Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 526.5 BDBM50063308

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))	BDBM50063308 (CHEMBL3398435) Show SMILES Cc1oc(nc1CCOc1ccc(cc1)[C@@H]1CN(C[C@@H]1CC(O)=O)C(=O)Oc1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-30(38-21)23-8-4-2-5-9-23)16-17-37-25-14-12-22(13-15-25)27-20-33(19-24(27)18-29(34)35)31(36)39-26-10-6-3-7-11-26/h2-15,24,27H,16-20H2,1H3,(H,34,35)/t24-,27-/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	8.31E+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 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))	BDBM50063308 (CHEMBL3398435) Show SMILES Cc1oc(nc1CCOc1ccc(cc1)[C@@H]1CN(C[C@@H]1CC(O)=O)C(=O)Oc1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-30(38-21)23-8-4-2-5-9-23)16-17-37-25-14-12-22(13-15-25)27-20-33(19-24(27)18-29(34)35)31(36)39-26-10-6-3-7-11-26/h2-15,24,27H,16-20H2,1H3,(H,34,35)/t24-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+4	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))	BDBM50063308 (CHEMBL3398435) Show SMILES Cc1oc(nc1CCOc1ccc(cc1)[C@@H]1CN(C[C@@H]1CC(O)=O)C(=O)Oc1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-30(38-21)23-8-4-2-5-9-23)16-17-37-25-14-12-22(13-15-25)27-20-33(19-24(27)18-29(34)35)31(36)39-26-10-6-3-7-11-26/h2-15,24,27H,16-20H2,1H3,(H,34,35)/t24-,27-/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	>1.50E+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 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))	BDBM50063308 (CHEMBL3398435) Show SMILES Cc1oc(nc1CCOc1ccc(cc1)[C@@H]1CN(C[C@@H]1CC(O)=O)C(=O)Oc1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-30(38-21)23-8-4-2-5-9-23)16-17-37-25-14-12-22(13-15-25)27-20-33(19-24(27)18-29(34)35)31(36)39-26-10-6-3-7-11-26/h2-15,24,27H,16-20H2,1H3,(H,34,35)/t24-,27-/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	4.18E+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 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