Found 261 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Retinoid receptor
(207/237 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
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| 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Agonistic activity of the compound towards retinoid X receptor-beta |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid receptor
(207/237 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| 7.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR beta |
J Med Chem 39: 2659-63 (1996)
Article DOI: 10.1021/jm960285j BindingDB Entry DOI: 10.7270/Q2988631 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM50030474
 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
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| 8 | -43.0 | n/a | n/a | n/a | n/a | n/a | 8.2 | 4 |
Université de Rennes 1
| Assay Description Binding assays were performed in 96-well plate format, using a classical filtration assay with a human full length PPARγ construct (GST-PPAR LBD... |
J Enzyme Inhib Med Chem 25: 653-72 (2010)
Article DOI: 10.3109/14756360903468171 BindingDB Entry DOI: 10.7270/Q2HT2N6V |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SPOT-EA3857
Curated by ChEMBL
| Assay Description Displacement of [3H]Rosiglitazone from human PPARgamma |
Bioorg Med Chem Lett 18: 1617-22 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.067 BindingDB Entry DOI: 10.7270/Q2222TGW |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CNRS UMR 6052
Curated by ChEMBL
| Assay Description Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone |
Bioorg Med Chem Lett 15: 4421-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.049 BindingDB Entry DOI: 10.7270/Q26Q1WS5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR alpha |
J Med Chem 39: 3229-34 (1996)
Article DOI: 10.1021/jm960311d BindingDB Entry DOI: 10.7270/Q2ZW1K14 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR alpha |
J Med Chem 39: 2659-63 (1996)
Article DOI: 10.1021/jm960285j BindingDB Entry DOI: 10.7270/Q2988631 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid receptor
(207/237 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR beta |
J Med Chem 39: 3229-34 (1996)
Article DOI: 10.1021/jm960311d BindingDB Entry DOI: 10.7270/Q2ZW1K14 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay |
Bioorg Med Chem 21: 979-92 (2013)
Article DOI: 10.1016/j.bmc.2012.11.058 BindingDB Entry DOI: 10.7270/Q23F4R13 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor gamma/retinoic acid receptor alpha
(206/238 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Agonistic activity of the compound towards retinoid X receptor-gamma |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Tokyo
Curated by ChEMBL
| Assay Description Agonistic activity of the compound towards retinoid X receptor-alpha |
J Med Chem 40: 4222-34 (1998)
Article DOI: 10.1021/jm9704309 BindingDB Entry DOI: 10.7270/Q21J98VC |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor gamma/retinoic acid receptor alpha
(206/238 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis-RA binding to Retinoid X receptor RXR gamma |
J Med Chem 39: 2659-63 (1996)
Article DOI: 10.1021/jm960285j BindingDB Entry DOI: 10.7270/Q2988631 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor gamma/retinoic acid receptor alpha
(206/238 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of [3H]-Targretin binding to Retinoid X receptor RXR gamma |
J Med Chem 39: 3229-34 (1996)
Article DOI: 10.1021/jm960311d BindingDB Entry DOI: 10.7270/Q2ZW1K14 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
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| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma) was determined by HTRF assay |
Bioorg Med Chem Lett 13: 3185-90 (2003)
Article DOI: 10.1016/s0960-894x(03)00702-9 BindingDB Entry DOI: 10.7270/Q2TQ6229 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM50030474
 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai University of Traditional Chinese Medicine
Curated by ChEMBL
| Assay Description Agonist activity at PPARgamma ligand binding domain (unknown origin) using fluormone Pan-PPAR green tracer by TR-FRET assay based competitive ligand ... |
Bioorg Med Chem Lett 25: 2579-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.029 BindingDB Entry DOI: 10.7270/Q2SQ9224 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor gamma/retinoic acid receptor alpha
(206/238 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| 27 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity towards Retinoic acid receptor RXR-gamma by displacing 3.4 nM 3[H]-9-cis-RA |
Bioorg Med Chem Lett 7: 2313-2318 (1997)
Article DOI: 10.1016/S0960-894X(97)00420-4 BindingDB Entry DOI: 10.7270/Q2Z89CDD |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM50030474
 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development
Curated by ChEMBL
| Assay Description Binding affinity against Peroxisome proliferator activated receptor gamma (PPAR gamma) |
Bioorg Med Chem Lett 9: 3329-34 (2000)
Article DOI: 10.1016/s0960-894x(99)00603-4 BindingDB Entry DOI: 10.7270/Q2FN15FG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
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| 47 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development
Curated by ChEMBL
| Assay Description In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma) using [3H]-BRL 49653 as radioligand in scintillation proximity assa... |
J Med Chem 41: 5020-36 (1999)
Checked by Author Article DOI: 10.1021/jm9804127 BindingDB Entry DOI: 10.7270/Q20K2B28 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
