Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 480.5 BDBM50248345

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))	BDBM50248345 (4-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzy...) Show SMILES Cc1oc(nc1CCOc1ccc(Cc2nnn(c2C(O)=O)-c2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H24N4O4/c1-19-24(29-27(36-19)21-8-4-2-5-9-21)16-17-35-23-14-12-20(13-15-23)18-25-26(28(33)34)32(31-30-25)22-10-6-3-7-11-22/h2-15H,16-18H2,1H3,(H,33,34)	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	880	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 19: 1451-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.030 BindingDB Entry DOI: 10.7270/Q2MC8ZW8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50248345 (4-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzy...) Show SMILES Cc1oc(nc1CCOc1ccc(Cc2nnn(c2C(O)=O)-c2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H24N4O4/c1-19-24(29-27(36-19)21-8-4-2-5-9-21)16-17-35-23-14-12-20(13-15-23)18-25-26(28(33)34)32(31-30-25)22-10-6-3-7-11-22/h2-15H,16-18H2,1H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 19: 1451-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.030 BindingDB Entry DOI: 10.7270/Q2MC8ZW8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50248345 (4-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzy...) Show SMILES Cc1oc(nc1CCOc1ccc(Cc2nnn(c2C(O)=O)-c2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H24N4O4/c1-19-24(29-27(36-19)21-8-4-2-5-9-21)16-17-35-23-14-12-20(13-15-23)18-25-26(28(33)34)32(31-30-25)22-10-6-3-7-11-22/h2-15H,16-18H2,1H3,(H,33,34)	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	5.80E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Agonist activity at human PPARgamma ligand binding domain expressed in HEK293 cells by Gal4 transactivation assay				Bioorg Med Chem Lett 19: 1451-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.030 BindingDB Entry DOI: 10.7270/Q2MC8ZW8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50248345 (4-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzy...) Show SMILES Cc1oc(nc1CCOc1ccc(Cc2nnn(c2C(O)=O)-c2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H24N4O4/c1-19-24(29-27(36-19)21-8-4-2-5-9-21)16-17-35-23-14-12-20(13-15-23)18-25-26(28(33)34)32(31-30-25)22-10-6-3-7-11-22/h2-15H,16-18H2,1H3,(H,33,34)	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 Curated by ChEMBL					Assay Description Agonist activity at human PPARalpha ligand binding domain expressed in HEK293 cells by Gal4 transactivation assay				Bioorg Med Chem Lett 19: 1451-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.030 BindingDB Entry DOI: 10.7270/Q2MC8ZW8
					More data for this Ligand-Target Pair