Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 433.4 BDBM50264506

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))	BDBM50264506 ((S)-2-Ethoxy-3-(3-(5-(4-methanesulfonyloxyphenyl)-...) Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(OS(C)(=O)=O)cc1)C(O)=O |r,t:12| Show InChI InChI=1S/C21H23NO7S/c1-3-27-20(21(23)24)12-14-5-4-6-16(11-14)18-13-19(28-22-18)15-7-9-17(10-8-15)29-30(2,25)26/h4-11,19-20H,3,12-13H2,1-2H3,(H,23,24)/t19?,20-/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	3.74E+4	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...				J Med Chem 51: 6318-33 (2008) Article DOI: 10.1021/jm8003416 BindingDB Entry DOI: 10.7270/Q2SQ919V
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50264506 ((S)-2-Ethoxy-3-(3-(5-(4-methanesulfonyloxyphenyl)-...) Show SMILES CCO[C@@H](Cc1cccc(c1)C1=NOC(C1)c1ccc(OS(C)(=O)=O)cc1)C(O)=O |r,t:12| Show InChI InChI=1S/C21H23NO7S/c1-3-27-20(21(23)24)12-14-5-4-6-16(11-14)18-13-19(28-22-18)15-7-9-17(10-8-15)29-30(2,25)26/h4-11,19-20H,3,12-13H2,1-2H3,(H,23,24)/t19?,20-/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	2.81E+4	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma ligand binding domain expressed in african green monkey CV1 cells co-transfected with fused Gal4-DBD by transacti...				J Med Chem 51: 6318-33 (2008) Article DOI: 10.1021/jm8003416 BindingDB Entry DOI: 10.7270/Q2SQ919V
					More data for this Ligand-Target Pair