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| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Binding affinity was determined by displacement of 20 nM [3H]- thiazolidinedione from 4 nM biotinylated human peroxisome proliferator-activated recep... |
Bioorg Med Chem Lett 7: 2491-2496 (1997)
Article DOI: 10.1016/S0960-894X(97)10017-8 BindingDB Entry DOI: 10.7270/Q2DB81VF |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity for human peroxisome proliferator activated receptor gamma |
J Med Chem 47: 4118-27 (2004)
Article DOI: 10.1021/jm030631e BindingDB Entry DOI: 10.7270/Q2DR2TZ5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| 74 | -40.3 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Consiglio Nazionale delle Ricerche
| Assay Description The scintillation proximity assay was performed in 96-well plates containing polylysine-coated yttrium silicate beads, His-PPARgamma-LBD, and [3H]ros... |
J Biol Chem 282: 17314-24 (2007)
Article DOI: 10.1074/jbc.M702316200 BindingDB Entry DOI: 10.7270/Q27M0682 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto Tumori"Giovanni Paolo II"
Curated by ChEMBL
| Assay Description Displacement of [3H]rosiglitazone from N-terminal His-tagged human PPARgamma ligand binding domain expressed in Escherichia coli BL21 DE3 cells by sc... |
J Med Chem 55: 37-54 (2012)
Article DOI: 10.1021/jm201306q BindingDB Entry DOI: 10.7270/Q23N24JP |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Binding affinity to human Peroxisome proliferator activated receptor gamma using scintillation proximity assay |
Bioorg Med Chem Lett 11: 3111-3 (2001)
Article DOI: 10.1016/s0960-894x(01)00649-7 BindingDB Entry DOI: 10.7270/Q2B27TKM |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 136 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity towards peroxisome proliferator activated receptor gamma (PPAR gamma) |
Bioorg Med Chem Lett 13: 3185-90 (2003)
Article DOI: 10.1016/s0960-894x(03)00702-9 BindingDB Entry DOI: 10.7270/Q2TQ6229 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| 136 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor gamma (PPAR gamma) |
Bioorg Med Chem Lett 13: 931-5 (2003)
Article DOI: 10.1016/s0960-894x(02)01029-6 BindingDB Entry DOI: 10.7270/Q2HX1C1Z |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA assay |
Bioorg Med Chem Lett 16: 6116-9 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.105 BindingDB Entry DOI: 10.7270/Q2H131P4 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay |
Bioorg Med Chem Lett 16: 6120-3 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.110 BindingDB Entry DOI: 10.7270/Q20Z72XV |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
PPAR alpha/gamma
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM50030474
 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Displacement of [3H]rosiglitazone from human recombinant PPAR-gamma receptor expressed in Escherichia coli measured after 120 mins by scintillation c... |
Bioorg Med Chem 25: 471-482 (2017)
Article DOI: 10.1016/j.bmc.2016.11.014 BindingDB Entry DOI: 10.7270/Q2CF9S3S |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM50030474
 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| Purchase
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| DrugBank PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Jagiellonian University Medical College
Curated by ChEMBL
| Assay Description Displacement of [3H]rosiglitazone from human recombinant PPARgamma receptor expressed in Escherichia coli |
Bioorg Med Chem 24: 1793-810 (2016)
Article DOI: 10.1016/j.bmc.2016.03.006 BindingDB Entry DOI: 10.7270/Q2J67JS7 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor gamma/retinoic acid receptor alpha
(206/238 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Binding affinity against retinoic Acid X gamma receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay |
J Med Chem 37: 408-14 (1994)
Article DOI: 10.1021/jm00029a013 BindingDB Entry DOI: 10.7270/Q20V8BT5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid receptor
(207/237 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank GoogleScholar
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Binding affinity against retinoic Acid X beta receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay |
J Med Chem 37: 408-14 (1994)
Article DOI: 10.1021/jm00029a013 BindingDB Entry DOI: 10.7270/Q20V8BT5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
| Purchase
CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis-retinoic acid binding to human retinoid X receptor alpha ligand-binding domain expressed in E. coli |
J Med Chem 47: 4360-72 (2004)
Article DOI: 10.1021/jm030651g BindingDB Entry DOI: 10.7270/Q24749B0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development
Curated by ChEMBL
| Assay Description Initial binding affinity against PPAR-gamma receptor |
Bioorg Med Chem Lett 8: 3657-8 (1999)
Article DOI: 10.1016/s0960-894x(98)00664-7 BindingDB Entry DOI: 10.7270/Q2736Q2P |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
| Purchase
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Binding affinity against retinoic Acid X alpha receptor using [3H]- -9-cis-Retinoic Acid in competitive binding assay |
J Med Chem 37: 408-14 (1994)
Article DOI: 10.1021/jm00029a013 BindingDB Entry DOI: 10.7270/Q20V8BT5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM50030474
 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| Purchase
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Similars
| DrugBank PDB Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Pharmaceutical Education and Research (NIPER)
Curated by ChEMBL
| Assay Description Binding affinity to GST-tagged human PPAR-gamma receptor by FRET assay |
Eur J Med Chem 108: 423-35 (2016)
Article DOI: 10.1016/j.ejmech.2015.11.030 BindingDB Entry DOI: 10.7270/Q2KP841X |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research and Development
