Found 36 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50111008
(5-{3-[4-(5-Methyl-2-phenyl-thiazol-4-ylmethoxy)-ph...)Show SMILES Cc1sc(nc1COc1ccc(CCCc2oc(=O)[nH]c2O)cc1)-c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-15-19(24-22(30-15)17-7-3-2-4-8-17)14-28-18-12-10-16(11-13-18)6-5-9-20-21(26)25-23(27)29-20/h2-4,7-8,10-13,26H,5-6,9,14H2,1H3,(H,25,27) | PDB
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Takeda Chemical Industries, Ltd.
Curated by ChEMBL
| Assay Description
Transcriptional activation in COS cells expressing PPAR gamma and RXR alpha |
J Med Chem 45: 1518-34 (2002)
BindingDB Entry DOI: 10.7270/Q2SJ1JXC |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50204012
(CHEMBL3955132)Show SMILES COc1cccc2CCCN(Cc3ccc(COc4ccc(cc4)[C@H](CC(O)=O)C#CC)s3)c12 |r| Show InChI InChI=1S/C28H29NO4S/c1-3-6-22(17-27(30)31)20-10-12-23(13-11-20)33-19-25-15-14-24(34-25)18-29-16-5-8-21-7-4-9-26(32-2)28(21)29/h4,7,9-15,22H,5,8,16-19H2,1-2H3,(H,30,31)/t22-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human CMV-fused PPARgamma LBD/RXRalpha (unknown origin) expressed in African green monkey CV1 cells transfected with luciferase p... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129720
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11- | PDB
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| n/a | n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129725
((2E,4E,6Z)-7-(2-Butoxy-3,5-diisopropyl-phenyl)-3-m...)Show SMILES CCCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C Show InChI InChI=1S/C25H36O3/c1-8-9-13-28-25-22(18(4)5)15-21(17(2)3)16-23(25)20(7)12-10-11-19(6)14-24(26)27/h10-12,14-18H,8-9,13H2,1-7H3,(H,26,27)/b11-10+,19-14+,20-12- | PDB
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Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129723
(7-[2-(2-Fluoro-ethoxy)-3,5-diisopropyl-phenyl]-3-m...)Show SMILES CC(C)c1cc(C(C)C)c(OCCF)c(c1)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C23H31FO3/c1-15(2)19-13-20(16(3)4)23(27-11-10-24)21(14-19)18(6)9-7-8-17(5)12-22(25)26/h7-9,12-16H,10-11H2,1-6H3,(H,25,26)/b8-7+,17-12+,18-9- | PDB
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Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129721
(7-[2-(2,2-Difluoro-ethoxy)-3,5-bis-(1,1-dimethyl-p...)Show SMILES CCC(C)(C)c1cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c(OCC(F)F)c(c1)C(C)(C)CC Show InChI InChI=1S/C27H38F2O3/c1-9-26(5,6)20-15-21(19(4)13-11-12-18(3)14-24(30)31)25(32-17-23(28)29)22(16-20)27(7,8)10-2/h11-16,23H,9-10,17H2,1-8H3,(H,30,31)/b12-11+,18-14+,19-13- | PDB
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Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129731
(7-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phenyl]...)Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C23H30F2O3/c1-14(2)18-11-19(15(3)4)23(28-13-21(24)25)20(12-18)17(6)9-7-8-16(5)10-22(26)27/h7-12,14-15,21H,13H2,1-6H3,(H,26,27)/b8-7+,16-10+,17-9- | PDB
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Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129729
(7-[3,5-Bis-(1,1-dimethyl-propyl)-2-propoxy-phenyl]...)Show SMILES CCCOc1c(cc(cc1C(C)(C)CC)C(C)(C)CC)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C28H42O3/c1-10-16-31-26-23(21(5)15-13-14-20(4)17-25(29)30)18-22(27(6,7)11-2)19-24(26)28(8,9)12-3/h13-15,17-19H,10-12,16H2,1-9H3,(H,29,30)/b14-13+,20-17+,21-15- | PDB
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Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129717
(7-(3,5-Diisopropyl-2-methoxy-phenyl)-3-methyl-octa...)Show SMILES COc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C Show InChI InChI=1S/C22H30O3/c1-14(2)18-12-19(15(3)4)22(25-7)20(13-18)17(6)10-8-9-16(5)11-21(23)24/h8-15H,1-7H3,(H,23,24)/b9-8+,16-11+,17-10- | PDB
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Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129726
