Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 607.5 BDBM50099486

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 delta (Homo sapiens (Human))	BDBM50099486 (2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-(3,5-dichloro...) Show SMILES CC(C)(Sc1ccc(CCN(CCc2ccc(cc2)-c2ccccc2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(O)=O Show InChI InChI=1S/C33H32Cl2N2O3S/c1-33(2,31(38)39)41-30-14-10-24(11-15-30)17-19-37(32(40)36-29-21-27(34)20-28(35)22-29)18-16-23-8-12-26(13-9-23)25-6-4-3-5-7-25/h3-15,20-22H,16-19H2,1-2H3,(H,36,40)(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR delta ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50099486 (2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-(3,5-dichloro...) Show SMILES CC(C)(Sc1ccc(CCN(CCc2ccc(cc2)-c2ccccc2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(O)=O Show InChI InChI=1S/C33H32Cl2N2O3S/c1-33(2,31(38)39)41-30-14-10-24(11-15-30)17-19-37(32(40)36-29-21-27(34)20-28(35)22-29)18-16-23-8-12-26(13-9-23)25-6-4-3-5-7-25/h3-15,20-22H,16-19H2,1-2H3,(H,36,40)(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	PubMed	n/a	n/a	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR gamma ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50099486 (2-(4-{2-[1-(2-Biphenyl-4-yl-ethyl)-3-(3,5-dichloro...) Show SMILES CC(C)(Sc1ccc(CCN(CCc2ccc(cc2)-c2ccccc2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(O)=O Show InChI InChI=1S/C33H32Cl2N2O3S/c1-33(2,31(38)39)41-30-14-10-24(11-15-30)17-19-37(32(40)36-29-21-27(34)20-28(35)22-29)18-16-23-8-12-26(13-9-23)25-6-4-3-5-7-25/h3-15,20-22H,16-19H2,1-2H3,(H,36,40)(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR alpha ligand binding domain				Bioorg Med Chem Lett 11: 1225-7 (2001) BindingDB Entry DOI: 10.7270/Q2Z31XX0
					More data for this Ligand-Target Pair