Curated by ChEMBL
| Assay Description Inhibition of PPARgamma |
Bioorg Med Chem Lett 18: 1939-44 (2008)
Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Binding affinity at human peroxidase proliferator activated receptor gamma (hPPARgamma) |
J Med Chem 44: 2061-4 (2001)
Article DOI: 10.1021/jm0155188 BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of tritium labeled ligand from human PPARgamma by SPA assay |
Bioorg Med Chem Lett 16: 6293-7 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.028 BindingDB Entry DOI: 10.7270/Q23R0TNK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development
Curated by ChEMBL
| Assay Description Final binding affinity against PPAR-gamma receptor |
Bioorg Med Chem Lett 8: 3657-8 (1999)
Article DOI: 10.1016/s0960-894x(98)00664-7 BindingDB Entry DOI: 10.7270/Q2736Q2P |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development
Curated by ChEMBL
| Assay Description Final binding affinity against PPAR-gamma receptor |
Bioorg Med Chem Lett 8: 3657-8 (1999)
Article DOI: 10.1016/s0960-894x(98)00664-7 BindingDB Entry DOI: 10.7270/Q2736Q2P |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]2-methyl-2-(4-{3-propyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-pro-pyl}-phenoxy)-propionic acid from human PPARgamma |
Bioorg Med Chem Lett 16: 6328-33 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.011 BindingDB Entry DOI: 10.7270/Q2PK0FSC |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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| PDB Article PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]-2-methyl-2-(4-{3-{propyl-(5-pyridin-2-yl-thiophene-2-sulfonyl)-amino}-propyl}-phenoxy)-propionic acid from human PPARgamma |
Bioorg Med Chem Lett 17: 6744-9 (2008)
Article DOI: 10.1016/j.bmcl.2007.10.047 BindingDB Entry DOI: 10.7270/Q2VT1RTW |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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| PDB Article PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]2-methyl-2-(4-{3-[propyl-(5-pyridin-2-yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma by SPA |
J Med Chem 49: 5649-52 (2006)
Article DOI: 10.1021/jm060617c BindingDB Entry DOI: 10.7270/Q2K073WF |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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| PDB Article PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]2-methyl-2-(4-{3-[porpyl-(5-pyridin-2yl-thiophene-2-sulfonyl)-amino]-propyl}-phenoxy)-propionic acid from human PPARgamma |
Bioorg Med Chem Lett 17: 1052-5 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.029 BindingDB Entry DOI: 10.7270/Q2BP02F8 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Mean inhibitory concentration against human peroxisome proliferator-activated receptor gamma |
Bioorg Med Chem Lett 15: 51-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.042 BindingDB Entry DOI: 10.7270/Q24B30T6 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM50030474
 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Shanghai University of Traditional Chinese Medicine
Curated by ChEMBL
| Assay Description Agonist activity at PPARgamma ligand binding domain (unknown origin) using fluormone Pan-PPAR green tracer by TR-FRET assay based competitive ligand ... |
Bioorg Med Chem Lett 25: 2579-83 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.029 BindingDB Entry DOI: 10.7270/Q2SQ9224 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor alpha
(236/238 > 99%)† (Mus musculus) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
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GoogleScholar
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| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Inhibition of [3H]-ATRA binding to mouse Retinoic acid receptor RXR alpha |
J Med Chem 39: 3625-35 (1996)
Article DOI: 10.1021/jm9603126 BindingDB Entry DOI: 10.7270/Q2S46R1Z |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Procter and Gamble Pharmaceuticals
Curated by ChEMBL
| Assay Description Displacement of Fluormone from PPAR gamma |
Bioorg Med Chem Lett 16: 5659-63 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.003 BindingDB Entry DOI: 10.7270/Q2K35T8B |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 49: 1212-6 (2006)
Article DOI: 10.1021/jm0510373 BindingDB Entry DOI: 10.7270/Q2QV3M3P |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
National Health Research Institutes
Curated by ChEMBL
| Assay Description Displacement of [3H]-rosiglitazone from human PPAR gamma by SPA assay |
J Med Chem 48: 8194-208 (2005)
Article DOI: 10.1021/jm0506930 BindingDB Entry DOI: 10.7270/Q2R78DS5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM50030474
 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | 103 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description Inhibition of fluormone PPARgamma Green binding to recombinant N-terminal GST-tagged human PPARgamma LBD by fluorescence polarization assay |
Eur J Med Chem 138: 830-853 (2017)
Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM50030474
 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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| n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
SPTanis PharmaChem Consulting LLC
Curated by ChEMBL
| Assay Description Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-tagged human PPARgamma ligand binding domain after 1 hr in dark by TR-... |
Bioorg Med Chem 26: 5870-5884 (2018)
Article DOI: 10.1016/j.bmc.2018.10.033 BindingDB Entry DOI: 10.7270/Q2XD14DJ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM50030474
 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 159 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal do ABC
