Found 1271 hits of ic50 for UniProtKB: Q07869 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 alpha
(Homo sapiens (Human)) | BDBM50391056
(CHEMBL2088421)Show SMILES COc1ccc(NC(=O)N(CCCCC2CCCCC2)CCc2ccc(SC(C)(C)C(O)=O)cc2)cc1 Show InChI InChI=1S/C30H42N2O4S/c1-30(2,28(33)34)37-27-18-12-24(13-19-27)20-22-32(21-8-7-11-23-9-5-4-6-10-23)29(35)31-25-14-16-26(36-3)17-15-25/h12-19,23H,4-11,20-22H2,1-3H3,(H,31,35)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Agonist activity at PPARalpha-LBD expressed in HEK293 cells co-expressing GAL4-DBD after 16 to 19 hrs by beta lactamase reporter gene assay |
Bioorg Med Chem Lett 22: 6233-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.010
BindingDB Entry DOI: 10.7270/Q25M66SF |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50099491
(2-(4-(2-(3-cyclohexyl-1-(4-cyclohexylbutyl)ureido)...)Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)NC2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Agonist activity at PPARalpha-LBD expressed in HEK293 cells co-expressing GAL4-DBD after 16 to 19 hrs by beta lactamase reporter gene assay |
Bioorg Med Chem Lett 22: 6233-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.010
BindingDB Entry DOI: 10.7270/Q25M66SF |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50391057
(CHEMBL2088422)Show SMILES COc1cccc(NC(=O)N(CCCCC2CCCCC2)CCc2ccc(SC(C)(C)C(O)=O)cc2)c1 Show InChI InChI=1S/C30H42N2O4S/c1-30(2,28(33)34)37-27-17-15-24(16-18-27)19-21-32(20-8-7-12-23-10-5-4-6-11-23)29(35)31-25-13-9-14-26(22-25)36-3/h9,13-18,22-23H,4-8,10-12,19-21H2,1-3H3,(H,31,35)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Agonist activity at PPARalpha-LBD expressed in HEK293 cells co-expressing GAL4-DBD after 16 to 19 hrs by beta lactamase reporter gene assay |
Bioorg Med Chem Lett 22: 6233-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.010
BindingDB Entry DOI: 10.7270/Q25M66SF |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50099489
(2-(4-{2-[1-(4-Cyclohexyl-butyl)-3-(2-methoxy-pheny...)Show SMILES COc1ccccc1NC(=O)N(CCCCC1CCCCC1)CCc1ccc(SC(C)(C)C(O)=O)cc1 Show InChI InChI=1S/C30H42N2O4S/c1-30(2,28(33)34)37-25-18-16-24(17-19-25)20-22-32(21-10-9-13-23-11-5-4-6-12-23)29(35)31-26-14-7-8-15-27(26)36-3/h7-8,14-19,23H,4-6,9-13,20-22H2,1-3H3,(H,31,35)(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
Agonist activity at PPARalpha-LBD expressed in HEK293 cells co-expressing GAL4-DBD after 16 to 19 hrs by beta lactamase reporter gene assay |
Bioorg Med Chem Lett 22: 6233-6 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.010
BindingDB Entry DOI: 10.7270/Q25M66SF |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50179830
((S)-2-(4-(3-(2-chloro-4-cyclohexylphenoxy)propoxy)...)Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(cc2Cl)C2CCCCC2)cc1)C(O)=O Show InChI InChI=1S/C27H35ClO4/c1-3-27(2,26(29)30)19-20-10-13-23(14-11-20)31-16-7-17-32-25-15-12-22(18-24(25)28)21-8-5-4-6-9-21/h10-15,18,21H,3-9,16-17,19H2,1-2H3,(H,29,30)/t27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human PPAR alpha |
Bioorg Med Chem Lett 16: 1673-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50013729
(CHEMBL3264919)Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccccc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C34H42N4O5S/c1-7-37-30(35-38(32(37)40)24-26-16-20-27(21-17-26)33(2,3)4)15-11-12-25-18-22-28(23-19-25)43-34(5,6)31(39)36-44(41,42)29-13-9-8-10-14-29/h8-10,13-14,16-23H,7,11-12,15,24H2,1-6H3,(H,36,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Inception Sciences
