Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 468.9 BDBM50148098

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 gamma (Homo sapiens (Human))	BDBM50148098 ((S)-7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-m...) Show SMILES C[C@]1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)/t26-/m0/s1	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	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity for human PPAR gamma receptor using scintillation proximity assay (SPA)				J Med Chem 47: 3255-63 (2004) Article DOI: 10.1021/jm030621d BindingDB Entry DOI: 10.7270/Q2JW8DB1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50148098 ((S)-7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-m...) Show SMILES C[C@]1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)				J Med Chem 47: 3255-63 (2004) Article DOI: 10.1021/jm030621d BindingDB Entry DOI: 10.7270/Q2JW8DB1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50148098 ((S)-7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-m...) Show SMILES C[C@]1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity for human Peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)				J Med Chem 47: 3255-63 (2004) Article DOI: 10.1021/jm030621d BindingDB Entry DOI: 10.7270/Q2JW8DB1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50148098 ((S)-7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-m...) Show SMILES C[C@]1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)/t26-/m0/s1	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	7.60E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)				J Med Chem 47: 3255-63 (2004) Article DOI: 10.1021/jm030621d BindingDB Entry DOI: 10.7270/Q2JW8DB1
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50148098 ((S)-7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-m...) Show SMILES C[C@]1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation ass...				J Med Chem 47: 3255-63 (2004) Article DOI: 10.1021/jm030621d BindingDB Entry DOI: 10.7270/Q2JW8DB1
					More data for this Ligand-Target Pair