Curated by ChEMBL
| Assay Description Displacement of fluormone from human PPARgamma LBD expressed in Escherichia coli BL21 DE3 by fluorescence polarization assay |
Bioorg Med Chem Lett 23: 5795-802 (2013)
Article DOI: 10.1016/j.bmcl.2013.09.010 BindingDB Entry DOI: 10.7270/Q2D221JC |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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| PDB Article PubMed
| n/a | n/a | 199 | n/a | n/a | n/a | n/a | n/a | n/a |
Sookmyung Women's University
Curated by ChEMBL
| Assay Description Displacement of fluormone PPAR-green from N-terminal His-tagged human PPARgamma-LBD after 2 hrs by fluorescence polarization assay |
Bioorg Med Chem 18: 8315-23 (2010)
Article DOI: 10.1016/j.bmc.2010.09.068 BindingDB Entry DOI: 10.7270/Q25T3KQ1 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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| PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]-rosiglitazone from GST-tagged PPARgammaLBD (unknown origin) after 1 hr by scintillation proximity assay |
Bioorg Med Chem 21: 979-92 (2013)
Article DOI: 10.1016/j.bmc.2012.11.058 BindingDB Entry DOI: 10.7270/Q23F4R13 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human PPARgamma receptor by scintillation proximity assay |
J Med Chem 52: 4443-53 (2009)
Article DOI: 10.1021/jm900367w BindingDB Entry DOI: 10.7270/Q2028RK2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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| PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H2]nTZD3 from human recombinant GST-fused PPARgamma expressed in Escherichia coli by scintillation proximity assay |
J Med Chem 52: 3846-54 (2009)
Article DOI: 10.1021/jm900097m BindingDB Entry DOI: 10.7270/Q2GF0TDR |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 200 | 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 |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 210 | 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 |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 210 | 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 in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
Article DOI: 10.1016/s0960-894x(03)00115-x BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| n/a | n/a | 210 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibitory concentration against human peroxisome proliferator activated receptor gamma in SPA assay |
Bioorg Med Chem Lett 15: 5035-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.002 BindingDB Entry DOI: 10.7270/Q27H1J56 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Wake Forest University
Curated by ChEMBL
| Assay Description Displacement of [3H2]nTZD3 from GST-tagged human recombinant PPARgamma by scintillation proximity assay |
J Med Chem 52: 4631-9 (2009)
Article DOI: 10.1021/jm900326c BindingDB Entry DOI: 10.7270/Q2HQ3ZXB |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human Peroxisome proliferator activated receptor gamma |
J Med Chem 48: 2248-50 (2005)
Article DOI: 10.1021/jm0496436 BindingDB Entry DOI: 10.7270/Q2SX6CRR |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 250 | 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 delta |
Bioorg Med Chem Lett 13: 2795-8 (2003)
Article DOI: 10.1016/s0960-894x(03)00505-5 BindingDB Entry DOI: 10.7270/Q25D8R7K |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human Peroxisome proliferator activated receptor gamma binding |
J Med Chem 48: 2262-5 (2005)
Article DOI: 10.1021/jm048993p BindingDB Entry DOI: 10.7270/Q2VT1RM6 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 250 | 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 PPAR gamma (peroxisome proliferator-activated gamma receptor) |
Bioorg Med Chem Lett 13: 1801-4 (2003)
Article DOI: 10.1016/s0960-894x(03)00257-9 BindingDB Entry DOI: 10.7270/Q2H994K2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human peroxisome proliferator activated receptor gamma binding |
Bioorg Med Chem Lett 15: 2437-40 (2005)
Article DOI: 10.1016/j.bmcl.2005.03.092 BindingDB Entry DOI: 10.7270/Q2CF9PM8 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 256 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Displacement of fluorescein labeled ligand from PPARgamma receptor by fluorescence polarization assay |
Bioorg Med Chem Lett 17: 2312-6 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 267 | n/a | n/a | n/a | n/a | n/a | n/a |
Sookmyung Women's University
Curated by ChEMBL
| Assay Description Agonist activity at N-terminal His-tagged human PPARgamma ligand binding domain by fluorescence polarization assay |
Eur J Med Chem 45: 193-202 (2010)
Article DOI: 10.1016/j.ejmech.2009.09.042 BindingDB Entry DOI: 10.7270/Q22B9003 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 274 | n/a | 223 | n/a | n/a | 7.4 | 23 |
Pfizer Inc
| Assay Description Human 6His-PPAR ligand-binding domain was added to the mixture containing radioligand and test compound, followed by yttrium silicate polylysine SPA ... |
Bioorg Med Chem 17: 7113-25 (2009)
Article DOI: 10.1016/j.bmc.2009.09.001 BindingDB Entry DOI: 10.7270/Q2BP0158 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
PPAR alpha/gamma
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM50030474
 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 292 | n/a | n/a | n/a | n/a | n/a | n/a |
Al-Azhar University
Curated by ChEMBL
| Assay Description Displacement of fluormone-PPARgamma Green from recombinant human N-terminal GST-tagged PPARgamma-LBD by fluorescence polarization assay |
Bioorg Med Chem 25: 1496-1513 (2017)
Article DOI: 10.1016/j.bmc.2017.01.015 BindingDB Entry DOI: 10.7270/Q2H13463 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM50030474
