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Compile Data Set for Download or QSAR

Found 3598 hits of ec50 for UniProtKB: Q07869   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50349809
PNG
(CHEMBL1813006)
Show SMILES CCO[C@@H](Cc1ccc(OCc2nc(oc2C)-c2ccc(C)s2)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H23NO5S/c1-4-25-18(21(23)24)11-15-6-8-16(9-7-15)26-12-17-14(3)27-20(22-17)19-10-5-13(2)28-19/h5-10,18H,4,11-12H2,1-3H3,(H,23,24)/t18-/m0/s1
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n/an/an/an/a 0.0000500n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50349808
PNG
(CHEMBL1813005)
Show SMILES CCO[C@@H](Cc1ccc(OCc2nc(oc2C)-c2sccc2C)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H23NO5S/c1-4-25-18(21(23)24)11-15-5-7-16(8-6-15)26-12-17-14(3)27-20(22-17)19-13(2)9-10-28-19/h5-10,18H,4,11-12H2,1-3H3,(H,23,24)/t18-/m0/s1
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n/an/an/an/a 0.0000600n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50349812
PNG
(CHEMBL1813010)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2sccc2C)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H25NO5S/c1-4-26-19(22(24)25)13-16-5-7-17(8-6-16)27-11-9-18-15(3)28-21(23-18)20-14(2)10-12-29-20/h5-8,10,12,19H,4,9,11,13H2,1-3H3,(H,24,25)/t19-/m0/s1
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n/an/an/an/a 0.0000700n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50349813
PNG
(CHEMBL1813011)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccc(C)s2)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H25NO5S/c1-4-26-19(22(24)25)13-16-6-8-17(9-7-16)27-12-11-18-15(3)28-21(23-18)20-10-5-14(2)29-20/h5-10,19H,4,11-13H2,1-3H3,(H,24,25)/t19-/m0/s1
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n/an/an/an/a 0.000310n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50256106
PNG
(4-(4-(5-methyl-2-p-tolyloxazol-4-yl)butoxyimino)-4...)
Show SMILES Cc1oc(nc1CCCCO\N=C(/CCC(O)=O)c1ccccc1)-c1ccc(C)cc1
Show InChI InChI=1S/C25H28N2O4/c1-18-11-13-21(14-12-18)25-26-22(19(2)31-25)10-6-7-17-30-27-23(15-16-24(28)29)20-8-4-3-5-9-20/h3-5,8-9,11-14H,6-7,10,15-17H2,1-2H3,(H,28,29)/b27-23+
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n/an/an/an/a 0.00380n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha transactivation expressed in human HePG2 cells


Bioorg Med Chem Lett 18: 6471-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.062
BindingDB Entry DOI: 10.7270/Q2BK1D9Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50349807
PNG
(CHEMBL1813003)
Show SMILES CCO[C@@H](Cc1ccc(OCc2nc(oc2C)-c2cccs2)cc1)C(O)=O |r|
Show InChI InChI=1S/C20H21NO5S/c1-3-24-17(20(22)23)11-14-6-8-15(9-7-14)25-12-16-13(2)26-19(21-16)18-5-4-10-27-18/h4-10,17H,3,11-12H2,1-2H3,(H,22,23)/t17-/m0/s1
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n/an/an/an/a 0.0260n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50261879
PNG
(2-Methyl-c-5-{4-[2-(5-methyl-2-(5-methylthiophen-2...)
Show SMILES Cc1ccc(s1)-c1nc(CCOc2ccc(C[C@H]3CO[C@](C)(OC3)C(O)=O)cc2)c(C)o1 |r,wU:20.25,17.17,wD:20.21,(-9.95,-10.46,;-8.61,-11.22,;-7.21,-10.58,;-6.17,-11.72,;-6.93,-13.06,;-8.44,-12.75,;-6.29,-14.46,;-4.79,-14.77,;-4.61,-16.3,;-3.27,-17.06,;-1.94,-16.28,;-.6,-17.04,;.73,-16.26,;2.07,-17.02,;3.39,-16.24,;3.38,-14.7,;4.71,-13.92,;6.05,-14.68,;7.37,-13.89,;8.71,-14.65,;8.72,-16.19,;10.18,-15.74,;7.39,-16.97,;6.05,-16.21,;9.2,-17.65,;10.71,-17.96,;8.18,-18.8,;2.03,-13.94,;.71,-14.73,;-6.01,-16.93,;-6.32,-18.44,;-7.05,-15.8,)|
Show InChI InChI=1S/C24H27NO6S/c1-15-4-9-21(32-15)22-25-20(16(2)31-22)10-11-28-19-7-5-17(6-8-19)12-18-13-29-24(3,23(26)27)30-14-18/h4-9,18H,10-14H2,1-3H3,(H,26,27)/t18-,24+
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n/an/an/an/a 0.0300n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...


