Found 798 hits of ic50 for UniProtKB: Q03181 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50127222
(CHEMBL38508 | GW-0742 | {4-[2-(3-Fluoro-4-trifluor...)Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F Show InChI InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human PPAR delta receptor |
Bioorg Med Chem Lett 13: 1517-21 (2003)
BindingDB Entry DOI: 10.7270/Q2VQ322G |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM28661
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Binding affinity for human PPAR delta receptor |
Bioorg Med Chem Lett 13: 1517-21 (2003)
BindingDB Entry DOI: 10.7270/Q2VQ322G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50415440
(CHEMBL598608 | GSK-3787)Show SMILES FC(F)(F)c1ccc(nc1)S(=O)(=O)CCNC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClF3N2O3S/c16-12-4-1-10(2-5-12)14(22)20-7-8-25(23,24)13-6-3-11(9-21-13)15(17,18)19/h1-6,9H,7-8H2,(H,20,22) | PDB
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oslo
Curated by ChEMBL
| Assay Description
Binding affinity to GST-PPAR-beta/delta LBP (unknown origin) after 24 hrs by TR-FRET assay |
Bioorg Med Chem 24: 247-60 (2016)
Article DOI: 10.1016/j.bmc.2015.12.012
BindingDB Entry DOI: 10.7270/Q2Z89F70 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50212693
(2-(4-(4-(4-(trifluoromethyl)benzyloxy)benzylthio)-...)Show SMILES COc1cc(OCC(O)=O)c(C)cc1SCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C25H23F3O5S/c1-16-11-23(22(31-2)12-21(16)33-14-24(29)30)34-15-18-5-9-20(10-6-18)32-13-17-3-7-19(8-4-17)25(26,27)28/h3-12H,13-15H2,1-2H3,(H,29,30) | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA assay |
Bioorg Med Chem Lett 17: 3624-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.046
BindingDB Entry DOI: 10.7270/Q2S1826N |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50212693
(2-(4-(4-(4-(trifluoromethyl)benzyloxy)benzylthio)-...)Show SMILES COc1cc(OCC(O)=O)c(C)cc1SCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C25H23F3O5S/c1-16-11-23(22(31-2)12-21(16)33-14-24(29)30)34-15-18-5-9-20(10-6-18)32-13-17-3-7-19(8-4-17)25(26,27)28/h3-12H,13-15H2,1-2H3,(H,29,30) | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50212693
(2-(4-(4-(4-(trifluoromethyl)benzyloxy)benzylthio)-...)Show SMILES COc1cc(OCC(O)=O)c(C)cc1SCc1ccc(OCc2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C25H23F3O5S/c1-16-11-23(22(31-2)12-21(16)33-14-24(29)30)34-15-18-5-9-20(10-6-18)32-13-17-3-7-19(8-4-17)25(26,27)28/h3-12H,13-15H2,1-2H3,(H,29,30) | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50212698
(2-(7-(2-(4-(trifluoromethyl)benzyloxy)-5-fluoroben...)Show SMILES OC(=O)COc1ccc(SCc2cc(F)ccc2OCc2ccc(cc2)C(F)(F)F)c2CCCc12 Show InChI InChI=1S/C26H22F4O4S/c27-19-8-9-22(33-13-16-4-6-18(7-5-16)26(28,29)30)17(12-19)15-35-24-11-10-23(34-14-25(31)32)20-2-1-3-21(20)24/h4-12H,1-3,13-15H2,(H,31,32) | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA assay |
Bioorg Med Chem Lett 17: 3624-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.046
BindingDB Entry DOI: 10.7270/Q2S1826N |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50199773
(3-(4-((R)-3-(4-chloro-2-(pyridin-2-yl)phenoxy)buto...)Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1-c1ccccn1 Show InChI InChI=1S/C25H26ClNO4/c1-17-15-21(9-6-19(17)7-11-25(28)29)30-14-12-18(2)31-24-10-8-20(26)16-22(24)23-5-3-4-13-27-23/h3-6,8-10,13,15-16,18H,7,11-12,14H2,1-2H3,(H,28,29)/t18-/m1/s1 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta |
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 | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM28661
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27) | PDB
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Article
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| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA |
Bioorg Med Chem Lett 17: 3630-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.047
BindingDB Entry DOI: 10.7270/Q2ZK5GBB |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50213331
(2-(5-((4-methyl-2-(trifluoromethyl)thiazol-5-yl)me...)Show InChI InChI=1S/C16H13F3N2O2S2/c1-9-13(25-15(20-9)16(17,18)19)8-24-11-2-3-12-10(6-11)4-5-21(12)7-14(22)23/h2-6H,7-8H2,1H3,(H,22,23) | PDB
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| Article
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| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA |
Bioorg Med Chem Lett 17: 3630-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.047
BindingDB Entry DOI: 10.7270/Q2ZK5GBB |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227761
(2-(4-(3-fluoro-5-((2-fluoro-4-(trifluoromethyl)ben...)Show SMILES Cc1cc(Oc2cc(F)cc(CNC(=O)c3ccc(cc3F)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O Show InChI InChI=1S/C26H22F5NO5/c1-14-8-18(5-7-22(14)37-25(2,3)24(34)35)36-19-10-15(9-17(27)12-19)13-32-23(33)20-6-4-16(11-21(20)28)26(29,30)31/h4-12H,13H2,1-3H3,(H,32,33)(H,34,35) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50127221
(CHEMBL289887 | {2-Methyl-4-[4-methyl-2-(4-trifluor...)Show SMILES Cc1nc(oc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO4S/c1-12-9-16(7-8-17(12)28-10-19(26)27)30-11-18-13(2)25-20(29-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27) | PDB
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PC sid
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description
Maximum transcriptional activation of human PPAR delta receptor |
Bioorg Med Chem Lett 13: 1517-21 (2003)
BindingDB Entry DOI: 10.7270/Q2VQ322G |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50199778
(3-(4-((R)-3-(4-ethyl-2-(thiazol-4-yl)phenoxy)butox...)Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cscn1 Show InChI InChI=1S/C25H29NO4S/c1-4-19-5-9-24(22(14-19)23-15-31-16-26-23)30-18(3)11-12-29-21-8-6-20(17(2)13-21)7-10-25(27)28/h5-6,8-9,13-16,18H,4,7,10-12H2,1-3H3,(H,27,28)/t18-/m1/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50199779
(3-(4-((R)-3-(4-ethyl-2-(pyridin-2-yl)phenoxy)butox...)Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccccn1 Show InChI InChI=1S/C27H31NO4/c1-4-21-8-12-26(24(18-21)25-7-5-6-15-28-25)32-20(3)14-16-31-23-11-9-22(19(2)17-23)10-13-27(29)30/h5-9,11-12,15,17-18,20H,4,10,13-14,16H2,1-3H3,(H,29,30)/t20-/m1/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50199776
(3-(2-ethyl-4-((R)-3-(4-ethyl-2-(pyridin-2-yl)pheno...)Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(CC)c2)c(c1)-c1ccccn1 Show InChI InChI=1S/C28H33NO4/c1-4-21-9-13-27(25(18-21)26-8-6-7-16-29-26)33-20(3)15-17-32-24-12-10-23(11-14-28(30)31)22(5-2)19-24/h6-10,12-13,16,18-20H,4-5,11,14-15,17H2,1-3H3,(H,30,31)/t20-/m1/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227746
(3-(4-(3-((5-chloro-1H-indole-2-carboxamido)methyl)...)Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)c2)ccc1CCC(O)=O Show InChI InChI=1S/C26H23ClN2O4/c1-16-11-22(8-5-18(16)6-10-25(30)31)33-21-4-2-3-17(12-21)15-28-26(32)24-14-19-13-20(27)7-9-23(19)29-24/h2-5,7-9,11-14,29H,6,10,15H2,1H3,(H,28,32)(H,30,31) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50199781
(3-(2-ethyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluoro...)Show SMILES CCc1cc(OCC[C@@H](C)Oc2ccc(cc2-c2ccccn2)C(F)(F)F)ccc1CCC(O)=O Show InChI InChI=1S/C27H28F3NO4/c1-3-19-16-22(10-7-20(19)8-12-26(32)33)34-15-13-18(2)35-25-11-9-21(27(28,29)30)17-23(25)24-6-4-5-14-31-24/h4-7,9-11,14,16-18H,3,8,12-13,15H2,1-2H3,(H,32,33)/t18-/m1/s1 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227736
(2-(4-(5-((2-fluoro-4-(trifluoromethyl)benzamido)me...)Show SMILES Cc1ccc(CNC(=O)c2ccc(cc2F)C(F)(F)F)cc1Oc1ccc(OC(C)(C)C(O)=O)c(C)c1 Show InChI InChI=1S/C27H25F4NO5/c1-15-5-6-17(14-32-24(33)20-9-7-18(13-21(20)28)27(29,30)31)12-23(15)36-19-8-10-22(16(2)11-19)37-26(3,4)25(34)35/h5-13H,14H2,1-4H3,(H,32,33)(H,34,35) | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227736
(2-(4-(5-((2-fluoro-4-(trifluoromethyl)benzamido)me...)Show SMILES Cc1ccc(CNC(=O)c2ccc(cc2F)C(F)(F)F)cc1Oc1ccc(OC(C)(C)C(O)=O)c(C)c1 Show InChI InChI=1S/C27H25F4NO5/c1-15-5-6-17(14-32-24(33)20-9-7-18(13-21(20)28)27(29,30)31)12-23(15)36-19-8-10-22(16(2)11-19)37-26(3,4)25(34)35/h5-13H,14H2,1-4H3,(H,32,33)(H,34,35) | PDB
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Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227738
(2-(4-(4-fluoro-3-((2-fluoro-4-(trifluoromethyl)ben...)Show SMILES Cc1cc(Oc2ccc(F)c(CNC(=O)c3ccc(cc3F)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O Show InChI InChI=1S/C26H22F5NO5/c1-14-10-17(6-9-22(14)37-25(2,3)24(34)35)36-18-5-8-20(27)15(11-18)13-32-23(33)19-7-4-16(12-21(19)28)26(29,30)31/h4-12H,13H2,1-3H3,(H,32,33)(H,34,35) | PDB
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Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227738
(2-(4-(4-fluoro-3-((2-fluoro-4-(trifluoromethyl)ben...)Show SMILES Cc1cc(Oc2ccc(F)c(CNC(=O)c3ccc(cc3F)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O Show InChI InChI=1S/C26H22F5NO5/c1-14-10-17(6-9-22(14)37-25(2,3)24(34)35)36-18-5-8-20(27)15(11-18)13-32-23(33)19-7-4-16(12-21(19)28)26(29,30)31/h4-12H,13H2,1-3H3,(H,32,33)(H,34,35) | PDB
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Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227745
(2-(4-(3-((2-bromo-4-(trifluoromethyl)benzamido)met...)Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccc(cc3Br)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O Show InChI InChI=1S/C26H23BrF3NO5/c1-15-11-19(8-10-22(15)36-25(2,3)24(33)34)35-18-6-4-5-16(12-18)14-31-23(32)20-9-7-17(13-21(20)27)26(28,29)30/h4-13H,14H2,1-3H3,(H,31,32)(H,33,34) | PDB
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Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227743
(2-methyl-2-(2-methyl-4-(3-((2-methyl-4-(trifluorom...)Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccc(cc3C)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O Show InChI InChI=1S/C27H26F3NO5/c1-16-12-19(27(28,29)30)8-10-22(16)24(32)31-15-18-6-5-7-20(14-18)35-21-9-11-23(17(2)13-21)36-26(3,4)25(33)34/h5-14H,15H2,1-4H3,(H,31,32)(H,33,34) | PDB
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Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227759
(3-(4-(3-((6-chloro-1H-indole-2-carboxamido)methyl)...)Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4ccc(Cl)cc4[nH]3)c2)ccc1CCC(O)=O Show InChI InChI=1S/C26H23ClN2O4/c1-16-11-22(9-6-18(16)7-10-25(30)31)33-21-4-2-3-17(12-21)15-28-26(32)24-13-19-5-8-20(27)14-23(19)29-24/h2-6,8-9,11-14,29H,7,10,15H2,1H3,(H,28,32)(H,30,31) | PDB
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Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227752
(2-(4-(3-((2-chloro-4-(trifluoromethyl)benzamido)me...)Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccc(cc3Cl)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O Show InChI InChI=1S/C26H23ClF3NO5/c1-15-11-19(8-10-22(15)36-25(2,3)24(33)34)35-18-6-4-5-16(12-18)14-31-23(32)20-9-7-17(13-21(20)27)26(28,29)30/h4-13H,14H2,1-3H3,(H,31,32)(H,33,34) | PDB
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Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227765
(3-(4-(3-((5-chloro-3-methyl-1H-indole-2-carboxamid...)Show SMILES Cc1c([nH]c2ccc(Cl)cc12)C(=O)NCc1cccc(Oc2ccc(CCC(O)=O)c(C)c2)c1 Show InChI InChI=1S/C27H25ClN2O4/c1-16-12-22(9-6-19(16)7-11-25(31)32)34-21-5-3-4-18(13-21)15-29-27(33)26-17(2)23-14-20(28)8-10-24(23)30-26/h3-6,8-10,12-14,30H,7,11,15H2,1-2H3,(H,29,33)(H,31,32) | PDB
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Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50194627
((R)-3-(4-(3-(2-benzoyl-4-ethylphenoxy)butoxy)-2-me...)Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m1/s1 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta |
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 | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50199779
(3-(4-((R)-3-(4-ethyl-2-(pyridin-2-yl)phenoxy)butox...)Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ccccn1 Show InChI InChI=1S/C27H31NO4/c1-4-21-8-12-26(24(18-21)25-7-5-6-15-28-25)32-20(3)14-16-31-23-11-9-22(19(2)17-23)10-13-27(29)30/h5-9,11-12,15,17-18,20H,4,10,13-14,16H2,1-3H3,(H,29,30)/t20-/m1/s1 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta |
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 | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227752
(2-(4-(3-((2-chloro-4-(trifluoromethyl)benzamido)me...)Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccc(cc3Cl)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O Show InChI InChI=1S/C26H23ClF3NO5/c1-15-11-19(8-10-22(15)36-25(2,3)24(33)34)35-18-6-4-5-16(12-18)14-31-23(32)20-9-7-17(13-21(20)27)26(28,29)30/h4-13H,14H2,1-3H3,(H,31,32)(H,33,34) | PDB
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Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta |
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 | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227738
(2-(4-(4-fluoro-3-((2-fluoro-4-(trifluoromethyl)ben...)Show SMILES Cc1cc(Oc2ccc(F)c(CNC(=O)c3ccc(cc3F)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O Show InChI InChI=1S/C26H22F5NO5/c1-14-10-17(6-9-22(14)37-25(2,3)24(34)35)36-18-5-8-20(27)15(11-18)13-32-23(33)19-7-4-16(12-21(19)28)26(29,30)31/h4-12H,13H2,1-3H3,(H,32,33)(H,34,35) | PDB
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Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta |
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 | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227759
(3-(4-(3-((6-chloro-1H-indole-2-carboxamido)methyl)...)Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4ccc(Cl)cc4[nH]3)c2)ccc1CCC(O)=O Show InChI InChI=1S/C26H23ClN2O4/c1-16-11-22(9-6-18(16)7-10-25(30)31)33-21-4-2-3-17(12-21)15-28-26(32)24-13-19-5-8-20(27)14-23(19)29-24/h2-6,8-9,11-14,29H,7,10,15H2,1H3,(H,28,32)(H,30,31) | PDB
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Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta |
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 | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227745
(2-(4-(3-((2-bromo-4-(trifluoromethyl)benzamido)met...)Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccc(cc3Br)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O Show InChI InChI=1S/C26H23BrF3NO5/c1-15-11-19(8-10-22(15)36-25(2,3)24(33)34)35-18-6-4-5-16(12-18)14-31-23(32)20-9-7-17(13-21(20)27)26(28,29)30/h4-13H,14H2,1-3H3,(H,31,32)(H,33,34) | PDB
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Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta |
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 | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227761
(2-(4-(3-fluoro-5-((2-fluoro-4-(trifluoromethyl)ben...)Show SMILES Cc1cc(Oc2cc(F)cc(CNC(=O)c3ccc(cc3F)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O Show InChI InChI=1S/C26H22F5NO5/c1-14-8-18(5-7-22(14)37-25(2,3)24(34)35)36-19-10-15(9-17(27)12-19)13-32-23(33)20-6-4-16(11-21(20)28)26(29,30)31/h4-12H,13H2,1-3H3,(H,32,33)(H,34,35) | PDB
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Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta |
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 | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227744
(3-(4-(3-((5-chloro-1,3-dimethyl-1H-indole-2-carbox...)Show SMILES Cc1c(C(=O)NCc2cccc(Oc3ccc(CCC(O)=O)c(C)c3)c2)n(C)c2ccc(Cl)cc12 Show InChI InChI=1S/C28H27ClN2O4/c1-17-13-23(10-7-20(17)8-12-26(32)33)35-22-6-4-5-19(14-22)16-30-28(34)27-18(2)24-15-21(29)9-11-25(24)31(27)3/h4-7,9-11,13-15H,8,12,16H2,1-3H3,(H,30,34)(H,32,33) | PDB
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Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta |
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 | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227765
(3-(4-(3-((5-chloro-3-methyl-1H-indole-2-carboxamid...)Show SMILES Cc1c([nH]c2ccc(Cl)cc12)C(=O)NCc1cccc(Oc2ccc(CCC(O)=O)c(C)c2)c1 Show InChI InChI=1S/C27H25ClN2O4/c1-16-12-22(9-6-19(16)7-11-25(31)32)34-21-5-3-4-18(13-21)15-29-27(33)26-17(2)23-14-20(28)8-10-24(23)30-26/h3-6,8-10,12-14,30H,7,11,15H2,1-2H3,(H,29,33)(H,31,32) | PDB
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Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta |
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 | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227746
(3-(4-(3-((5-chloro-1H-indole-2-carboxamido)methyl)...)Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4[nH]3)c2)ccc1CCC(O)=O Show InChI InChI=1S/C26H23ClN2O4/c1-16-11-22(8-5-18(16)6-10-25(30)31)33-21-4-2-3-17(12-21)15-28-26(32)24-14-19-13-20(27)7-9-23(19)29-24/h2-5,7-9,11-14,29H,6,10,15H2,1H3,(H,28,32)(H,30,31) | PDB
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Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta |
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 | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227758
(3-(4-(3-((5-chloro-1-methyl-1H-indole-2-carboxamid...)Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)ccc4n3C)c2)ccc1CCC(O)=O Show InChI InChI=1S/C27H25ClN2O4/c1-17-12-23(9-6-19(17)7-11-26(31)32)34-22-5-3-4-18(13-22)16-29-27(33)25-15-20-14-21(28)8-10-24(20)30(25)2/h3-6,8-10,12-15H,7,11,16H2,1-2H3,(H,29,33)(H,31,32) | PDB
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Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta |
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 | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227743
(2-methyl-2-(2-methyl-4-(3-((2-methyl-4-(trifluorom...)Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccc(cc3C)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O Show InChI InChI=1S/C27H26F3NO5/c1-16-12-19(27(28,29)30)8-10-22(16)24(32)31-15-18-6-5-7-20(14-18)35-21-9-11-23(17(2)13-21)36-26(3,4)25(33)34/h5-14H,15H2,1-4H3,(H,31,32)(H,33,34) | PDB
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Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta |
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 | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227736
(2-(4-(5-((2-fluoro-4-(trifluoromethyl)benzamido)me...)Show SMILES Cc1ccc(CNC(=O)c2ccc(cc2F)C(F)(F)F)cc1Oc1ccc(OC(C)(C)C(O)=O)c(C)c1 Show InChI InChI=1S/C27H25F4NO5/c1-15-5-6-17(14-32-24(33)20-9-7-18(13-21(20)28)27(29,30)31)12-23(15)36-19-8-10-22(16(2)11-19)37-26(3,4)25(34)35/h5-13H,14H2,1-4H3,(H,32,33)(H,34,35) | PDB
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Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Displacement of [3H]-2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta |
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 | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50194627
((R)-3-(4-(3-(2-benzoyl-4-ethylphenoxy)butoxy)-2-me...)Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H32O5/c1-4-22-10-14-27(26(19-22)29(32)24-8-6-5-7-9-24)34-21(3)16-17-33-25-13-11-23(20(2)18-25)12-15-28(30)31/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,30,31)/t21-/m1/s1 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl-butyric acid from human PPARdelta 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 | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50199778
(3-(4-((R)-3-(4-ethyl-2-(thiazol-4-yl)phenoxy)butox...)Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1cscn1 Show InChI InChI=1S/C25H29NO4S/c1-4-19-5-9-24(22(14-19)23-15-31-16-26-23)30-18(3)11-12-29-21-8-6-20(17(2)13-21)7-10-25(27)28/h5-6,8-9,13-16,18H,4,7,10-12H2,1-3H3,(H,27,28)/t18-/m1/s1 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta |
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 | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50199781
(3-(2-ethyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluoro...)Show SMILES CCc1cc(OCC[C@@H](C)Oc2ccc(cc2-c2ccccn2)C(F)(F)F)ccc1CCC(O)=O Show InChI InChI=1S/C27H28F3NO4/c1-3-19-16-22(10-7-20(19)8-12-26(32)33)34-15-13-18(2)35-25-11-9-21(27(28,29)30)17-23(25)24-6-4-5-14-31-24/h4-7,9-11,14,16-18H,3,8,12-13,15H2,1-2H3,(H,32,33)/t18-/m1/s1 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta |
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 | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50199776
(3-(2-ethyl-4-((R)-3-(4-ethyl-2-(pyridin-2-yl)pheno...)Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(CC)c2)c(c1)-c1ccccn1 Show InChI InChI=1S/C28H33NO4/c1-4-21-9-13-27(25(18-21)26-8-6-7-16-29-26)33-20(3)15-17-32-24-12-10-23(11-14-28(30)31)22(5-2)19-24/h6-10,12-13,16,18-20H,4-5,11,14-15,17H2,1-3H3,(H,30,31)/t20-/m1/s1 | PDB
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Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]2-(4-{2-[3-(2,4-difluoro-phenyl)-1-heptyl-ureido]-ethyl}-phenoxy)-2-methyl butyric acid from human PPARdelta |
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 | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50213326
(2-(6-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiaz...)Show SMILES Cc1nc(sc1COc1ccc2c(CC(O)=O)csc2c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C22H16F3NO3S2/c1-12-19(31-21(26-12)13-2-4-15(5-3-13)22(23,24)25)10-29-16-6-7-17-14(8-20(27)28)11-30-18(17)9-16/h2-7,9,11H,8,10H2,1H3,(H,27,28) | PDB
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| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA |
Bioorg Med Chem Lett 17: 3630-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.047
BindingDB Entry DOI: 10.7270/Q2ZK5GBB |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50213330
(2-(6-(4-((4-(trifluoromethyl)phenoxy)methyl)benzyl...)Show SMILES OC(=O)Cc1csc2cc(OCc3ccc(COc4ccc(cc4)C(F)(F)F)cc3)ccc12 Show InChI InChI=1S/C25H19F3O4S/c26-25(27,28)19-5-7-20(8-6-19)31-13-16-1-3-17(4-2-16)14-32-21-9-10-22-18(11-24(29)30)15-33-23(22)12-21/h1-10,12,15H,11,13-14H2,(H,29,30) | PDB
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| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50213330
(2-(6-(4-((4-(trifluoromethyl)phenoxy)methyl)benzyl...)Show SMILES OC(=O)Cc1csc2cc(OCc3ccc(COc4ccc(cc4)C(F)(F)F)cc3)ccc12 Show InChI InChI=1S/C25H19F3O4S/c26-25(27,28)19-5-7-20(8-6-19)31-13-16-1-3-17(4-2-16)14-32-21-9-10-22-18(11-24(29)30)15-33-23(22)12-21/h1-10,12,15H,11,13-14H2,(H,29,30) | PDB
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| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]2-(4-(3-(4-acetyl-3-hydroxy-2 propyl-phenoxy)propoxy)phenoxy)acetic acid from human PPARdelta after 30 mins by SPA |
Bioorg Med Chem Lett 17: 3630-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.047
BindingDB Entry DOI: 10.7270/Q2ZK5GBB |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50126016
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12 Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50126016
(2-(3-chloro-4-(3-(3-ethyl-7-propylbenzo[d]isoxazol...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(CC)noc12 Show InChI InChI=1S/C23H26ClNO4S/c1-3-6-17-20(9-8-16-19(4-2)25-29-23(16)17)28-11-5-12-30-21-10-7-15(13-18(21)24)14-22(26)27/h7-10,13H,3-6,11-12,14H2,1-2H3,(H,26,27) | PDB
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| n/a | n/a | 4 | 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 alpha in SPA |
Bioorg Med Chem Lett 13: 1277-80 (2003)
BindingDB Entry DOI: 10.7270/Q2PC31R1 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227766
(2-(4-(3-((2,4-dimethylbenzamido)methyl)phenoxy)-2-...)Show SMILES Cc1ccc(C(=O)NCc2cccc(Oc3ccc(OC(C)(C)C(O)=O)c(C)c3)c2)c(C)c1 Show InChI InChI=1S/C27H29NO5/c1-17-9-11-23(18(2)13-17)25(29)28-16-20-7-6-8-21(15-20)32-22-10-12-24(19(3)14-22)33-27(4,5)26(30)31/h6-15H,16H2,1-5H3,(H,28,29)(H,30,31) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50184263
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H21ClF3NO5/c1-2-4-14-17(8-6-15-20(14)32-27-21(15)22(24,25)26)30-9-3-10-31-18-7-5-13(11-16(18)23)12-19(28)29/h5-8,11H,2-4,9-10,12H2,1H3,(H,28,29) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARdelta |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
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