 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 298 | n/a | n/a | n/a | n/a | n/a | n/a |
Al-Azhar University
Curated by ChEMBL
| Assay Description Displacement of fluormone-PPARgamma green from GST-tagged PPARgamma-LBD (unknown origin) by fluorescence polarization assay |
Bioorg Med Chem 25: 4723-4744 (2017)
Article DOI: 10.1016/j.bmc.2017.07.015 BindingDB Entry DOI: 10.7270/Q2DZ0BTW |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description Receptor binding affinity of the compound to human Peroxisome proliferator activated receptor gamma against [3H]-ragalitazar radioligand |
J Med Chem 46: 1306-17 (2003)
Article DOI: 10.1021/jm021027r BindingDB Entry DOI: 10.7270/Q2P55MWJ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Inc
Curated by ChEMBL
| Assay Description Displacement of radio labeled 2(S)-(2-benzoyl-phenylamino)-3-{4-[1,1-ditritio-2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-propionic acid from G... |
Bioorg Med Chem Lett 19: 2468-73 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.036 BindingDB Entry DOI: 10.7270/Q2QC03C3 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development
Curated by ChEMBL
| Assay Description Initial binding affinity against PPAR-gamma receptor |
Bioorg Med Chem Lett 8: 3657-8 (1999)
Article DOI: 10.1016/s0960-894x(98)00664-7 BindingDB Entry DOI: 10.7270/Q2736Q2P |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM50030474
 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PDB Article PubMed
| n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description Transrepression activity at human PPARgamma expressed in HEK293 cells assessed as inhibition of TNFalpha induced NF-kappaB promoter activity pretreat... |
Bioorg Med Chem Lett 27: 2776-2780 (2017)
Article DOI: 10.1016/j.bmcl.2017.04.061 BindingDB Entry DOI: 10.7270/Q2251MKD |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
Consiglio Nazionale delle Ricerche
| Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. The luciferase activity w... |
J Med Chem 51: 7768-76 (2008)
Article DOI: 10.1021/jm800733h BindingDB Entry DOI: 10.7270/Q2CC0Z0D |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 14.8 | 3.80 | n/a | n/a | 7.5 | 37 |
Consiglio Nazionale delle Ricerche
| Assay Description Kd values were obtained by incubating His-PPARgamma-LBD with biotinylated peptide, europium-labeled anti-histidine antibody, and allophycocyanin-labe... |
J Biol Chem 282: 17314-24 (2007)
Article DOI: 10.1074/jbc.M702316200 BindingDB Entry DOI: 10.7270/Q27M0682 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 82 | n/a | n/a | n/a | n/a |
LG Life Sciences
| Assay Description The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. EC50 is the concentration... |
Bioorg Med Chem Lett 17: 937-41 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.050 BindingDB Entry DOI: 10.7270/Q2057D8J |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM50030474
 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank PDB US Patent
| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Zhejiang Hisun Pharmaceutical Co., Ltd
US Patent
| Assay Description After 24 h treatment with the medicament, the cells were lysed with a lysis solution (Cell Culture Lysis buffer, Promega) and centrifuged, and the su... |
US Patent US9346770 (2016)
BindingDB Entry DOI: 10.7270/Q21Z438X |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank MMDB PDB Article
| n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]-9-cis-RA as a radioligand in baculovirus expressed receptor |
Bioorg Med Chem Lett 6: 213-218 (1996)
Article DOI: 10.1016/0960-894X(95)00588-K BindingDB Entry DOI: 10.7270/Q2BC3ZHZ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid receptor
(207/237 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Compound was tested for binding affinity against retinoid X receptor using 5 nM of [3H]-9-cis-RA as a radioligand in baculovirus expressed receptor |
Bioorg Med Chem Lett 6: 213-218 (1996)
Article DOI: 10.1016/0960-894X(95)00588-K BindingDB Entry DOI: 10.7270/Q2BC3ZHZ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 43 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Maximal reporter activity against human Peroxisome proliferator activated receptor gamma Gal4 chimeric in transiently transfected CV-1 cells by funct... |
Bioorg Med Chem Lett 11: 3111-3 (2001)
Article DOI: 10.1016/s0960-894x(01)00649-7 BindingDB Entry DOI: 10.7270/Q2B27TKM |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) |
Bioorg Med Chem Lett 13: 931-5 (2003)
Article DOI: 10.1016/s0960-894x(02)01029-6 BindingDB Entry DOI: 10.7270/Q2HX1C1Z |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor beta
(205/237 = 86%)† (Mus musculus) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis-RA binding to mouse Retinoid X receptor RXR beta |
Bioorg Med Chem Lett 13: 261-4 (2002)
Article DOI: 10.1016/s0960-894x(02)00924-1 BindingDB Entry DOI: 10.7270/Q29P310V |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro transactivation of human peroxisome proliferator activated receptor gamma measured in PPAR-GAL4 chimeric COS-1 cells |
Bioorg Med Chem Lett 13: 2795-8 (2003)
Article DOI: 10.1016/s0960-894x(03)00505-5 BindingDB Entry DOI: 10.7270/Q25D8R7K |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid receptor
(207/237 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Binding affinity against retinoic Acid X beta receptors cotransfected into CV-1 cells |
J Med Chem 37: 408-14 (1994)
Article DOI: 10.1021/jm00029a013 BindingDB Entry DOI: 10.7270/Q20V8BT5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor gamma/retinoic acid receptor alpha
(206/238 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Binding affinity against retinoic Acid X gamma receptors cotransfected into CV-1 cells |
J Med Chem 37: 408-14 (1994)
