Found 5 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50131514' 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)) | BDBM50131514
(5-(3-{3-[4-(4-Hydroxy-phenoxy)-2-propyl-phenoxy]-p...)Show SMILES CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C27H27NO6S/c1-2-5-18-16-23(34-21-10-8-20(29)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)28-27(31)35-25/h3,6-13,16-17,29-30H,2,4-5,14-15H2,1H3,(H,28,31) | 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 | 30.0 | 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)) | BDBM50131514
(5-(3-{3-[4-(4-Hydroxy-phenoxy)-2-propyl-phenoxy]-p...)Show SMILES CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C27H27NO6S/c1-2-5-18-16-23(34-21-10-8-20(29)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)28-27(31)35-25/h3,6-13,16-17,29-30H,2,4-5,14-15H2,1H3,(H,28,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity against human peroxisome proliferator activated receptor gamma |
Bioorg Med Chem Lett 13: 2795-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8R7K |
More data for this Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50131514
(5-(3-{3-[4-(4-Hydroxy-phenoxy)-2-propyl-phenoxy]-p...)Show SMILES CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C27H27NO6S/c1-2-5-18-16-23(34-21-10-8-20(29)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)28-27(31)35-25/h3,6-13,16-17,29-30H,2,4-5,14-15H2,1H3,(H,28,31) | 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 | 30 | 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)) | BDBM50131514
(5-(3-{3-[4-(4-Hydroxy-phenoxy)-2-propyl-phenoxy]-p...)Show SMILES CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C27H27NO6S/c1-2-5-18-16-23(34-21-10-8-20(29)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)28-27(31)35-25/h3,6-13,16-17,29-30H,2,4-5,14-15H2,1H3,(H,28,31) | 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 | 30 | 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)) | BDBM50131514
(5-(3-{3-[4-(4-Hydroxy-phenoxy)-2-propyl-phenoxy]-p...)Show SMILES CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O Show InChI InChI=1S/C27H27NO6S/c1-2-5-18-16-23(34-21-10-8-20(29)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)28-27(31)35-25/h3,6-13,16-17,29-30H,2,4-5,14-15H2,1H3,(H,28,31) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | n/a | 23 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity against human Peroxisome proliferator activated receptor delta |
Bioorg Med Chem Lett 13: 2795-8 (2003)
BindingDB Entry DOI: 10.7270/Q25D8R7K |
More data for this Ligand-Target Pair | |