Curated by ChEMBL
| Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ... |
Bioorg Med Chem Lett 24: 2267-72 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50013730
(CHEMBL3264920)Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccc(C)cc3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C35H44N4O5S/c1-8-38-31(36-39(33(38)41)24-27-14-18-28(19-15-27)34(3,4)5)11-9-10-26-16-20-29(21-17-26)44-35(6,7)32(40)37-45(42,43)30-22-12-25(2)13-23-30/h12-23H,8-11,24H2,1-7H3,(H,37,40) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Inception Sciences
Curated by ChEMBL
| Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ... |
Bioorg Med Chem Lett 24: 2267-72 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50179824
((S)-2-(4-(3-(2-chloro-4-(trifluoromethoxy)phenoxy)...)Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(OC(F)(F)F)cc2Cl)cc1)C(O)=O Show InChI InChI=1S/C22H24ClF3O5/c1-3-21(2,20(27)28)14-15-5-7-16(8-6-15)29-11-4-12-30-19-10-9-17(13-18(19)23)31-22(24,25)26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,27,28)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human PPAR alpha |
Bioorg Med Chem Lett 16: 1673-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50013734
(CHEMBL3264924)Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)C3CCCCC3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C34H48N4O5S/c1-7-37-30(35-38(32(37)40)24-26-16-20-27(21-17-26)33(2,3)4)15-11-12-25-18-22-28(23-19-25)43-34(5,6)31(39)36-44(41,42)29-13-9-8-10-14-29/h16-23,29H,7-15,24H2,1-6H3,(H,36,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Inception Sciences
Curated by ChEMBL
| Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ... |
Bioorg Med Chem Lett 24: 2267-72 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50179833
((S)-2-(4-(3-(2-chloro-4-(trifluoromethyl)phenoxy)p...)Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(cc2Cl)C(F)(F)F)cc1)C(O)=O Show InChI InChI=1S/C22H24ClF3O4/c1-3-21(2,20(27)28)14-15-5-8-17(9-6-15)29-11-4-12-30-19-10-7-16(13-18(19)23)22(24,25)26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,27,28)/t21-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human PPAR alpha |
Bioorg Med Chem Lett 16: 1673-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50013735
(CHEMBL3264925)Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)C3CCCC3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C33H46N4O5S/c1-7-36-29(34-37(31(36)39)23-25-15-19-26(20-16-25)32(2,3)4)14-10-11-24-17-21-27(22-18-24)42-33(5,6)30(38)35-43(40,41)28-12-8-9-13-28/h15-22,28H,7-14,23H2,1-6H3,(H,35,38) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Inception Sciences
Curated by ChEMBL
| Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ... |
Bioorg Med Chem Lett 24: 2267-72 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33 |
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 |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]2-(4-(2-(3-(2,4-difluorophenyl)-1-heptylureido)ethyl)phenoxy)-2-methylbutanoic acid from human PPARalpha after 30 mins by SPA ass... |
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 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 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 alpha
(Homo sapiens (Human)) | BDBM28681
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | >5 | 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 alpha
(Homo sapiens (Human)) | BDBM50179818