Article DOI: 10.1021/jm00029a013 BindingDB Entry DOI: 10.7270/Q20V8BT5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor gamma/retinoic acid receptor alpha
(206/238 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 219 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR gamma |
J Med Chem 39: 2659-63 (1996)
Article DOI: 10.1021/jm960285j BindingDB Entry DOI: 10.7270/Q2988631 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description Transcriptional activation of Retinoid X receptor RXR alpha |
J Med Chem 38: 2820-9 (1995)
Article DOI: 10.1021/jm00015a004 BindingDB Entry DOI: 10.7270/Q2FN157S |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid receptor
(207/237 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.60 | n/a | n/a | n/a | n/a |
SRI International
Curated by ChEMBL
| Assay Description Effective concentrations against Retinoic acid receptor RXR-beta |
J Med Chem 38: 3368-83 (1995)
Article DOI: 10.1021/jm00017a021 BindingDB Entry DOI: 10.7270/Q24748WR |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor gamma/retinoic acid receptor alpha
(206/238 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 4.30 | n/a | n/a | n/a | n/a |
SRI International
Curated by ChEMBL
| Assay Description Effective concentrations against Retinoic acid receptor RXR-gamma |
J Med Chem 38: 3368-83 (1995)
Article DOI: 10.1021/jm00017a021 BindingDB Entry DOI: 10.7270/Q24748WR |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 6 | n/a | n/a | n/a | n/a |
SRI International
Curated by ChEMBL
| Assay Description Effective concentration against Retinoic acid receptor RXR-alpha |
J Med Chem 38: 3368-83 (1995)
Article DOI: 10.1021/jm00017a021 BindingDB Entry DOI: 10.7270/Q24748WR |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 89 | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development
Curated by ChEMBL
| Assay Description Activation of peroxisome proliferator activated receptor gamma measured by induction of 50% of maximum alkaline phosphatase activity, transfection as... |
J Med Chem 41: 5020-36 (1999)
Checked by Author Article DOI: 10.1021/jm9804127 BindingDB Entry DOI: 10.7270/Q20K2B28 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Binding affinity against retinoic Acid X alpha receptors cotransfected into CV-1 cells |
J Med Chem 37: 408-14 (1994)
Article DOI: 10.1021/jm00029a013 BindingDB Entry DOI: 10.7270/Q20V8BT5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a |
SRI International
Curated by ChEMBL
| Assay Description Effective concentration against RXR-alpha receptor |
J Med Chem 36: 2605-13 (1993)
Article DOI: 10.1021/jm00070a003 BindingDB Entry DOI: 10.7270/Q21R6PKP |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(267/272 = 98%)† (Mus musculus) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar
| CHEBI CHEMBL PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 60 | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development
Curated by ChEMBL
| Assay Description In vitro transcriptional activation of Peroxisome proliferator activated receptor gamma (PPAR) expressed in CV-1 cells |
J Med Chem 39: 665-8 (1996)
Article DOI: 10.1021/jm950395a BindingDB Entry DOI: 10.7270/Q2H9949G |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid receptor
(207/237 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank GoogleScholar
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CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR beta |
J Med Chem 39: 2659-63 (1996)
Article DOI: 10.1021/jm960285j BindingDB Entry DOI: 10.7270/Q2988631 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 316 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Transcriptional activation in CV-1 cells expressing Retinoid X receptor RXR alpha |
J Med Chem 39: 2659-63 (1996)
Article DOI: 10.1021/jm960285j BindingDB Entry DOI: 10.7270/Q2988631 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor beta
(205/237 = 86%)† (Mus musculus) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
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CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description Dissociation constant for binding to Retinoid X receptor beta |
J Med Chem 39: 3556-63 (1996)
Article DOI: 10.1021/jm960386h BindingDB Entry DOI: 10.7270/Q2959GNV |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid receptor
(207/237 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 200 | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description Transcriptional activation of Retinoid X receptor RXR beta |
J Med Chem 39: 3556-63 (1996)
Article DOI: 10.1021/jm960386h BindingDB Entry DOI: 10.7270/Q2959GNV |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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DrugBank antibodypedia GoogleScholar
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description Transcriptional activation of Retinoid X receptor RXR alpha |
J Med Chem 39: 3556-63 (1996)
Article DOI: 10.1021/jm960386h BindingDB Entry DOI: 10.7270/Q2959GNV |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor gamma/retinoic acid receptor alpha
(206/238 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description Transcriptional activation of Retinoid X receptor RXR gamma |
J Med Chem 39: 3556-63 (1996)
Article DOI: 10.1021/jm960386h BindingDB Entry DOI: 10.7270/Q2959GNV |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor gamma
(204/238 = 86%)† (Mus musculus) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description Dissociation constant for binding to Retinoid X receptor gamma |
J Med Chem 39: 3556-63 (1996)
Article DOI: 10.1021/jm960386h BindingDB Entry DOI: 10.7270/Q2959GNV |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor alpha