((2E,4E,6Z)-7-(2-Ethoxy-3,5-diisopropyl-phenyl)-3-m...)Show SMILES CCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C Show InChI InChI=1S/C23H32O3/c1-8-26-23-20(16(4)5)13-19(15(2)3)14-21(23)18(7)11-9-10-17(6)12-22(24)25/h9-16H,8H2,1-7H3,(H,24,25)/b10-9+,17-12+,18-11- | PDB
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Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129733
(7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-phen...)Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)(F)F)c(c1)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C23H29F3O3/c1-14(2)18-11-19(15(3)4)22(29-13-23(24,25)26)20(12-18)17(6)9-7-8-16(5)10-21(27)28/h7-12,14-15H,13H2,1-6H3,(H,27,28)/b8-7+,16-10+,17-9- | PDB
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Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50032671
(6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPH...)Show SMILES Cc1cc2c(cc1C1(CC1)c1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C Show InChI InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27) | PDB
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Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129722
(7-[3,5-Bis-(1,1-dimethyl-propyl)-2-ethoxy-phenyl]-...)Show SMILES CCOc1c(cc(cc1C(C)(C)CC)C(C)(C)CC)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C27H40O3/c1-10-26(6,7)21-17-22(20(5)15-13-14-19(4)16-24(28)29)25(30-12-3)23(18-21)27(8,9)11-2/h13-18H,10-12H2,1-9H3,(H,28,29)/b14-13+,19-16+,20-15- | PDB
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Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129728
((2E,4E,6Z)-7-(3,5-Di-tert-butyl-2-ethoxy-phenyl)-3...)Show SMILES CCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C25H36O3/c1-10-28-23-20(18(3)13-11-12-17(2)14-22(26)27)15-19(24(4,5)6)16-21(23)25(7,8)9/h11-16H,10H2,1-9H3,(H,26,27)/b12-11+,17-14+,18-13- | PDB
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Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129727
(7-[3,5-Di-tert-butyl-2-(2,2,2-trifluoro-ethoxy)-ph...)Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O Show InChI InChI=1S/C25H33F3O3/c1-16(12-21(29)30)10-9-11-17(2)19-13-18(23(3,4)5)14-20(24(6,7)8)22(19)31-15-25(26,27)28/h9-14H,15H2,1-8H3,(H,29,30)/b10-9+,16-12+,17-11- | PDB
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Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129730
(7-[3,5-Bis-(1,1-dimethyl-propyl)-2-methoxy-phenyl]...)Show SMILES CCC(C)(C)c1cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c(OC)c(c1)C(C)(C)CC Show InChI InChI=1S/C26H38O3/c1-10-25(5,6)20-16-21(19(4)14-12-13-18(3)15-23(27)28)24(29-9)22(17-20)26(7,8)11-2/h12-17H,10-11H2,1-9H3,(H,27,28)/b13-12+,18-15+,19-14- | PDB
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Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129718
(7-(3,5-Di-tert-butyl-2-propoxy-phenyl)-3-methyl-oc...)Show SMILES CCCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C26H38O3/c1-10-14-29-24-21(19(3)13-11-12-18(2)15-23(27)28)16-20(25(4,5)6)17-22(24)26(7,8)9/h11-13,15-17H,10,14H2,1-9H3,(H,27,28)/b12-11+,18-15+,19-13- | PDB
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Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129719
(7-(3,5-Di-tert-butyl-2-methoxy-phenyl)-3-methyl-oc...)Show SMILES COc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C24H34O3/c1-16(13-21(25)26)11-10-12-17(2)19-14-18(23(3,4)5)15-20(22(19)27-9)24(6,7)8/h10-15H,1-9H3,(H,25,26)/b11-10+,16-13+,17-12- | PDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 7 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50049240
((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...)Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,22H,2,9-11H2,1H3,(H,21,23) | PDB
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| n/a | n/a | n/a | n/a | 490 | n/a | n/a | n/a | n/a |
Takeda Chemical Industries, Ltd.