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)Show SMILES CCC(C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O Show InChI InChI=1S/C27H28ClFO5/c1-3-27(2,26(30)31)18-19-5-9-21(10-6-19)32-15-4-16-33-25-14-13-23(17-24(25)28)34-22-11-7-20(29)8-12-22/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human PPAR alpha |
Bioorg Med Chem Lett 16: 1673-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50179826
((R)-2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)p...)Show SMILES CC[C@](C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O Show InChI InChI=1S/C27H28ClFO5/c1-3-27(2,26(30)31)18-19-5-9-21(10-6-19)32-15-4-16-33-25-14-13-23(17-24(25)28)34-22-11-7-20(29)8-12-22/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,30,31)/t27-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human PPAR alpha |
Bioorg Med Chem Lett 16: 1673-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50013736
(CHEMBL3264926)Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)C3CC3)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C31H42N4O5S/c1-7-34-27(32-35(29(34)37)21-23-11-15-24(16-12-23)30(2,3)4)10-8-9-22-13-17-25(18-14-22)40-31(5,6)28(36)33-41(38,39)26-19-20-26/h11-18,26H,7-10,19-21H2,1-6H3,(H,33,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Inception Sciences
Curated by ChEMBL
| Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ... |
Bioorg Med Chem Lett 24: 2267-72 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168554
((R)-7-{3-[2-Chloro-4-(1,1-dimethyl-propyl)-phenoxy...)Show SMILES CCC(C)(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1 Show InChI InChI=1S/C25H31ClO5/c1-5-24(2,3)18-8-10-21(20(26)15-18)30-14-6-13-29-19-9-7-17-11-12-25(4,23(27)28)31-22(17)16-19/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,27,28)/t25-/m1/s1 | PDB
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| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50168554
((R)-7-{3-[2-Chloro-4-(1,1-dimethyl-propyl)-phenoxy...)Show SMILES CCC(C)(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1 Show InChI InChI=1S/C25H31ClO5/c1-5-24(2,3)18-8-10-21(20(26)15-18)30-14-6-13-29-19-9-7-17-11-12-25(4,23(27)28)31-22(17)16-19/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,27,28)/t25-/m1/s1 | PDB
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| n/a | n/a | 7 | 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)) | BDBM50311792
(4'-butoxy-3'-((2-fluoro-4-(trifluoromethyl)benzami...)Show SMILES CCCCOc1ccc(cc1CNC(=O)c1ccc(cc1F)C(F)(F)F)-c1ccc(cc1C)C(O)=O Show InChI InChI=1S/C27H25F4NO4/c1-3-4-11-36-24-10-6-17(21-8-5-18(26(34)35)12-16(21)2)13-19(24)15-32-25(33)22-9-7-20(14-23(22)28)27(29,30)31/h5-10,12-14H,3-4,11,15H2,1-2H3,(H,32,33)(H,34,35) | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Tokyo
Curated by ChEMBL
| Assay Description
Antagonist activity at PPARalpha cotransfected with GAL4-PPAR fusion protein assessed as inhibition of TIPP703-induced response by luciferase reporte... |
Bioorg Med Chem Lett 19: 6595-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.10.021
BindingDB Entry DOI: 10.7270/Q2736R23 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50179836
((S)-2-(4-(3-(2-chloro-4-(2,2,2-trifluoroethoxy)phe...)Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(OCC(F)(F)F)cc2Cl)cc1)C(O)=O Show InChI InChI=1S/C23H26ClF3O5/c1-3-22(2,21(28)29)14-16-5-7-17(8-6-16)30-11-4-12-31-20-10-9-18(13-19(20)24)32-15-23(25,26)27/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,28,29)/t22-/m0/s1 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human PPAR alpha |