Bioorg Med Chem 16: 7117-27 (2008)


Article DOI: 10.1016/j.bmc.2008.06.050
BindingDB Entry DOI: 10.7270/Q2K93792
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50256109
PNG
((2s,5s)-2-methyl-5-(4-((5-methyl-2-p-tolyloxazol-4...)
Show SMILES Cc1oc(nc1COc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccc(C)cc1 |r,wU:13.13,16.21,wD:16.17,(24.31,-36.45,;23.08,-35.51,;21.61,-35.96,;20.73,-34.69,;21.66,-33.46,;23.12,-33.97,;24.38,-33.1,;25.68,-33.93,;27.05,-33.22,;28.34,-34.06,;29.7,-33.35,;29.78,-31.81,;31.15,-31.11,;32.44,-31.94,;33.81,-31.22,;35.1,-32.06,;35.03,-33.6,;36.49,-34.04,;33.66,-34.3,;32.37,-33.47,;35.37,-35.09,;36.84,-35.55,;34.24,-36.14,;28.47,-30.98,;27.11,-31.69,;19.19,-34.65,;18.46,-33.3,;16.92,-33.27,;16.11,-34.58,;14.57,-34.55,;16.86,-35.94,;18.4,-35.97,)|
Show InChI InChI=1S/C25H27NO6/c1-16-4-8-20(9-5-16)23-26-22(17(2)32-23)15-29-21-10-6-18(7-11-21)12-19-13-30-25(3,24(27)28)31-14-19/h4-11,19H,12-15H2,1-3H3,(H,27,28)/t19-,25+
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n/an/an/an/a 0.0720n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...


Bioorg Med Chem 16: 7117-27 (2008)


Article DOI: 10.1016/j.bmc.2008.06.050
BindingDB Entry DOI: 10.7270/Q2K93792
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50261703
PNG
(2-Methyl-c-5-{4-[2-(5-methyl-2-(4-methylphenyl)oxa...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccc(C)cc1 |r,wU:17.22,14.14,wD:17.18,(19.1,-51.29,;19.48,-49.8,;18.49,-48.61,;19.32,-47.31,;20.81,-47.69,;20.92,-49.23,;22.22,-50.05,;23.58,-49.34,;24.88,-50.16,;26.25,-49.45,;27.54,-50.28,;28.91,-49.56,;28.97,-48.02,;30.33,-47.3,;31.64,-48.13,;32.99,-47.4,;34.29,-48.23,;34.23,-49.77,;35.71,-49.39,;32.86,-50.48,;31.57,-49.66,;34.64,-51.25,;36.14,-51.63,;33.57,-52.35,;27.66,-47.2,;26.3,-47.92,;18.75,-45.88,;19.71,-44.68,;19.14,-43.25,;17.62,-43.02,;17.05,-41.59,;16.66,-44.24,;17.23,-45.67,)|
Show InChI InChI=1S/C26H29NO6/c1-17-4-8-21(9-5-17)24-27-23(18(2)33-24)12-13-30-22-10-6-19(7-11-22)14-20-15-31-26(3,25(28)29)32-16-20/h4-11,20H,12-16H2,1-3H3,(H,28,29)/t20-,26+
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n/an/an/an/a 0.0890n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...