Curated by ChEMBL
| Assay Description
Transcriptional activation in COS cells expressing PPAR gamma and RXR alpha; values in the parentheses indicates 95% confidence interval |
J Med Chem 45: 1518-34 (2002)
BindingDB Entry DOI: 10.7270/Q2SJ1JXC |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50111006
(5-{3-[4-(2-Furan-2-yl-5-methyl-oxazol-4-ylmethoxy)...)Show SMILES COc1cc(CCCc2oc(=O)[nH]c2O)ccc1OCc1nc(oc1C)-c1ccco1 Show InChI InChI=1S/C22H22N2O7/c1-13-15(23-21(30-13)18-7-4-10-28-18)12-29-16-9-8-14(11-19(16)27-2)5-3-6-17-20(25)24-22(26)31-17/h4,7-11,25H,3,5-6,12H2,1-2H3,(H,24,26) | PDB
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| n/a | n/a | n/a | n/a | 8.87 | n/a | n/a | n/a | n/a |
Takeda Chemical Industries, Ltd.
Curated by ChEMBL
| Assay Description
Transcriptional activation in COS cells expressing PPAR gamma and RXR alpha |
J Med Chem 45: 1518-34 (2002)
BindingDB Entry DOI: 10.7270/Q2SJ1JXC |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50111007
(5-{3-[6-(5-Methyl-2-phenyl-oxazol-4-ylmethoxy)-pyr...)Show SMILES Cc1oc(nc1COc1ccc(CCCc2oc(=O)[nH]c2O)cn1)-c1ccccc1 Show InChI InChI=1S/C22H21N3O5/c1-14-17(24-21(29-14)16-7-3-2-4-8-16)13-28-19-11-10-15(12-23-19)6-5-9-18-20(26)25-22(27)30-18/h2-4,7-8,10-12,26H,5-6,9,13H2,1H3,(H,25,27) | PDB
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Takeda Chemical Industries, Ltd.
Curated by ChEMBL
| Assay Description
Transcriptional activation in COS cells expressing PPAR gamma and RXR alpha |
J Med Chem 45: 1518-34 (2002)
BindingDB Entry DOI: 10.7270/Q2SJ1JXC |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50111008
(5-{3-[4-(5-Methyl-2-phenyl-thiazol-4-ylmethoxy)-ph...)Show SMILES Cc1sc(nc1COc1ccc(CCCc2oc(=O)[nH]c2O)cc1)-c1ccccc1 Show InChI InChI=1S/C23H22N2O4S/c1-15-19(24-22(30-15)17-7-3-2-4-8-17)14-28-18-12-10-16(11-13-18)6-5-9-20-21(26)25-23(27)29-20/h2-4,7-8,10-13,26H,5-6,9,14H2,1H3,(H,25,27) | PDB
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Takeda Chemical Industries, Ltd.
Curated by ChEMBL
| Assay Description
Transcriptional activation in COS cells expressing PPAR gamma and RXR alpha |
J Med Chem 45: 1518-34 (2002)
BindingDB Entry DOI: 10.7270/Q2SJ1JXC |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50111009
(5-{3-[4-(5-Methyl-2-phenyl-oxazol-4-ylmethoxy)-phe...)Show SMILES Cc1oc(nc1COc1ccc(CCCc2oc(=O)[nH]c2O)cc1)-c1ccccc1 Show InChI InChI=1S/C23H22N2O5/c1-15-19(24-22(29-15)17-7-3-2-4-8-17)14-28-18-12-10-16(11-13-18)6-5-9-20-21(26)25-23(27)30-20/h2-4,7-8,10-13,26H,5-6,9,14H2,1H3,(H,25,27) | PDB
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Takeda Chemical Industries, Ltd.
Curated by ChEMBL
| Assay Description
Transcriptional activation in COS cells expressing PPAR gamma and RXR alpha |
J Med Chem 45: 1518-34 (2002)
BindingDB Entry DOI: 10.7270/Q2SJ1JXC |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50111010
(5-{3-[4-(5-Methyl-2-naphthalen-2-yl-oxazol-4-ylmet...)Show SMILES Cc1oc(nc1COc1ccc(CCCc2oc(=O)[nH]c2O)cc1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C27H24N2O5/c1-17-23(28-26(33-17)21-12-11-19-6-2-3-7-20(19)15-21)16-32-22-13-9-18(10-14-22)5-4-8-24-25(30)29-27(31)34-24/h2-3,6-7,9-15,30H,4-5,8,16H2,1H3,(H,29,31) | PDB
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Takeda Chemical Industries, Ltd.