Bioorg Med Chem Lett 16: 1673-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50135773
(2-(4-{3-[1-(3,4-Dimethyl-benzyl)-4-methyl-5-oxo-4,...)Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(C)c2=O)cc1C Show InChI InChI=1S/C25H31N3O4/c1-17-9-10-20(15-18(17)2)16-28-24(31)27(5)22(26-28)8-6-7-19-11-13-21(14-12-19)32-25(3,4)23(29)30/h9-15H,6-8,16H2,1-5H3,(H,29,30) | PDB
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| n/a | n/a | 12.0 | 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)) | BDBM50135773
(2-(4-{3-[1-(3,4-Dimethyl-benzyl)-4-methyl-5-oxo-4,...)Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(C)c2=O)cc1C Show InChI InChI=1S/C25H31N3O4/c1-17-9-10-20(15-18(17)2)16-28-24(31)27(5)22(26-28)8-6-7-19-11-13-21(14-12-19)32-25(3,4)23(29)30/h9-15H,6-8,16H2,1-5H3,(H,29,30) | PDB
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Division of Eli Lilly & Company
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Peroxisome proliferator activated receptor alpha |
J Med Chem 46: 5121-4 (2003)
Article DOI: 10.1021/jm034173l
BindingDB Entry DOI: 10.7270/Q2D50MB0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50013731
(CHEMBL3264921)Show SMILES CCn1c(CCCc2ccc(OC(C)(C)C(=O)NS(=O)(=O)c3ccc(cc3)C(C)C)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C37H48N4O5S/c1-9-40-33(38-41(35(40)43)25-28-13-19-30(20-14-28)36(4,5)6)12-10-11-27-15-21-31(22-16-27)46-37(7,8)34(42)39-47(44,45)32-23-17-29(18-24-32)26(2)3/h13-24,26H,9-12,25H2,1-8H3,(H,39,42) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Inception Sciences
Curated by ChEMBL
| Assay Description
Antagonist activity at human PPAR-alpha assessed as inhibition of GW7647-induced effect after overnight incubation by cell-based luciferase reporter ... |
Bioorg Med Chem Lett 24: 2267-72 (2014)
Article DOI: 10.1016/j.bmcl.2014.03.090
BindingDB Entry DOI: 10.7270/Q2GX4D33 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50135777
(2-(4-{3-[1-(4-tert-Butyl-benzyl)-4-methyl-5-oxo-4,...)Show SMILES Cn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C27H35N3O4/c1-26(2,3)21-14-10-20(11-15-21)18-30-25(33)29(6)23(28-30)9-7-8-19-12-16-22(17-13-19)34-27(4,5)24(31)32/h10-17H,7-9,18H2,1-6H3,(H,31,32) | PDB
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| n/a | n/a | 15 | 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)) | BDBM50168544
((R)-7-[3-(2-Chloro-4-cyclohexyl-phenoxy)-propoxy]-...)Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCCC3)cc2O1)C(O)=O Show InChI InChI=1S/C27H33ClO5/c1-2-27(26(29)30)14-13-20-9-11-22(18-25(20)33-27)31-15-6-16-32-24-12-10-21(17-23(24)28)19-7-4-3-5-8-19/h9-12,17-19H,2-8,13-16H2,1H3,(H,29,30)/t27-/m1/s1 | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50135777
(2-(4-{3-[1-(4-tert-Butyl-benzyl)-4-methyl-5-oxo-4,...)Show SMILES Cn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2ccc(cc2)C(C)(C)C)c1=O Show InChI InChI=1S/C27H35N3O4/c1-26(2,3)21-14-10-20(11-15-21)18-30-25(33)29(6)23(28-30)9-7-8-19-12-16-22(17-13-19)34-27(4,5)24(31)32/h10-17H,7-9,18H2,1-6H3,(H,31,32) | PDB
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Division of Eli Lilly & Company
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Peroxisome proliferator activated receptor alpha |
J Med Chem 46: 5121-4 (2003)
Article DOI: 10.1021/jm034173l
BindingDB Entry DOI: 10.7270/Q2D50MB0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50184274
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)Show SMILES CCCc1c(OCCCNc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H23F3N2O4/c1-2-4-16-18(10-9-17-20(16)31-27-21(17)22(23,24)25)30-12-3-11-26-15-7-5-14(6-8-15)13-19(28)29/h5-10,26H,2-4,11-13H2,1H3,(H,28,29) | PDB
