34-29(35)30-20-19-22-9-5-3-6-10-22/h3-16,26-27H,2,17-21H2,1H3,(H,30,35)(H,31,32)/t26?,27-/m0/s1	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	490	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma in CV1 cells by GAL4 transactivation assay after 24 hrs				Bioorg Med Chem Lett 17: 3595-8 (2007) Article DOI: 10.1016/j.bmcl.2007.04.057 BindingDB Entry DOI: 10.7270/Q2BV7GB8
					More data for this Ligand-Target Pair