(236/238 > 99%)† (Mus musculus) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description Dissociation constant for binding to Retinoid X receptor alpha |
J Med Chem 39: 3556-63 (1996)
Article DOI: 10.1021/jm960386h BindingDB Entry DOI: 10.7270/Q2959GNV |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Agonist activity at human RXR-alpha-ligand binding domain homodimers assessed as coactivator recruitment by measuring GRIP1 binding to receptor by is... |
J Med Chem 57: 5370-80 (2014)
Article DOI: 10.1021/jm5004792 BindingDB Entry DOI: 10.7270/Q2183821 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Binding affinity to human RXR-alpha-ligand binding domain homodimers by fluorescence quenching method |
J Med Chem 57: 5370-80 (2014)
Article DOI: 10.1021/jm5004792 BindingDB Entry DOI: 10.7270/Q2183821 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
NR2B Channel Blocker
(236/238 > 99%)† (RAT) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway
UniProtKB/SwissProt
GoogleScholar
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Agonist activity at RXR-alpha in rat R3KE cells infected with oncogene KLF4-ER assessed as inhibition of KLF4-mediated oncogenic transformation |
J Med Chem 57: 5370-80 (2014)
Article DOI: 10.1021/jm5004792 BindingDB Entry DOI: 10.7270/Q2183821 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
University of Alabama at Birmingham
Curated by ChEMBL
| Assay Description Agonist activity at Gal4-fused human RXR-alpha expressed in HEK293 cells assessed as receptor-mediated transcriptional activity treated 24 hrs after ... |
J Med Chem 57: 5370-80 (2014)
Article DOI: 10.1021/jm5004792 BindingDB Entry DOI: 10.7270/Q2183821 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR gamma |
Bioorg Med Chem Lett 9: 589-94 (1999)
Article DOI: 10.1016/s0960-894x(99)00048-7 BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid receptor
(207/237 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank GoogleScholar
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR beta |
Bioorg Med Chem Lett 9: 589-94 (1999)
Article DOI: 10.1016/s0960-894x(99)00048-7 BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor gamma/retinoic acid receptor alpha
(206/238 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank antibodypedia GoogleScholar
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis RA binding to Retinoid X receptor RXR gamma |
Bioorg Med Chem Lett 9: 589-94 (1999)
Article DOI: 10.1016/s0960-894x(99)00048-7 BindingDB Entry DOI: 10.7270/Q2J38RQ5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(267/272 = 98%)† (Mus musculus) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
Reactome pathway KEGG
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GoogleScholar
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 76 | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research & Development
Curated by ChEMBL
| Assay Description Agonist activity for murine PPAR gamma receptor in transcriptional activation assay |
J Med Chem 43: 527-50 (2000)
Article DOI: 10.1021/jm990554g BindingDB Entry DOI: 10.7270/Q2H994DT |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 43 | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research & Development
Curated by ChEMBL
| Assay Description Agonist activity for Human PPAR gamma receptor in transcriptional activation assay |
J Med Chem 43: 527-50 (2000)
Article DOI: 10.1021/jm990554g BindingDB Entry DOI: 10.7270/Q2H994DT |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human PPARgamma receptor expressed in african green monkey COS1 cells co-transfected with fused yeast Gal4-DBD by transactivation... |
J Med Chem 52: 4443-53 (2009)
Article DOI: 10.1021/jm900367w BindingDB Entry DOI: 10.7270/Q2028RK2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alpha |
J Med Chem 44: 2298-303 (2001)
Article DOI: 10.1021/jm0100584 BindingDB Entry DOI: 10.7270/Q2P84B41 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid receptor
(207/237 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
DrugBank GoogleScholar
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 29 | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR beta |
J Med Chem 44: 2298-303 (2001)
Article DOI: 10.1021/jm0100584 BindingDB Entry DOI: 10.7270/Q2P84B41 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid receptor
(207/237 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-beta |
J Med Chem 44: 2298-303 (2001)
Article DOI: 10.1021/jm0100584 BindingDB Entry DOI: 10.7270/Q2P84B41 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | n/a | 657 | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Binding affinity at human PPAR gamma |
J Med Chem 44: 2061-4 (2001)
Article DOI: 10.1021/jm0155188 BindingDB Entry DOI: 10.7270/Q2DZ07KH |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-alpha |
J Med Chem 44: 2298-303 (2001)
Article DOI: 10.1021/jm0100584 BindingDB Entry DOI: 10.7270/Q2P84B41 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor gamma/retinoic acid receptor alpha
(206/238 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-gamma |
J Med Chem 44: 2298-303 (2001)
Article DOI: 10.1021/jm0100584 BindingDB Entry DOI: 10.7270/Q2P84B41 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor gamma/retinoic acid receptor alpha
(206/238 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 4.5 | n/a | n/a | n/a | n/a |
Allergan Inc
Curated by ChEMBL
| Assay Description Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR gamma |
J Med Chem 44: 2298-303 (2001)
Article DOI: 10.1021/jm0100584 BindingDB Entry DOI: 10.7270/Q2P84B41 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
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| n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description In vitro transactivation using receptor transactivation assay against hPPAR gamma |