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| n/a | n/a | 16 | 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)) | BDBM50168557
((R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-...)Show SMILES CC(C)Cc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1 Show InChI InChI=1S/C24H29ClO5/c1-16(2)13-17-5-8-21(20(25)14-17)29-12-4-11-28-19-7-6-18-9-10-24(3,23(26)27)30-22(18)15-19/h5-8,14-16H,4,9-13H2,1-3H3,(H,26,27)/t24-/m1/s1 | PDB
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| n/a | n/a | 16 | 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)) | BDBM50184274
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)Show SMILES CCCc1c(OCCCNc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H23F3N2O4/c1-2-4-16-18(10-9-17-20(16)31-27-21(17)22(23,24)25)30-12-3-11-26-15-7-5-14(6-8-15)13-19(28)29/h5-10,26H,2-4,11-13H2,1H3,(H,28,29) | PDB
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| n/a | n/a | 16 | 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)) | BDBM50168557
((R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-...)Show SMILES CC(C)Cc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1 Show InChI InChI=1S/C24H29ClO5/c1-16(2)13-17-5-8-21(20(25)14-17)29-12-4-11-28-19-7-6-18-9-10-24(3,23(26)27)30-22(18)15-19/h5-8,14-16H,4,9-13H2,1-3H3,(H,26,27)/t24-/m1/s1 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
In vitro binding affinity against human PPARalpha |
Bioorg Med Chem Lett 15: 3347-51 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50184274
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)Show SMILES CCCc1c(OCCCNc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H23F3N2O4/c1-2-4-16-18(10-9-17-20(16)31-27-21(17)22(23,24)25)30-12-3-11-26-15-7-5-14(6-8-15)13-19(28)29/h5-10,26H,2-4,11-13H2,1H3,(H,28,29) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PPAR alpha |
Bioorg Med Chem Lett 16: 3055-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50135775
(2-Methyl-2-(4-{3-[1-(4-methyl-benzyl)-5-oxo-4-prop...)Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2ccc(C)cc2)c1=O Show InChI InChI=1S/C26H33N3O4/c1-5-17-28-23(27-29(25(28)32)18-21-11-9-19(2)10-12-21)8-6-7-20-13-15-22(16-14-20)33-26(3,4)24(30)31/h9-16H,5-8,17-18H2,1-4H3,(H,30,31) | PDB
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Division of Eli Lilly & Company
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Peroxisome proliferator activated receptor alpha |
J Med Chem 46: 5121-4 (2003)
Article DOI: 10.1021/jm034173l
BindingDB Entry DOI: 10.7270/Q2D50MB0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50135775
(2-Methyl-2-(4-{3-[1-(4-methyl-benzyl)-5-oxo-4-prop...)Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2ccc(C)cc2)c1=O Show InChI InChI=1S/C26H33N3O4/c1-5-17-28-23(27-29(25(28)32)18-21-11-9-19(2)10-12-21)8-6-7-20-13-15-22(16-14-20)33-26(3,4)24(30)31/h9-16H,5-8,17-18H2,1-4H3,(H,30,31) | PDB
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| n/a | n/a | 16 | 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)) | BDBM50508126
(CHEMBL4457564)Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccc(cc2)C(F)(F)F)cc1 Show InChI InChI=1S/C35H29F6N3O4/c1-2-48-30-19-10-24(20-25(30)21-32(45)46)23-8-6-22(7-9-23)4-3-5-31-42-44(29-17-13-27(14-18-29)35(39,40)41)33(47)43(31)28-15-11-26(12-16-28)34(36,37)38/h6-20H,2-5,21H2,1H3,(H,45,46) | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Inception Sciences
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human PPARalpha assessed as inhibition of GW7647-induced receptor activation after overnight incubation by cell-ba... |
Bioorg Med Chem Lett 29: 503-508 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.045
BindingDB Entry DOI: 10.7270/Q2XK8JVQ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50145719
((S)-3-{4-[2-(2-Cyclohexyl-5-methyl-oxazol-4-yl)-et...)Show SMILES Cc1oc(nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(O)=O)cc1)C1CCCCC1 Show InChI InChI=1S/C28H33NO5/c1-20-25(29-26(33-20)22-9-5-3-6-10-22)17-18-32-23-15-13-21(14-16-23)19-28(2,27(30)31)34-24-11-7-4-8-12-24/h4,7-8,11-16,22H,3,5-6,9-10,17-19H2,1-2H3,(H,30,31)/t28-/m0/s1 | PDB
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| n/a | n/a | 18.0 | 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)) | BDBM50508153
(CHEMBL4549922)Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(OC(F)(F)F)cc3)c(=O)n2-c2ccccc2F)cc1 |(80.09,-3.25,;78.76,-4.04,;77.42,-3.28,;76.09,-4.07,;74.74,-3.31,;73.42,-4.1,;73.44,-5.62,;74.78,-6.39,;76.11,-5.61,;77.45,-6.37,;77.46,-7.91,;76.14,-8.69,;78.8,-8.66,;72.12,-6.41,;72.13,-7.95,;70.8,-8.73,;69.46,-7.97,;68.14,-8.75,;66.8,-7.99,;65.47,-8.77,;64.13,-8.01,;63.65,-6.55,;62.11,-6.55,;61.33,-5.22,;62.09,-3.89,;61.31,-2.56,;59.77,-2.57,;58.99,-1.25,;57.45,-1.26,;56.66,.08,;56.69,-2.6,;55.9,-1.25,;59.01,-3.92,;59.8,-5.24,;61.64,-8.02,;60.18,-8.5,;62.89,-8.91,;62.9,-10.45,;64.23,-11.22,;64.24,-12.77,;62.9,-13.54,;61.57,-12.77,;61.57,-11.22,;60.23,-10.45,;69.45,-6.43,;70.77,-5.65,)| Show InChI InChI=1S/C34H29F4N3O5/c1-2-45-30-19-14-24(20-25(30)21-32(42)43)23-12-10-22(11-13-23)6-5-9-31-39-41(26-15-17-27(18-16-26)46-34(36,37)38)33(44)40(31)29-8-4-3-7-28(29)35/h3-4,7-8,10-20H,2,5-6,9,21H2,1H3,(H,42,43) | PDB
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Inception Sciences
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human PPARalpha assessed as inhibition of GW7647-induced receptor activation after overnight incubation by cell-ba... |
Bioorg Med Chem Lett 29: 503-508 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.045
BindingDB Entry DOI: 10.7270/Q2XK8JVQ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50145719
((S)-3-{4-[2-(2-Cyclohexyl-5-methyl-oxazol-4-yl)-et...)Show SMILES Cc1oc(nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(O)=O)cc1)C1CCCCC1 Show InChI InChI=1S/C28H33NO5/c1-20-25(29-26(33-20)22-9-5-3-6-10-22)17-18-32-23-15-13-21(14-16-23)19-28(2,27(30)31)34-24-11-7-4-8-12-24/h4,7-8,11-16,22H,3,5-6,9-10,17-19H2,1-2H3,(H,30,31)/t28-/m0/s1 | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of PPARalpha/delta agonist from human Peroxisome proliferator activated receptor alpha |
J Med Chem 47: 2422-5 (2004)
Article DOI: 10.1021/jm0342616
BindingDB Entry DOI: 10.7270/Q2TQ6100 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50508137
(CHEMBL4437146)Show SMILES COc1ccc(nc1NS(=O)(=O)c1ccccc1)-c1ccc(OCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccccc2F)cc1 |(67.94,-13.52,;66.62,-14.31,;65.28,-13.55,;65.25,-12.01,;63.91,-11.26,;62.6,-12.04,;62.61,-13.58,;63.95,-14.34,;63.96,-15.88,;65.3,-16.63,;66.63,-15.85,;66.64,-17.39,;65.32,-18.17,;63.99,-18.95,;64.01,-20.49,;65.35,-21.25,;66.68,-20.45,;66.66,-18.92,;61.26,-11.28,;59.93,-12.07,;58.59,-11.31,;58.58,-9.77,;57.24,-9.01,;55.91,-9.79,;54.57,-9.04,;54.09,-7.57,;52.55,-7.58,;51.64,-6.33,;52.27,-4.93,;51.36,-3.69,;49.83,-3.85,;49.21,-5.27,;50.12,-6.51,;48.92,-2.61,;49.54,-1.2,;47.39,-2.78,;47.82,-1.51,;52.08,-9.04,;50.62,-9.53,;53.33,-9.94,;53.34,-11.48,;54.67,-12.24,;54.68,-13.79,;53.34,-14.57,;52.01,-13.79,;52.01,-12.25,;50.68,-11.48,;59.9,-8.99,;61.24,-9.74,)| Show InChI InChI=1S/C34H25F4N5O5S/c1-47-30-20-19-28(39-32(30)41-49(45,46)26-7-3-2-4-8-26)22-11-17-25(18-12-22)48-21-31-40-43(24-15-13-23(14-16-24)34(36,37)38)33(44)42(31)29-10-6-5-9-27(29)35/h2-20H,21H2,1H3,(H,39,41) | PDB
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Inception Sciences
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human PPARalpha assessed as inhibition of GW7647-induced receptor activation after overnight incubation by cell-ba... |
Bioorg Med Chem Lett 29: 503-508 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.045
BindingDB Entry DOI: 10.7270/Q2XK8JVQ |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50184261
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H22F3NO5/c1-2-4-16-18(10-9-17-20(16)31-26-21(17)22(23,24)25)30-12-3-11-29-15-7-5-14(6-8-15)13-19(27)28/h5-10H,2-4,11-13H2,1H3,(H,27,28) | PDB
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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)) | BDBM50184261
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H22F3NO5/c1-2-4-16-18(10-9-17-20(16)31-26-21(17)22(23,24)25)30-12-3-11-29-15-7-5-14(6-8-15)13-19(27)28/h5-10H,2-4,11-13H2,1H3,(H,27,28) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of PPAR alpha |
Bioorg Med Chem Lett 16: 3055-60 (2006)
Article DOI: 10.1016/j.bmcl.2006.02.050
BindingDB Entry DOI: 10.7270/Q20V8CD6 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50135782
(2-(4-{3-[1-(3-Methoxy-benzyl)-5-oxo-4-propyl-4,5-d...)Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2cccc(OC)c2)c1=O Show InChI InChI=1S/C26H33N3O5/c1-5-16-28-23(27-29(25(28)32)18-20-9-6-10-22(17-20)33-4)11-7-8-19-12-14-21(15-13-19)34-26(2,3)24(30)31/h6,9-10,12-15,17H,5,7-8,11,16,18H2,1-4H3,(H,30,31) | PDB
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Division of Eli Lilly & Company
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Peroxisome proliferator activated receptor alpha |
J Med Chem 46: 5121-4 (2003)
Article DOI: 10.1021/jm034173l
BindingDB Entry DOI: 10.7270/Q2D50MB0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50184261
(2-(4-(3-(7-propyl-3-(trifluoromethyl)benzo[d]isoxa...)Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)C(F)(F)F Show InChI InChI=1S/C22H22F3NO5/c1-2-4-16-18(10-9-17-20(16)31-26-21(17)22(23,24)25)30-12-3-11-29-15-7-5-14(6-8-15)13-19(27)28/h5-10H,2-4,11-13H2,1H3,(H,27,28) | PDB
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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)) | BDBM50135782
(2-(4-{3-[1-(3-Methoxy-benzyl)-5-oxo-4-propyl-4,5-d...)Show SMILES CCCn1c(CCCc2ccc(OC(C)(C)C(O)=O)cc2)nn(Cc2cccc(OC)c2)c1=O Show InChI InChI=1S/C26H33N3O5/c1-5-16-28-23(27-29(25(28)32)18-20-9-6-10-22(17-20)33-4)11-7-8-19-12-14-21(15-13-19)34-26(2,3)24(30)31/h6,9-10,12-15,17H,5,7-8,11,16,18H2,1-4H3,(H,30,31) | PDB
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| n/a | n/a | 19.0 | 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)) | BDBM50152829
(CHEMBL3780740)Show SMILES OS(O)(=O)=O.COc1ccc(Oc2cc(ncn2)N(C)CCOc2ccc(CC3SC(=O)NC3=O)cc2)cc1 Show InChI InChI=1S/C24H24N4O5S.H2O4S/c1-28(21-14-22(26-15-25-21)33-19-9-7-17(31-2)8-10-19)11-12-32-18-5-3-16(4-6-18)13-20-23(29)27-24(30)34-20;1-5(2,3)4/h3-10,14-15,20H,11-13H2,1-2H3,(H,27,29,30);(H2,1,2,3,4) | PDB
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Pfizer Inc.
Curated by ChEMBL
| Assay Description
Agonist activity at PPAR-alpha receptor (unknown origin) |
Bioorg Med Chem 24: 1937-80 (2016)
Article DOI: 10.1016/j.bmc.2016.03.004
BindingDB Entry DOI: 10.7270/Q22B90WR |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50063315
(CHEMBL3398446)Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nccc(n2)C(F)(F)F)c1)-c1ccccc1 |r| Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-7-3-2-4-8-20)11-13-39-22-9-5-6-19(15-22)14-21-16-36(17-23(21)27(37)38)28-33-12-10-25(35-28)29(30,31)32/h2-10,12,15,21,23H,11,13-14,16-17H2,1H3,(H,37,38)/t21-,23+/m1/s1 | PDB
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Bristol-Myers Squibb Research and Development (R&D)
Curated by ChEMBL
| Assay Description
Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi... |
Bioorg Med Chem Lett 25: 1196-205 (2015)
Article DOI: 10.1016/j.bmcl.2015.01.066
BindingDB Entry DOI: 10.7270/Q20866ZP |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50145722
((S)-2-Methyl-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-y...)Show SMILES Cc1oc(nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C28H27NO5/c1-20-25(29-26(33-20)22-9-5-3-6-10-22)17-18-32-23-15-13-21(14-16-23)19-28(2,27(30)31)34-24-11-7-4-8-12-24/h3-16H,17-19H2,1-2H3,(H,30,31)/t28-/m0/s1 | PDB
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| n/a | n/a | 21.0 | 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)) | BDBM50145722
((S)-2-Methyl-3-{4-[2-(5-methyl-2-phenyl-oxazol-4-y...)Show SMILES Cc1oc(nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C28H27NO5/c1-20-25(29-26(33-20)22-9-5-3-6-10-22)17-18-32-23-15-13-21(14-16-23)19-28(2,27(30)31)34-24-11-7-4-8-12-24/h3-16H,17-19H2,1-2H3,(H,30,31)/t28-/m0/s1 | PDB
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| n/a | n/a | 21 | 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)) | BDBM50508144
(CHEMBL4545223)Show SMILES CCOc1ccc(cc1CC(O)=O)-c1ccc(CCCc2nn(-c3ccc(cc3)C(F)(F)F)c(=O)n2-c2ccc(cc2)C(C)(C)C)cc1 Show InChI InChI=1S/C38H38F3N3O4/c1-5-48-33-22-13-27(23-28(33)24-35(45)46)26-11-9-25(10-12-26)7-6-8-34-42-44(32-20-16-30(17-21-32)38(39,40)41)36(47)43(34)31-18-14-29(15-19-31)37(2,3)4/h9-23H,5-8,24H2,1-4H3,(H,45,46) | PDB
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Inception Sciences
Curated by ChEMBL
| Assay Description
Antagonist activity at recombinant human PPARalpha assessed as inhibition of GW7647-induced receptor activation after overnight incubation by cell-ba... |
Bioorg Med Chem Lett 29: 503-508 (2019)
Article DOI: 10.1016/j.bmcl.2018.12.045
BindingDB Entry DOI: 10.7270/Q2XK8JVQ |
More data for this
Ligand-Target Pair | |
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