Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 543.6 BDBM50384976

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 delta (Homo sapiens (Human))	BDBM50384976 (CHEMBL2037577) Show SMILES Cc1nc(sc1C(Cc1ccccc1)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H24F3NO3S2/c1-17-14-22(12-13-23(17)35-16-25(33)34)36-24(15-19-6-4-3-5-7-19)26-18(2)32-27(37-26)20-8-10-21(11-9-20)28(29,30)31/h3-14,24H,15-16H2,1-2H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Transactivation activity at human PPARdelta expressed in african green monkey CV1 cells after 24 hrs by luciferase reporter gene assay				Eur J Med Chem 53: 190-202 (2012) Article DOI: 10.1016/j.ejmech.2012.03.055 BindingDB Entry DOI: 10.7270/Q2JW8FX2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50384976 (CHEMBL2037577) Show SMILES Cc1nc(sc1C(Cc1ccccc1)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H24F3NO3S2/c1-17-14-22(12-13-23(17)35-16-25(33)34)36-24(15-19-6-4-3-5-7-19)26-18(2)32-27(37-26)20-8-10-21(11-9-20)28(29,30)31/h3-14,24H,15-16H2,1-2H3,(H,33,34)	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	>1.00E+4	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Transactivation activity at human PPARgamma expressed in african green monkey CV1 cells after 24 hrs by luciferase reporter gene assay				Eur J Med Chem 53: 190-202 (2012) Article DOI: 10.1016/j.ejmech.2012.03.055 BindingDB Entry DOI: 10.7270/Q2JW8FX2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50384976 (CHEMBL2037577) Show SMILES Cc1nc(sc1C(Cc1ccccc1)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H24F3NO3S2/c1-17-14-22(12-13-23(17)35-16-25(33)34)36-24(15-19-6-4-3-5-7-19)26-18(2)32-27(37-26)20-8-10-21(11-9-20)28(29,30)31/h3-14,24H,15-16H2,1-2H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Transactivation activity at human PPARalpha expressed in african green monkey CV1 cells after 24 hrs by luciferase reporter gene assay				Eur J Med Chem 53: 190-202 (2012) Article DOI: 10.1016/j.ejmech.2012.03.055 BindingDB Entry DOI: 10.7270/Q2JW8FX2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50384976 (CHEMBL2037577) Show SMILES Cc1nc(sc1C(Cc1ccccc1)Sc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H24F3NO3S2/c1-17-14-22(12-13-23(17)35-16-25(33)34)36-24(15-19-6-4-3-5-7-19)26-18(2)32-27(37-26)20-8-10-21(11-9-20)28(29,30)31/h3-14,24H,15-16H2,1-2H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Binding affinity at human GST-tagged PPARdelta ligand binding domain after 1 hr by time-resolved FRET analysis				Eur J Med Chem 53: 190-202 (2012) Article DOI: 10.1016/j.ejmech.2012.03.055 BindingDB Entry DOI: 10.7270/Q2JW8FX2
					More data for this Ligand-Target Pair