Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 522.5 BDBM50161660

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))	BDBM50161660 ((S)-3-(4-{4-[4-((S)-2-Carboxy-2-ethoxy-ethyl)-phen...) Show SMILES CCO[C@@H](Cc1ccc(OCc2ccc(COc3ccc(C[C@H](OCC)C(O)=O)cc3)cc2)cc1)C(O)=O Show InChI InChI=1S/C30H34O8/c1-3-35-27(29(31)32)17-21-9-13-25(14-10-21)37-19-23-5-7-24(8-6-23)20-38-26-15-11-22(12-16-26)18-28(30(33)34)36-4-2/h5-16,27-28H,3-4,17-20H2,1-2H3,(H,31,32)(H,33,34)/t27-,28-/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	1.50E+4	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Effective concentration for human peroxisome proliferator-activated receptor alpha				Bioorg Med Chem Lett 15: 1497-500 (2005) Article DOI: 10.1016/j.bmcl.2004.12.084 BindingDB Entry DOI: 10.7270/Q2NK3DK3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50161660 ((S)-3-(4-{4-[4-((S)-2-Carboxy-2-ethoxy-ethyl)-phen...) Show SMILES CCO[C@@H](Cc1ccc(OCc2ccc(COc3ccc(C[C@H](OCC)C(O)=O)cc3)cc2)cc1)C(O)=O Show InChI InChI=1S/C30H34O8/c1-3-35-27(29(31)32)17-21-9-13-25(14-10-21)37-19-23-5-7-24(8-6-23)20-38-26-15-11-22(12-16-26)18-28(30(33)34)36-4-2/h5-16,27-28H,3-4,17-20H2,1-2H3,(H,31,32)(H,33,34)/t27-,28-/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	1.40E+4	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Effective concentration for human peroxisome proliferator-activated receptor gamma				Bioorg Med Chem Lett 15: 1497-500 (2005) Article DOI: 10.1016/j.bmcl.2004.12.084 BindingDB Entry DOI: 10.7270/Q2NK3DK3
					More data for this Ligand-Target Pair