Bioorg Med Chem 16: 7117-27 (2008)


Article DOI: 10.1016/j.bmc.2008.06.050
BindingDB Entry DOI: 10.7270/Q2K93792
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50349811
PNG
(CHEMBL1813008)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2cccs2)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H23NO5S/c1-3-25-18(21(23)24)13-15-6-8-16(9-7-15)26-11-10-17-14(2)27-20(22-17)19-5-4-12-28-19/h4-9,12,18H,3,10-11,13H2,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50041007
PNG
(CHEMBL3354987)
Show SMILES Cc1c(cccc1-c1ccc(\C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)o1)C(O)=O
Show InChI InChI=1S/C24H17FN2O6S/c1-13-17(3-2-4-18(13)23(30)31)19-10-9-16(33-19)11-20-22(29)27(24(32)34-20)12-21(28)26-15-7-5-14(25)6-8-15/h2-11H,12H2,1H3,(H,26,28)(H,30,31)/b20-11+
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n/an/an/an/a 0.160n/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARalpha ligand-binding domain (unknown origin) expressed in HEK293T cells incubated for 16 to 19 hrs by beta-lactam...


Bioorg Med Chem Lett 25: 270-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.052
BindingDB Entry DOI: 10.7270/Q2S18434
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50261702
PNG
(2-Methyl-c-5-[4-{2-(5-methyl-2-phenyloxazol-4-yl)e...)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccccc1 |r,wU:17.22,14.14,wD:17.18,(-6.59,-51.43,;-6.28,-49.93,;-7.32,-48.79,;-6.56,-47.45,;-5.05,-47.76,;-4.87,-49.29,;-3.53,-50.05,;-2.2,-49.27,;-.86,-50.03,;.46,-49.25,;1.8,-50.01,;3.13,-49.24,;3.12,-47.69,;4.44,-46.91,;5.78,-47.67,;7.1,-46.88,;8.44,-47.65,;8.45,-49.19,;9.91,-48.74,;7.12,-49.96,;5.79,-49.2,;8.94,-50.65,;10.45,-50.96,;7.92,-51.8,;1.77,-46.93,;.45,-47.72,;-7.2,-46.05,;-6.29,-44.8,;-6.93,-43.4,;-8.47,-43.25,;-9.36,-44.51,;-8.72,-45.91,)|
Show InChI InChI=1S/C25H27NO6/c1-17-22(26-23(32-17)20-6-4-3-5-7-20)12-13-29-21-10-8-18(9-11-21)14-19-15-30-25(2,24(27)28)31-16-19/h3-11,19H,12-16H2,1-2H3,(H,27,28)/t19-,25+
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n/an/an/an/a 0.272n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...


Bioorg Med Chem 16: 7117-27 (2008)


Article DOI: 10.1016/j.bmc.2008.06.050
BindingDB Entry DOI: 10.7270/Q2K93792
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50229206
PNG
(CHEMBL253310 | N-(4-(trifluoromethylsulfonamido)be...)
Show SMILES Cc1nc(sc1C(=O)NCc1ccc(NS(=O)(=O)C(F)(F)F)cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H15F6N3O3S2/c1-11-16(33-18(28-11)13-4-6-14(7-5-13)19(21,22)23)17(30)27-10-12-2-8-15(9-3-12)29-34(31,32)20(24,25)26/h2-9,29H,10H2,1H3,(H,27,30)
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n/an/an/an/a 0.300n/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha assessed as receptor activation by cell based assay


Bioorg Med Chem Lett 18: 710-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.053
BindingDB Entry DOI: 10.7270/Q2542NBN
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50261878
PNG
(2-Methyl-c-5-{4-[5-methyl-2-(5-methylthiophen-2-yl...)
Show SMILES Cc1ccc(s1)-c1nc(COc2ccc(C[C@H]3CO[C@](C)(OC3)C(O)=O)cc2)c(C)o1 |r,wU:16.16,19.24,wD:19.20,(16.23,-2.7,;17.45,-1.75,;17.4,-.22,;18.85,.31,;19.79,-.9,;18.92,-2.18,;21.33,-.86,;22.2,.42,;23.68,-.01,;25.03,.73,;26.34,-.07,;27.7,.67,;29.01,-.14,;30.36,.59,;30.4,2.13,;31.75,2.87,;33.06,2.07,;34.41,2.82,;35.72,2.01,;35.68,.47,;37.16,.87,;34.33,-.26,;33.02,.54,;36.12,-1,;37.62,-1.36,;35.06,-2.12,;29.07,2.94,;27.73,2.2,;23.72,-1.55,;25,-2.42,;22.28,-2.07,)|
Show InChI InChI=1S/C23H25NO6S/c1-14-4-9-20(31-14)21-24-19(15(2)30-21)13-27-18-7-5-16(6-8-18)10-17-11-28-23(3,22(25)26)29-12-17/h4-9,17H,10-13H2,1-3H3,(H,25,26)/t17-,23+
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n/an/an/an/a 0.600n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...


Bioorg Med Chem 16: 7117-27 (2008)


Article DOI: 10.1016/j.bmc.2008.06.050
BindingDB Entry DOI: 10.7270/Q2K93792
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50099491
PNG
(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)
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n/an/an/an/a 0.600n/an/an/an/a



University of Innsbruck

Curated by ChEMBL


Assay Description
Activation of PPARalpha transfected in HEK293 cells after 18 hrs by firefly luciferase reporter gene-based luminescence assay relative to control


J Nat Prod 74: 1779-86 (2011)


Article DOI: 10.1021/np200343t
BindingDB Entry DOI: 10.7270/Q26974ND
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50132472
PNG
((S)-2-{3-[4-(4-Fluoro-phenoxy)-benzylcarbamoyl]-4-...)
Show SMILES CC[C@@H](Cc1ccc(OC)c(c1)C(=O)NCc1ccc(Oc2ccc(F)cc2)cc1)C(O)=O
Show InChI InChI=1S/C26H26FNO5/c1-3-19(26(30)31)14-18-6-13-24(32-2)23(15-18)25(29)28-16-17-4-9-21(10-5-17)33-22-11-7-20(27)8-12-22/h4-13,15,19H,3,14,16H2,1-2H3,(H,28,29)(H,30,31)/t19-/m0/s1
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n/an/an/an/a 0.615n/an/an/an/a



Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Transcriptional activation activity on human T279M-mutant Peroxisome proliferator activated receptor alpha expressed in CHO-K1 cells


Bioorg Med Chem Lett 13: 3145-9 (2003)


BindingDB Entry DOI: 10.7270/Q20K280J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50615692
PNG
(SAROGLITAZAR | Saroglitazar)
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n/an/an/an/a 0.650n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50568096
PNG
(CHEMBL4866115)
Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(Cc3ccc(C)cc3)c2=O)cc1
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n/an/an/an/a 0.850n/an/an/an/a


TBA

Assay Description
Agonist activity at Gal4-fused human PPARalpha co-expressed with RXRalpha in monkey CV1 cells assessed as PPRE transcriptional activation incubated f...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116193
BindingDB Entry DOI: 10.7270/Q2N01B8M
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50568100
PNG
(CHEMBL4861761)
Show SMILES COc1ccc(Cn2c(CCCc3ccc(OC(C)(C)C(O)=O)cc3)nn(Cc3ccc(C)cc3)c2=O)cc1
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n/an/an/an/a 0.870n/an/an/an/a


TBA

Assay Description
Agonist activity at Gal4-fused human PPARalpha co-expressed with RXRalpha in monkey CV1 cells assessed as PPRE transcriptional activation incubated f...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116193
BindingDB Entry DOI: 10.7270/Q2N01B8M
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50099491
PNG
(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)
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n/an/an/an/a 0.890n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha expressed in HEK293 cells by luciferase reporter gene assay


Bioorg Med Chem Lett 24: 5265-7 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.053
BindingDB Entry DOI: 10.7270/Q2S46TKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50568097
PNG
(CHEMBL4879102)
Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(Cc3ccc(F)cc3)c2=O)cc1
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n/an/an/an/a 0.950n/an/an/an/a


TBA

Assay Description
Agonist activity at Gal4-fused human PPARalpha co-expressed with RXRalpha in monkey CV1 cells assessed as PPRE transcriptional activation incubated f...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116193
BindingDB Entry DOI: 10.7270/Q2N01B8M
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50099491
PNG
(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)
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00641
BindingDB Entry DOI: 10.7270/Q2K35ZR8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50214899
PNG
((R)-2-(3-((benzo[d]oxazol-2-yl(3-(4-methoxyphenoxy...)
Show SMILES CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(O)=O
Show InChI InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50099494
PNG
(2-(4-{2-[1-(4-Cyclohexyl-butyl)-3-(3,5-dichloro-ph...)
Show SMILES CC(C)(Sc1ccc(CCN(CCCCC2CCCCC2)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C(O)=O
Show InChI InChI=1S/C29H38Cl2N2O3S/c1-29(2,27(34)35)37-26-13-11-22(12-14-26)15-17-33(16-7-6-10-21-8-4-3-5-9-21)28(36)32-25-19-23(30)18-24(31)20-25/h11-14,18-21H,3-10,15-17H2,1-2H3,(H,32,36)(H,34,35)
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n/an/an/an/a 1n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
In vitro transcriptional activation in CV-1 cells expressing human Gal4-PPAR alpha ligand binding domain


