Found 4 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50179835' 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)) | BDBM50179835
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)Show SMILES CC(C)(Oc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O Show InChI InChI=1S/C25H24ClFO6/c1-25(2,24(28)29)33-20-10-8-18(9-11-20)30-14-3-15-31-23-13-12-21(16-22(23)26)32-19-6-4-17(27)5-7-19/h4-13,16H,3,14-15H2,1-2H3,(H,28,29) | 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 | 981 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human PPAR gamma |
Bioorg Med Chem Lett 16: 1673-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.022 BindingDB Entry DOI: 10.7270/Q2930SRT |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179835
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)Show SMILES CC(C)(Oc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O Show InChI InChI=1S/C25H24ClFO6/c1-25(2,24(28)29)33-20-10-8-18(9-11-20)30-14-3-15-31-23-13-12-21(16-22(23)26)32-19-6-4-17(27)5-7-19/h4-13,16H,3,14-15H2,1-2H3,(H,28,29) | 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 | 981 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description Agonist activity at PPARgamma |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005 BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179835
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)Show SMILES CC(C)(Oc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O Show InChI InChI=1S/C25H24ClFO6/c1-25(2,24(28)29)33-20-10-8-18(9-11-20)30-14-3-15-31-23-13-12-21(16-22(23)26)32-19-6-4-17(27)5-7-19/h4-13,16H,3,14-15H2,1-2H3,(H,28,29) | 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 | 981 | n/a | n/a | n/a | n/a | n/a | n/a |
Universiti Sains Malaysia
Curated by ChEMBL
| Assay Description Displacement of radio-labeled full agonist from PPARgamma receptor |
Eur J Med Chem 46: 2513-29 (2011)
Article DOI: 10.1016/j.ejmech.2011.03.040 BindingDB Entry DOI: 10.7270/Q2K35V05 |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50179835
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)Show SMILES CC(C)(Oc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O Show InChI InChI=1S/C25H24ClFO6/c1-25(2,24(28)29)33-20-10-8-18(9-11-20)30-14-3-15-31-23-13-12-21(16-22(23)26)32-19-6-4-17(27)5-7-19/h4-13,16H,3,14-15H2,1-2H3,(H,28,29) | 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 | 982 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description Agonist activity at PPARgamma |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005 BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this Ligand-Target Pair | |