Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 438.9 BDBM50535438

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 5 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))	BDBM50535438 (CHEMBL4471853) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccc(Cl)cc2)cc1)C(O)=O Show InChI InChI=1S/C24H23ClN2O4/c1-24(2,23(28)29)31-22-11-3-17(4-12-22)15-16-30-21-13-9-20(10-14-21)27-26-19-7-5-18(25)6-8-19/h3-14H,15-16H2,1-2H3,(H,28,29)/b27-26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a
University of Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARdelta LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...				ACS Med Chem Lett 10: 545-551 (2019) Article DOI: 10.1021/acsmedchemlett.8b00574 BindingDB Entry DOI: 10.7270/Q2QZ2FG6
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50535438 (CHEMBL4471853) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccc(Cl)cc2)cc1)C(O)=O Show InChI InChI=1S/C24H23ClN2O4/c1-24(2,23(28)29)31-22-11-3-17(4-12-22)15-16-30-21-13-9-20(10-14-21)27-26-19-7-5-18(25)6-8-19/h3-14H,15-16H2,1-2H3,(H,28,29)/b27-26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	380	n/a	n/a	n/a	n/a
University of Chieti "G. d.Annunzio" Curated by ChEMBL					Assay Description Transactivation of GAL4-tagged human PPARalpha LBD expressed in human HepG2 cells at 100 nM to 100 uM incubated for 20 to 22 hrs by luciferase report...				ACS Med Chem Lett 10: 545-551 (2019) Article DOI: 10.1021/acsmedchemlett.8b00574 BindingDB Entry DOI: 10.7270/Q2QZ2FG6
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50535438 (CHEMBL4471853) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccc(Cl)cc2)cc1)C(O)=O Show InChI InChI=1S/C24H23ClN2O4/c1-24(2,23(28)29)31-22-11-3-17(4-12-22)15-16-30-21-13-9-20(10-14-21)27-26-19-7-5-18(25)6-8-19/h3-14H,15-16H2,1-2H3,(H,28,29)/b27-26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	790	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at Gal4-fused human PPARalpha LBD transfected in HEK293T cells assessed as transcriptional activation incubated for 14 to 16 hrs by ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00810 BindingDB Entry DOI: 10.7270/Q2N87FNT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50535438 (CHEMBL4471853) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccc(Cl)cc2)cc1)C(O)=O Show InChI InChI=1S/C24H23ClN2O4/c1-24(2,23(28)29)31-22-11-3-17(4-12-22)15-16-30-21-13-9-20(10-14-21)27-26-19-7-5-18(25)6-8-19/h3-14H,15-16H2,1-2H3,(H,28,29)/b27-26+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at Gal4-fused human PPARgamma LBD transfected in HEK293T cells assessed as transcriptional activation incubated for 14 to 16 hrs by ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00810 BindingDB Entry DOI: 10.7270/Q2N87FNT
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50535438 (CHEMBL4471853) Show SMILES CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccc(Cl)cc2)cc1)C(O)=O Show InChI InChI=1S/C24H23ClN2O4/c1-24(2,23(28)29)31-22-11-3-17(4-12-22)15-16-30-21-13-9-20(10-14-21)27-26-19-7-5-18(25)6-8-19/h3-14H,15-16H2,1-2H3,(H,28,29)/b27-26+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at Gal4-fused human PPARdelta LBD transfected in HEK293T cells assessed as transcriptional activation incubated for 14 to 16 hrs by ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00810 BindingDB Entry DOI: 10.7270/Q2N87FNT
					More data for this Ligand-Target Pair