J Med Chem 45: 789-804 (2002)
Article DOI: 10.1021/jm010964g BindingDB Entry DOI: 10.7270/Q2445KSG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
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| n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description In vitro activation of human peroxisome proliferator activated receptor gamma (PPAR gamma) |
Bioorg Med Chem Lett 13: 257-60 (2002)
Article DOI: 10.1016/s0960-894x(02)00881-8 BindingDB Entry DOI: 10.7270/Q2FF3RQS |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor gamma/retinoic acid receptor alpha
(206/238 = 87%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
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| n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis-RA binding to human Retinoid X receptor RXR gamma |
Bioorg Med Chem Lett 13: 261-4 (2002)
Article DOI: 10.1016/s0960-894x(02)00924-1 BindingDB Entry DOI: 10.7270/Q29P310V |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoid X receptor gamma
(204/238 = 86%)† (Mus musculus) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 124 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Transcriptional activation in CV-1 cells expresing mouse Retinoid X receptor RXR gamma |
Bioorg Med Chem Lett 13: 261-4 (2002)
Article DOI: 10.1016/s0960-894x(02)00924-1 BindingDB Entry DOI: 10.7270/Q29P310V |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of [3H]-9-cis-RA binding to human Retinoid X receptor RXR alpha |
Bioorg Med Chem Lett 13: 261-4 (2002)
Article DOI: 10.1016/s0960-894x(02)00924-1 BindingDB Entry DOI: 10.7270/Q29P310V |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a |
Universidade de Vigo
Curated by ChEMBL
| Assay Description Dissociation constant for binding to Retinoic acid receptor RXR-alpha |
Bioorg Med Chem Lett 12: 2607-9 (2002)
Article DOI: 10.1016/s0960-894x(02)00477-8 BindingDB Entry DOI: 10.7270/Q2BG2NBN |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Transcriptional activation by human PPAR delta |
Bioorg Med Chem Lett 13: 1277-80 (2003)
Article DOI: 10.1016/s0960-894x(03)00115-x BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 20 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro agonist activity tested for transactivation in human PPAR gamma-Gal4 chimeric COS-1 cells |
Bioorg Med Chem Lett 13: 1801-4 (2003)
Article DOI: 10.1016/s0960-894x(03)00257-9 BindingDB Entry DOI: 10.7270/Q2H994K2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 120 | n/a | n/a | n/a | n/a |
Johnson and Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Agonistic activity against PPAR (peroxisome proliferator activated receptor gamma) in Suarus chinesis |
J Med Chem 47: 196-209 (2003)
Article DOI: 10.1021/jm0301888 BindingDB Entry DOI: 10.7270/Q29Z9495 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM50030474
 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 39 | n/a | n/a | n/a | n/a |
Universit£"G. d'Annunzio"
Curated by ChEMBL
| Assay Description Agonist activity at human GAL4-PPARgamma ligand binding domain expressed in human HepG2 cells by luciferase reporter gene assay |
Eur J Med Chem 89: 817-25 (2014)
Article DOI: 10.1016/j.ejmech.2014.10.083 BindingDB Entry DOI: 10.7270/Q2862J2F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM50030474
 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Phenex Pharmaceuticals AG
Curated by ChEMBL
| Assay Description Agonist activity at human PPARgamma expressed in HEK293 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 24: 5265-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.053 BindingDB Entry DOI: 10.7270/Q2S46TKZ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Retinoic acid receptor RXR-alpha
(238/238 = 100%)† (Homo sapiens (Human)) | BDBM31892
 (9-cis retinoic acid | 9C-RA | CHEMBL705 | Panretin...)Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C\C=C\C(\C)=C\C(O)=O Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8-,16-14+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a |
Phenex Pharmaceuticals AG
Curated by ChEMBL
| Assay Description Agonist activity at human RXRalpha expressed in HEK293 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 24: 5265-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.053 BindingDB Entry DOI: 10.7270/Q2S46TKZ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 160 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description In vitro transactivation of human Peroxisome proliferator activated receptor gamma |
J Med Chem 46: 4883-94 (2003)
Article DOI: 10.1021/jm0309046 BindingDB Entry DOI: 10.7270/Q2222T5V |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma
(267/272 = 98%)† (Mus musculus) | BDBM50030474
 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23) | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
Institute of Chinese Materia Medica
Curated by ChEMBL
| Assay Description Agonist activity at mouse PPARgamma expressed in HEK293 cells co-expressing with Gal4 reporter vector after 24 hrs by dual-luciferase reporter assay |
J Nat Prod 77: 1594-600 (2014)
Article DOI: 10.1021/np500150f BindingDB Entry DOI: 10.7270/Q2D2208C |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| n/a | n/a | n/a | n/a | 2.88E+3 | n/a | n/a | n/a | n/a |
Research Institute of Tsinghua University
Curated by ChEMBL
| Assay Description In vitro transcription activation on human peroxisome proliferator activated receptor-gamma (PPAR gamma) |
Bioorg Med Chem Lett 14: 3507-11 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.053 BindingDB Entry DOI: 10.7270/Q2RF5TG1 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Peroxisome proliferator-activated receptor
(272/272 = 100%)† (Homo sapiens (Human)) | BDBM28681
 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL
|