Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 478.5 BDBM50063319

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))	BDBM50063319 (CHEMBL3398430) Show SMILES CCOC(=O)N1C[C@H](CC(O)=O)[C@@H](C1)c1cccc(OCCc2nc(oc2C)-c2ccccc2)c1 |r| Show InChI InChI=1S/C27H30N2O6/c1-3-33-27(32)29-16-21(15-25(30)31)23(17-29)20-10-7-11-22(14-20)34-13-12-24-18(2)35-26(28-24)19-8-5-4-6-9-19/h4-11,14,21,23H,3,12-13,15-17H2,1-2H3,(H,30,31)/t21-,23-/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	910	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))	BDBM50063319 (CHEMBL3398430) Show SMILES CCOC(=O)N1C[C@H](CC(O)=O)[C@@H](C1)c1cccc(OCCc2nc(oc2C)-c2ccccc2)c1 |r| Show InChI InChI=1S/C27H30N2O6/c1-3-33-27(32)29-16-21(15-25(30)31)23(17-29)20-10-7-11-22(14-20)34-13-12-24-18(2)35-26(28-24)19-8-5-4-6-9-19/h4-11,14,21,23H,3,12-13,15-17H2,1-2H3,(H,30,31)/t21-,23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	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))	BDBM50063319 (CHEMBL3398430) Show SMILES CCOC(=O)N1C[C@H](CC(O)=O)[C@@H](C1)c1cccc(OCCc2nc(oc2C)-c2ccccc2)c1 |r| Show InChI InChI=1S/C27H30N2O6/c1-3-33-27(32)29-16-21(15-25(30)31)23(17-29)20-10-7-11-22(14-20)34-13-12-24-18(2)35-26(28-24)19-8-5-4-6-9-19/h4-11,14,21,23H,3,12-13,15-17H2,1-2H3,(H,30,31)/t21-,23-/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	1.13E+3	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))	BDBM50063319 (CHEMBL3398430) Show SMILES CCOC(=O)N1C[C@H](CC(O)=O)[C@@H](C1)c1cccc(OCCc2nc(oc2C)-c2ccccc2)c1 |r| Show InChI InChI=1S/C27H30N2O6/c1-3-33-27(32)29-16-21(15-25(30)31)23(17-29)20-10-7-11-22(14-20)34-13-12-24-18(2)35-26(28-24)19-8-5-4-6-9-19/h4-11,14,21,23H,3,12-13,15-17H2,1-2H3,(H,30,31)/t21-,23-/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	20	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