Curated by ChEMBL
| Assay Description
Transcriptional activation in COS cells expressing PPAR gamma and RXR alpha |
J Med Chem 45: 1518-34 (2002)
BindingDB Entry DOI: 10.7270/Q2SJ1JXC |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50132584
((2Z,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C(\F)C(O)=O Show InChI InChI=1S/C25H33F3O3/c1-15(10-9-11-16(2)21(28)23(29)30)18-12-17(24(3,4)5)13-19(25(6,7)8)22(18)31-14-20(26)27/h9-13,20H,14H2,1-8H3,(H,29,30)/b11-9+,15-10-,21-16- | PDB
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| n/a | n/a | n/a | n/a | 2.70 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against Retinoic acid receptor RXR-alpha expressed in CV-1 cell transcriptional activation assay |
Bioorg Med Chem Lett 13: 3191-5 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q9T |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129728
((2E,4E,6Z)-7-(3,5-Di-tert-butyl-2-ethoxy-phenyl)-3...)Show SMILES CCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C25H36O3/c1-10-28-23-20(18(3)13-11-12-17(2)14-22(26)27)15-19(24(4,5)6)16-21(23)25(7,8)9/h11-16H,10H2,1-9H3,(H,26,27)/b12-11+,17-14+,18-13- | PDB
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| n/a | n/a | n/a | n/a | 2 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against Retinoic acid receptor RXR-alpha expressed in CV-1 cell transcriptional activation assay |
Bioorg Med Chem Lett 13: 3191-5 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q9T |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50132583
((2E,4E,6E)-7-(3,5-Di-tert-butyl-2-ethoxy-phenyl)-8...)Show SMILES CCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(=C/C=C/C(/C)=C/C(O)=O)\C(F)(F)F Show InChI InChI=1S/C25H33F3O3/c1-9-31-22-18(14-17(23(3,4)5)15-20(22)24(6,7)8)19(25(26,27)28)12-10-11-16(2)13-21(29)30/h10-15H,9H2,1-8H3,(H,29,30)/b11-10+,16-13+,19-12+ | PDB
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| n/a | n/a | n/a | n/a | 167 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 3[H]-9-cis-retinoic acid binding to Retinoic acid receptor RXR-alpha expressed in CV-1 cells |
Bioorg Med Chem Lett 13: 3191-5 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q9T |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50132585
((2E,4Z,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)Show SMILES C\C(=C/C(O)=O)\C(\F)=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C25H33F3O3/c1-15(9-10-20(26)16(2)11-22(29)30)18-12-17(24(3,4)5)13-19(25(6,7)8)23(18)31-14-21(27)28/h9-13,21H,14H2,1-8H3,(H,29,30)/b15-9-,16-11+,20-10- | PDB
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| n/a | n/a | n/a | n/a | 143 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Synergistic activation of BRL49653 mediated PPAR gamma and retinoid X receptor alpha expressed in CV-1 cell transcriptional activation assay |
Bioorg Med Chem Lett 13: 3191-5 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q9T |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50132581
((2E,4Z,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)Show SMILES C\C(=C/C(O)=O)\C=C(/F)\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C Show InChI InChI=1S/C25H33F3O3/c1-15(10-22(29)30)9-18(26)11-16(2)19-12-17(24(3,4)5)13-20(25(6,7)8)23(19)31-14-21(27)28/h9-13,21H,14H2,1-8H3,(H,29,30)/b15-10+,16-11-,18-9- | PDB
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| n/a | n/a | n/a | n/a | 249 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Synergistic activation of BRL49653 mediated PPAR gamma and retinoid X receptor alpha expressed in CV-1 cell transcriptional activation assay |
Bioorg Med Chem Lett 13: 3191-5 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q9T |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50132582
((2Z,4E,6Z)-7-(2-Butoxy-3,5-di-tert-butyl-phenyl)-3...)Show SMILES CCCCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(=C/C(O)=O)/C(F)(F)F Show InChI InChI=1S/C27H37F3O3/c1-9-10-14-33-24-21(15-20(25(3,4)5)16-22(24)26(6,7)8)18(2)12-11-13-19(17-23(31)32)27(28,29)30/h11-13,15-17H,9-10,14H2,1-8H3,(H,31,32)/b13-11+,18-12-,19-17- | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Antagonist activity against Retinoic acid receptor RXR-alpha expressed in CV-1 cell transcriptional activation assay |
