Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 370.4 BDBM50467803

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))	BDBM50467803 (CHEMBL4277858) Show SMILES CC(C)(C)c1cccc(OCCOc2ccc3C(CC(O)=O)COc3c2)c1 Show InChI InChI=1S/C22H26O5/c1-22(2,3)16-5-4-6-17(12-16)25-9-10-26-18-7-8-19-15(11-21(23)24)14-27-20(19)13-18/h4-8,12-13,15H,9-11,14H2,1-3H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.57E+3	n/a	n/a	n/a	n/a
Guangdong Pharmaceutical University Curated by ChEMBL					Assay Description Agonist activity at human GAL4 fused PPARdelta-LBD expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay				Eur J Med Chem 159: 267-276 (2018) Article DOI: 10.1016/j.ejmech.2018.09.071 BindingDB Entry DOI: 10.7270/Q27D2XTM
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50467803 (CHEMBL4277858) Show SMILES CC(C)(C)c1cccc(OCCOc2ccc3C(CC(O)=O)COc3c2)c1 Show InChI InChI=1S/C22H26O5/c1-22(2,3)16-5-4-6-17(12-16)25-9-10-26-18-7-8-19-15(11-21(23)24)14-27-20(19)13-18/h4-8,12-13,15H,9-11,14H2,1-3H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Guangdong Pharmaceutical University Curated by ChEMBL					Assay Description Agonist activity at human GAL4 fused PPARalpha-LBD expressed in human HepG2 cells after 18 hrs by luciferase reporter gene assay				Eur J Med Chem 159: 267-276 (2018) Article DOI: 10.1016/j.ejmech.2018.09.071 BindingDB Entry DOI: 10.7270/Q27D2XTM
					More data for this Ligand-Target Pair
Free fatty acid receptor 1 (Homo sapiens (Human))	BDBM50467803 (CHEMBL4277858) Show SMILES CC(C)(C)c1cccc(OCCOc2ccc3C(CC(O)=O)COc3c2)c1 Show InChI InChI=1S/C22H26O5/c1-22(2,3)16-5-4-6-17(12-16)25-9-10-26-18-7-8-19-15(11-21(23)24)14-27-20(19)13-18/h4-8,12-13,15H,9-11,14H2,1-3H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.85E+3	n/a	n/a	n/a	n/a
Guangdong Pharmaceutical University Curated by ChEMBL					Assay Description Agonist activity at human FFA1 expressed in CHO cells assessed as increase in intracellular Ca2+ flux after 1 hr by Fluo4-AM dye based FLIPR assay				Eur J Med Chem 159: 267-276 (2018) Article DOI: 10.1016/j.ejmech.2018.09.071 BindingDB Entry DOI: 10.7270/Q27D2XTM
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50467803 (CHEMBL4277858) Show SMILES CC(C)(C)c1cccc(OCCOc2ccc3C(CC(O)=O)COc3c2)c1 Show InChI InChI=1S/C22H26O5/c1-22(2,3)16-5-4-6-17(12-16)25-9-10-26-18-7-8-19-15(11-21(23)24)14-27-20(19)13-18/h4-8,12-13,15H,9-11,14H2,1-3H3,(H,23,24)	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	2.03E+3	n/a	n/a	n/a	n/a
Guangdong Pharmaceutical University Curated by ChEMBL					Assay Description Agonist activity at human GAL4 fused PPARgamma-LBD expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay				Eur J Med Chem 159: 267-276 (2018) Article DOI: 10.1016/j.ejmech.2018.09.071 BindingDB Entry DOI: 10.7270/Q27D2XTM
					More data for this Ligand-Target Pair