Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 463.5 BDBM50246043

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))	BDBM50246043 (2-(4-((5-(4-(allyloxy)phenyl)-1-methyl-1H-pyrazole...) Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(OCC=C)cc3)n(C)n2)ccc1OC(C)(C)C(O)=O Show InChI InChI=1S/C26H29N3O5/c1-6-13-33-20-10-8-19(9-11-20)22-15-21(28-29(22)5)24(30)27-16-18-7-12-23(17(2)14-18)34-26(3,4)25(31)32/h6-12,14-15H,1,13,16H2,2-5H3,(H,27,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	94	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha receptor by cell based transient transfection assay				Bioorg Med Chem Lett 18: 6251-4 (2008) Article DOI: 10.1016/j.bmcl.2008.09.094 BindingDB Entry DOI: 10.7270/Q20Z733H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50246043 (2-(4-((5-(4-(allyloxy)phenyl)-1-methyl-1H-pyrazole...) Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(OCC=C)cc3)n(C)n2)ccc1OC(C)(C)C(O)=O Show InChI InChI=1S/C26H29N3O5/c1-6-13-33-20-10-8-19(9-11-20)22-15-21(28-29(22)5)24(30)27-16-18-7-12-23(17(2)14-18)34-26(3,4)25(31)32/h6-12,14-15H,1,13,16H2,2-5H3,(H,27,30)(H,31,32)	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	28	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma receptor by cell based transient transfection assay				Bioorg Med Chem Lett 18: 6251-4 (2008) Article DOI: 10.1016/j.bmcl.2008.09.094 BindingDB Entry DOI: 10.7270/Q20Z733H
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50246043 (2-(4-((5-(4-(allyloxy)phenyl)-1-methyl-1H-pyrazole...) Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(OCC=C)cc3)n(C)n2)ccc1OC(C)(C)C(O)=O Show InChI InChI=1S/C26H29N3O5/c1-6-13-33-20-10-8-19(9-11-20)22-15-21(28-29(22)5)24(30)27-16-18-7-12-23(17(2)14-18)34-26(3,4)25(31)32/h6-12,14-15H,1,13,16H2,2-5H3,(H,27,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a
Centre de Recherches Curated by ChEMBL					Assay Description Agonist activity at human PPARdelta receptor by cell based transient transfection assay				Bioorg Med Chem Lett 18: 6251-4 (2008) Article DOI: 10.1016/j.bmcl.2008.09.094 BindingDB Entry DOI: 10.7270/Q20Z733H
					More data for this Ligand-Target Pair