Bioorg Med Chem Lett 13: 3191-5 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q9T |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50132580
((2E,4E,6E)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)Show SMILES C\C(\C=C\C(\F)=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O Show InChI InChI=1S/C25H33F3O3/c1-15(11-22(29)30)9-10-20(26)16(2)18-12-17(24(3,4)5)13-19(25(6,7)8)23(18)31-14-21(27)28/h9-13,21H,14H2,1-8H3,(H,29,30)/b10-9+,15-11+,20-16+ | PDB
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| n/a | n/a | n/a | n/a | 6.40 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 3[H]-9-cis-retinoic acid binding to Retinoic acid receptor RXR-alpha expressed in CV-1 cells |
Bioorg Med Chem Lett 13: 3191-5 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q9T |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129720
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11- | PDB
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| n/a | n/a | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of 3[H]-9-cis-retinoic acid binding to Retinoic acid receptor RXR-alpha expressed in CV-1 cells |
Bioorg Med Chem Lett 13: 3191-5 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q9T |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50132579
((2E,4E,6Z)-7-(2-Butoxy-3,5-di-tert-butyl-phenyl)-3...)Show SMILES CCCCOc1c(cc(cc1C(C)(C)C)C(C)(C)C)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C27H40O3/c1-10-11-15-30-25-22(20(3)14-12-13-19(2)16-24(28)29)17-21(26(4,5)6)18-23(25)27(7,8)9/h12-14,16-18H,10-11,15H2,1-9H3,(H,28,29)/b13-12+,19-16+,20-14- | PDB
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| n/a | n/a | n/a | n/a | 9.20 | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Synergistic activation of BRL49653 mediated PPAR gamma and retinoid X receptor alpha expressed in CV-1 cell transcriptional activation assay |
Bioorg Med Chem Lett 13: 3191-5 (2003)
BindingDB Entry DOI: 10.7270/Q2736Q9T |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50200369
(CHEMBL3915620)Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CC3)C=Cc3ccccc43)cc2)cc1 |r,c:26| Show InChI InChI=1S/C33H33NO3/c1-2-5-29(22-32(35)36)27-12-14-30(15-13-27)37-24-26-10-8-25(9-11-26)23-34-20-18-33(19-21-34)17-16-28-6-3-4-7-31(28)33/h3-4,6-17,29H,18-24H2,1H3,(H,35,36)/t29-/m0/s1 | PDB
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| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Agonist activity at human CMV-fused PPARgamma LBD/RXRalpha (unknown origin) expressed in African green monkey CV1 cells transfected with luciferase p... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50563863
(CHEMBL4787498)Show SMILES CC#C[C@@H](CC(O)=O)c1ccc(OCc2ccc(CN3CCC4(CCc5ccccc45)CC3)s2)cc1 |r| | PDB
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TBA
| Assay Description
Agonist activity at human CMV-fused PPARgamma LBD/RXRalpha (unknown origin) expressed in African green monkey CV1 cells transfected with luciferase p... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.6b00892
BindingDB Entry DOI: 10.7270/Q2GH9NPC |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma/Retinoic acid receptor RXR-alpha
(Homo sapiens (Human)) | BDBM50129724
(7-(3,5-Diisopropyl-2-propoxy-phenyl)-3-methyl-octa...)Show SMILES CCCOc1c(cc(cc1\C(C)=C/C=C/C(/C)=C/C(O)=O)C(C)C)C(C)C Show InChI InChI=1S/C24H34O3/c1-8-12-27-24-21(17(4)5)14-20(16(2)3)15-22(24)19(7)11-9-10-18(6)13-23(25)26/h9-11,13-17H,8,12H2,1-7H3,(H,25,26)/b10-9+,18-13+,19-11- | PDB
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Ligand Pharmaceuticals, Inc
Curated by ChEMBL
| Assay Description
Transcriptional activity against RXR:PPAR-gamma synergy was determined in vitro |
J Med Chem 46: 2683-96 (2003)
Article DOI: 10.1021/jm020340q
BindingDB Entry DOI: 10.7270/Q27H1HZ3 |
More data for this
Ligand-Target Pair | |
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