Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 539.6 BDBM50245991

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))	BDBM50245991 (2-(4-((1-benzyl-5-(4-tert-butylphenyl)-1H-pyrazole...) Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(Cc3ccccc3)n2)ccc1OC(C)(C)C(O)=O Show InChI InChI=1S/C33H37N3O4/c1-22-18-24(12-17-29(22)40-33(5,6)31(38)39)20-34-30(37)27-19-28(25-13-15-26(16-14-25)32(2,3)4)36(35-27)21-23-10-8-7-9-11-23/h7-19H,20-21H2,1-6H3,(H,34,37)(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	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))	BDBM50245991 (2-(4-((1-benzyl-5-(4-tert-butylphenyl)-1H-pyrazole...) Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(Cc3ccccc3)n2)ccc1OC(C)(C)C(O)=O Show InChI InChI=1S/C33H37N3O4/c1-22-18-24(12-17-29(22)40-33(5,6)31(38)39)20-34-30(37)27-19-28(25-13-15-26(16-14-25)32(2,3)4)36(35-27)21-23-10-8-7-9-11-23/h7-19H,20-21H2,1-6H3,(H,34,37)(H,38,39)	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	1.70E+3	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))	BDBM50245991 (2-(4-((1-benzyl-5-(4-tert-butylphenyl)-1H-pyrazole...) Show SMILES Cc1cc(CNC(=O)c2cc(-c3ccc(cc3)C(C)(C)C)n(Cc3ccccc3)n2)ccc1OC(C)(C)C(O)=O Show InChI InChI=1S/C33H37N3O4/c1-22-18-24(12-17-29(22)40-33(5,6)31(38)39)20-34-30(37)27-19-28(25-13-15-26(16-14-25)32(2,3)4)36(35-27)21-23-10-8-7-9-11-23/h7-19H,20-21H2,1-6H3,(H,34,37)(H,38,39)	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