Found 10 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' and Ligand = 'BDBM28706' 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 alpha
(Homo sapiens (Human)) | BDBM28706
(2-methyl-2-phenoxypropanoic acid, 25a | 2-methyl-2...)Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31) | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
GSK
| Assay Description The ligand binding domain for PPAR was fused to the yeast transcription factor GAL4 DNA binding domain. CV-1 cells were transiently transfected with ... |
J Med Chem 50: 685-95 (2007)
Article DOI: 10.1021/jm058056x BindingDB Entry DOI: 10.7270/Q2RN3669 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Mus musculus) | BDBM28706
(2-methyl-2-phenoxypropanoic acid, 25a | 2-methyl-2...)Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description Agonist activity at mouse PPARalpha assessed as receptor activation by cell based assay |
Bioorg Med Chem Lett 18: 710-5 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.053 BindingDB Entry DOI: 10.7270/Q2542NBN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28706
(2-methyl-2-phenoxypropanoic acid, 25a | 2-methyl-2...)Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description Agonist activity at human PPARalpha assessed as receptor activation by cell based assay |
Bioorg Med Chem Lett 18: 710-5 (2008)
Article DOI: 10.1016/j.bmcl.2007.11.053 BindingDB Entry DOI: 10.7270/Q2542NBN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28706
(2-methyl-2-phenoxypropanoic acid, 25a | 2-methyl-2...)Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description Agonist activity at human PPARalpha receptor by cell based transient transfection assay |
Bioorg Med Chem Lett 18: 6251-4 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.094 BindingDB Entry DOI: 10.7270/Q20Z733H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28706
(2-methyl-2-phenoxypropanoic acid, 25a | 2-methyl-2...)Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31) | PDB
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a |
University of Oklahoma
Curated by ChEMBL
| Assay Description Binding affinity to His-tagged PPARalpha LBD (unknown origin) expressed in Escherichia coli Rosetta (DE3) at 25 degree C by isothermal titration calo... |
J Med Chem 63: 2854-2876 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01189 BindingDB Entry DOI: 10.7270/Q2H998HT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28706
(2-methyl-2-phenoxypropanoic acid, 25a | 2-methyl-2...)Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31) | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co. Ltd
Curated by ChEMBL
| Assay Description Agonist activity at human PPARalpha-LBD expressed in CV1 cells cotransfected with Gal4 after 40 hrs by luciferase based transactivation assay |
Bioorg Med Chem 19: 3255-64 (2011)
Article DOI: 10.1016/j.bmc.2011.03.053 BindingDB Entry DOI: 10.7270/Q2DZ08NT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28706
(2-methyl-2-phenoxypropanoic acid, 25a | 2-methyl-2...)Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31) | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Universit£ Lille-Nord de France
Curated by ChEMBL
| Assay Description Agonist activity at human PPARalpha |
J Med Chem 55: 4027-61 (2012)
Article DOI: 10.1021/jm101360s BindingDB Entry DOI: 10.7270/Q2ST7QW1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28706
(2-methyl-2-phenoxypropanoic acid, 25a | 2-methyl-2...)Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| n/a | n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a |
University of Oklahoma
Curated by ChEMBL
| Assay Description Agonist activity at human PPARalpha after 22 to 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem Lett 28: 2717-2722 (2018)
Article DOI: 10.1016/j.bmcl.2018.03.010 BindingDB Entry DOI: 10.7270/Q24F1TCK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28706
(2-methyl-2-phenoxypropanoic acid, 25a | 2-methyl-2...)Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a |
University of Oklahoma
Curated by ChEMBL
| Assay Description Agonist activity at human PPARalpha expressed in nonhuman mammalian cells assessed as increase in receptor transcriptional activity incubated for 22 ... |
J Med Chem 63: 2854-2876 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01189 BindingDB Entry DOI: 10.7270/Q2H998HT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28706
(2-methyl-2-phenoxypropanoic acid, 25a | 2-methyl-2...)Show SMILES Cc1nc(sc1C(=O)NCc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Nippon Chemiphar Co Ltd
Curated by ChEMBL
| Assay Description Transactivation of GAL4-fused human PPARalpha DNA binding domain expressed in african green monkey CV1 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 21: 240-4 (2010)
Article DOI: 10.1016/j.bmcl.2010.11.030 BindingDB Entry DOI: 10.7270/Q2862GQ4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |