Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 540.6 BDBM50063219

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 4 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 gamma (Homo sapiens (Human))	BDBM50063219 (CHEMBL3398461) Show SMILES Cc1oc(nc1CCOc1ccc(CC[C@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-30(39-22)24-8-4-2-5-9-24)18-19-38-26-16-13-23(14-17-26)12-15-25-20-34(21-28(25)31(35)36)32(37)40-27-10-6-3-7-11-27/h2-11,13-14,16-17,25,28H,12,15,18-21H2,1H3,(H,35,36)/t25-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50063219 (CHEMBL3398461) Show SMILES Cc1oc(nc1CCOc1ccc(CC[C@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-30(39-22)24-8-4-2-5-9-24)18-19-38-26-16-13-23(14-17-26)12-15-25-20-34(21-28(25)31(35)36)32(37)40-27-10-6-3-7-11-27/h2-11,13-14,16-17,25,28H,12,15,18-21H2,1H3,(H,35,36)/t25-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50063219 (CHEMBL3398461) Show SMILES Cc1oc(nc1CCOc1ccc(CC[C@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-30(39-22)24-8-4-2-5-9-24)18-19-38-26-16-13-23(14-17-26)12-15-25-20-34(21-28(25)31(35)36)32(37)40-27-10-6-3-7-11-27/h2-11,13-14,16-17,25,28H,12,15,18-21H2,1H3,(H,35,36)/t25-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	980	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Agonist activity at GAL4 tagged human PPARalpha ligand binding domain expressed in HEK293 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063219 (CHEMBL3398461) Show SMILES Cc1oc(nc1CCOc1ccc(CC[C@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C32H32N2O6/c1-22-29(33-30(39-22)24-8-4-2-5-9-24)18-19-38-26-16-13-23(14-17-26)12-15-25-20-34(21-28(25)31(35)36)32(37)40-27-10-6-3-7-11-27/h2-11,13-14,16-17,25,28H,12,15,18-21H2,1H3,(H,35,36)/t25-,28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Agonist activity at GAL4 tagged human PPARgamma ligand binding domain expressed in HEK293 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair