Found 624 hits of 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/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 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)) | 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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| CHEMBL
PC cid
PC sid
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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)) | 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
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
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| Article
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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)) | 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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PC sid
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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)) | 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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PC sid
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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)) | 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)) | 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)) | 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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| CHEMBL
PC cid
PC sid
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| Article
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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
UniProtKB/SwissProt
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 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)) | 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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| 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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PC cid
PC sid
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| Article
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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)) | 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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PC sid
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| Article
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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
UniProtKB/SwissProt
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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 |
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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| 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)) | 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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| 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)) | 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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PC sid
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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)) | 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
UniProtKB/SwissProt
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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)) | 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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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)) | BDBM28691
(5-methyl-2-({3-[(7-methyl-1H-indole-1-)sulfonyl]be...)Show SMILES Cc1ccc(NC(=O)c2cccc(c2)S(=O)(=O)n2ccc3cccc(C)c23)c(c1)C(O)=O Show InChI InChI=1S/C24H20N2O5S/c1-15-9-10-21(20(13-15)24(28)29)25-23(27)18-7-4-8-19(14-18)32(30,31)26-12-11-17-6-3-5-16(2)22(17)26/h3-14H,1-2H3,(H,25,27)(H,28,29) | 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)) | BDBM50126018
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(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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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)) | BDBM50194631
((R)-3-{4-[3-(4-ethyl-2-phenoxy-phenoxy)-butoxy]-2-...)Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(Oc2ccccc2)c1 Show InChI InChI=1S/C28H32O5/c1-4-22-10-14-26(27(19-22)33-24-8-6-5-7-9-24)32-21(3)16-17-31-25-13-11-23(20(2)18-25)12-15-28(29)30/h5-11,13-14,18-19,21H,4,12,15-17H2,1-3H3,(H,29,30)/t21-/m1/s1 | 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)) | BDBM50227749
(2-(4-(3-((2-methoxy-4-(trifluoromethyl)benzamido)m...)Show SMILES COc1cc(ccc1C(=O)NCc1cccc(Oc2ccc(OC(C)(C)C(O)=O)c(C)c2)c1)C(F)(F)F Show InChI InChI=1S/C27H26F3NO6/c1-16-12-20(9-11-22(16)37-26(2,3)25(33)34)36-19-7-5-6-17(13-19)15-31-24(32)21-10-8-18(27(28,29)30)14-23(21)35-4/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)) | BDBM50227741
(2-(4-(3-((2-ethyl-4-(trifluoromethyl)benzamido)met...)Show SMILES CCc1cc(ccc1C(=O)NCc1cccc(Oc2ccc(OC(C)(C)C(O)=O)c(C)c2)c1)C(F)(F)F Show InChI InChI=1S/C28H28F3NO5/c1-5-19-15-20(28(29,30)31)9-11-23(19)25(33)32-16-18-7-6-8-21(14-18)36-22-10-12-24(17(2)13-22)37-27(3,4)26(34)35/h6-15H,5,16H2,1-4H3,(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)) | 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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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)) | BDBM50194635
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C26H27ClO5/c1-18-16-23(11-8-20(18)9-13-26(28)29)30-15-14-19(2)31-24-12-10-21(27)17-25(24)32-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,28,29)/t19-/m1/s1 | 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)) | 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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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)) | BDBM50199777
(3-(2-methyl-4-((R)-3-(2-(pyridin-2-yl)-4-(trifluor...)Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(cc1-c1ccccn1)C(F)(F)F Show InChI InChI=1S/C26H26F3NO4/c1-17-15-21(9-6-19(17)7-11-25(31)32)33-14-12-18(2)34-24-10-8-20(26(27,28)29)16-22(24)23-5-3-4-13-30-23/h3-6,8-10,13,15-16,18H,7,11-12,14H2,1-2H3,(H,31,32)/t18-/m1/s1 | 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)) | BDBM28674
(2-({3-[(2-carboxy-4-chlorophenyl)carbamoyl]benzene...)Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2c(C1)cccc2C(O)=O Show InChI InChI=1S/C24H19ClN2O7S/c25-16-7-8-21(20(12-16)24(31)32)26-22(28)14-3-1-5-17(11-14)35(33,34)27-10-9-18-15(13-27)4-2-6-19(18)23(29)30/h1-8,11-12H,9-10,13H2,(H,26,28)(H,29,30)(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)) | BDBM50126018
(2-(3-chloro-4-(3-(7-propyl-3-(trifluoromethyl)benz...)Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H21ClF3NO4S/c1-2-4-14-17(7-6-15-20(14)31-27-21(15)22(24,25)26)30-9-3-10-32-18-8-5-13(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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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)) | BDBM50227748
(3-(4-(3-((5-bromo-1H-indole-2-carboxamido)methyl)p...)Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Br)ccc4[nH]3)c2)ccc1CCC(O)=O Show InChI InChI=1S/C26H23BrN2O4/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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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)) | BDBM50194637
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(F)c1)Oc1ccc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C25H24ClFO5/c1-17(13-14-30-21-10-7-18(22(27)16-21)8-12-25(28)29)31-23-11-9-19(26)15-24(23)32-20-5-3-2-4-6-20/h2-7,9-11,15-17H,8,12-14H2,1H3,(H,28,29)/t17-/m1/s1 | 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)) | BDBM50194630
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)Show SMILES CCc1cc(OCC[C@@H](C)Oc2ccc(Cl)cc2Oc2ccccc2)ccc1CCC(O)=O Show InChI InChI=1S/C27H29ClO5/c1-3-20-17-24(12-9-21(20)10-14-27(29)30)31-16-15-19(2)32-25-13-11-22(28)18-26(25)33-23-7-5-4-6-8-23/h4-9,11-13,17-19H,3,10,14-16H2,1-2H3,(H,29,30)/t19-/m1/s1 | 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)) | BDBM50227757
(2-(4-(3-((2-fluoro-4-(trifluoromethyl)benzamido)me...)Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3ccc(cc3F)C(F)(F)F)c2)ccc1OC(C)(C)C(O)=O Show InChI InChI=1S/C26H23F4NO5/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)) | 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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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)) | 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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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 alpha
(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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Patents
Similars
| Article
PubMed
| n/a | n/a | 4.70 | 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 PPARalpha |
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 alpha
(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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.70 | 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 PPARalpha |
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)) | BDBM50227751
(3-(4-(3-((5,6-dichloro-1H-indole-2-carboxamido)met...)Show SMILES Cc1cc(Oc2cccc(CNC(=O)c3cc4cc(Cl)c(Cl)cc4[nH]3)c2)ccc1CCC(O)=O Show InChI InChI=1S/C26H22Cl2N2O4/c1-15-9-20(7-5-17(15)6-8-25(31)32)34-19-4-2-3-16(10-19)14-29-26(33)24-12-18-11-21(27)22(28)13-23(18)30-24/h2-5,7,9-13,30H,6,8,14H2,1H3,(H,29,33)(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | 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)) | BDBM50227763
((R)-3-(4-(3-(1-(5-chloro-1,3-dimethyl-1H-indole-2-...)Show SMILES CCc1cc(Oc2cc(F)cc(c2)[C@@H](C)NC(=O)c2c(C)c3cc(Cl)ccc3n2C)ccc1CCC(O)=O Show InChI InChI=1S/C30H30ClFN2O4/c1-5-19-13-24(9-6-20(19)7-11-28(35)36)38-25-14-21(12-23(32)16-25)18(3)33-30(37)29-17(2)26-15-22(31)8-10-27(26)34(29)4/h6,8-10,12-16,18H,5,7,11H2,1-4H3,(H,33,37)(H,35,36)/t18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | 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)) | BDBM50194625
((R)-3-{2-methyl-4-[3-(2-phenoxy-4-trifluoromethoxy...)Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(OC(F)(F)F)cc1Oc1ccccc1 Show InChI InChI=1S/C27H27F3O6/c1-18-16-22(10-8-20(18)9-13-26(31)32)33-15-14-19(2)34-24-12-11-23(36-27(28,29)30)17-25(24)35-21-6-4-3-5-7-21/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,31,32)/t19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 5 | 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 gamma
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARgamma |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor delta
(Homo sapiens (Human)) | BDBM50227764
(2-(4-(3-((2-fluoro-4-(trifluoromethyl)benzamido)me...)Show SMILES Cc1cc(CNC(=O)c2ccc(cc2F)C(F)(F)F)cc(Oc2ccc(OC(C)(C)C(O)=O)c(C)c2)c1 Show InChI InChI=1S/C27H25F4NO5/c1-15-9-17(14-32-24(33)21-7-5-18(13-22(21)28)27(29,30)31)12-20(10-15)36-19-6-8-23(16(2)11-19)37-26(3,4)25(34)35/h5-13H,14H2,1-4H3,(H,32,33)(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 5 | 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)) | BDBM28669
(2-{[3-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)b...)Show SMILES OC(=O)c1cc(ccc1NC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc2C1)C(F)(F)F Show InChI InChI=1S/C24H19F3N2O5S/c25-24(26,27)18-8-9-21(20(13-18)23(31)32)28-22(30)16-6-3-7-19(12-16)35(33,34)29-11-10-15-4-1-2-5-17(15)14-29/h1-9,12-13H,10-11,14H2,(H,28,30)(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | 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)) | BDBM50385183
(CHEMBL2037003)Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(OC(C)(C)C(O)=O)cc2)c(c1)C(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H32O6/c1-5-21-11-16-26(25(19-21)27(30)22-9-7-6-8-10-22)34-20(2)17-18-33-23-12-14-24(15-13-23)35-29(3,4)28(31)32/h6-16,19-20H,5,17-18H2,1-4H3,(H,31,32)/t20-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | 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)) | BDBM50194628
((R)-3-{2-methyl-4-[3-(2-phenoxy-4-trifluoromethyl-...)Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(C)c1)Oc1ccc(cc1Oc1ccccc1)C(F)(F)F Show InChI InChI=1S/C27H27F3O5/c1-18-16-23(11-8-20(18)9-13-26(31)32)33-15-14-19(2)34-24-12-10-21(27(28,29)30)17-25(24)35-22-6-4-3-5-7-22/h3-8,10-12,16-17,19H,9,13-15H2,1-2H3,(H,31,32)/t19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | 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)) | BDBM50194633
((R)-3-{4-[3-(4-chloro-2-phenoxy-phenoxy)-butoxy]-2...)Show SMILES C[C@H](CCOc1ccc(CCC(O)=O)c(c1)C(F)(F)F)Oc1ccc(Cl)cc1Oc1ccccc1 Show InChI InChI=1S/C26H24ClF3O5/c1-17(34-23-11-9-19(27)15-24(23)35-20-5-3-2-4-6-20)13-14-33-21-10-7-18(8-12-25(31)32)22(16-21)26(28,29)30/h2-7,9-11,15-17H,8,12-14H2,1H3,(H,31,32)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | 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)) | BDBM50199782
(3-(4-((R)-3-(4-ethyl-2-(oxazol-2-yl)phenoxy)butoxy...)Show SMILES CCc1ccc(O[C@H](C)CCOc2ccc(CCC(O)=O)c(C)c2)c(c1)-c1ncco1 Show InChI InChI=1S/C25H29NO5/c1-4-19-5-9-23(22(16-19)25-26-12-14-30-25)31-18(3)11-13-29-21-8-6-20(17(2)15-21)7-10-24(27)28/h5-6,8-9,12,14-16,18H,4,7,10-11,13H2,1-3H3,(H,27,28)/t18-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 5 | 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)) | BDBM50227754
((R)-3-(4-(3-(1-(5-chloro-3-methylbenzo[b]thiophene...)Show SMILES CCc1cc(Oc2cc(F)cc(c2)[C@@H](C)NC(=O)c2sc3ccc(Cl)cc3c2C)ccc1CCC(O)=O Show InChI InChI=1S/C29H27ClFNO4S/c1-4-18-12-23(8-5-19(18)6-10-27(33)34)36-24-13-20(11-22(31)15-24)17(3)32-29(35)28-16(2)25-14-21(30)7-9-26(25)37-28/h5,7-9,11-15,17H,4,6,10H2,1-3H3,(H,32,35)(H,33,34)/t17-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 5 | 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 gamma
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidad Nacional Aut£noma de M£xico
Curated by ChEMBL
| Assay Description
Agonist activity at PPARgamma |
Bioorg Med Chem 20: 3523-32 (2012)
Article DOI: 10.1016/j.bmc.2012.04.005
BindingDB Entry DOI: 10.7270/Q2MP54B4 |
More data for this
Ligand-Target Pair | |
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