Bioorg Med Chem Lett 11: 1225-7 (2001)


BindingDB Entry DOI: 10.7270/Q2Z31XX0
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50004755
PNG
(CHEMBL2237300)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Oc2ccccc2)C(O)=O)cc1)C1CCCCC1 |r|
Show InChI InChI=1S/C27H31NO5/c1-19-24(28-26(32-19)21-8-4-2-5-9-21)16-17-31-22-14-12-20(13-15-22)18-25(27(29)30)33-23-10-6-3-7-11-23/h3,6-7,10-15,21,25H,2,4-5,8-9,16-18H2,1H3,(H,29,30)/t25-/m0/s1
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TBA

Assay Description
Transactivation of GAL4-fused Homo sapiens (human) PPARalpha DNA binding domain expressed in African green monkey CV1 cells by luciferase reporter ge...


Citation and Details

Article DOI: 10.1007/s00044-012-0003-4
BindingDB Entry DOI: 10.7270/Q280544F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50004755
PNG
(CHEMBL2237300)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Oc2ccccc2)C(O)=O)cc1)C1CCCCC1 |r|
Show InChI InChI=1S/C27H31NO5/c1-19-24(28-26(32-19)21-8-4-2-5-9-21)16-17-31-22-14-12-20(13-15-22)18-25(27(29)30)33-23-10-6-3-7-11-23/h3,6-7,10-15,21,25H,2,4-5,8-9,16-18H2,1H3,(H,29,30)/t25-/m0/s1
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TBA

Assay Description
Transactivation of GAL4-fused Homo sapiens (human) PPARalpha DNA binding domain expressed in African green monkey CV1 cells by luciferase reporter ge...


Citation and Details

Article DOI: 10.1007/s00044-012-0003-4
BindingDB Entry DOI: 10.7270/Q280544F
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50063089
PNG
(CHEMBL3398443)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-8-4-2-5-9-23)16-17-37-25-14-12-22(13-15-25)18-24-19-33(20-27(24)30(34)35)31(36)39-26-10-6-3-7-11-26/h2-15,24,27H,16-20H2,1H3,(H,34,35)/t24-,27+/m1/s1
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n/an/an/an/a 1n/an/an/an/a



Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 tagged human PPARalpha ligand binding domain expressed in HEK293 cells by luciferase reporter gene assay


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))
BDBM50063089
PNG
(CHEMBL3398443)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)C(=O)Oc2ccccc2)cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C31H30N2O6/c1-21-28(32-29(38-21)23-8-4-2-5-9-23)16-17-37-25-14-12-22(13-15-25)18-24-19-33(20-27(24)30(34)35)31(36)39-26-10-6-3-7-11-26/h2-15,24,27H,16-20H2,1H3,(H,34,35)/t24-,27+/m1/s1
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Bristol-Myers Squibb Research and Development (R&D)

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 tagged human PPARalpha ligand binding domain expressed in HEK293 cells by luciferase reporter gene assay


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))
BDBM50145719
PNG
((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
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n/an/an/an/a 1n/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Transcriptional activation of reporter assay by human Peroxisome proliferator activated receptor alpha in CV-1 cells


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))
BDBM50214899
PNG
((R)-2-(3-((benzo[d]oxazol-2-yl(3-(4-methoxyphenoxy...)
Show SMILES CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(O)=O
Show InChI InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
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n/an/an/an/a 1n/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARalpha ligand-binding domain (unknown origin) expressed in HEK293T cells incubated for 16 to 19 hrs by beta-lactam...


Bioorg Med Chem Lett 25: 270-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.052
BindingDB Entry DOI: 10.7270/Q2S18434
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50179830
PNG
((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
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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


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))
BDBM50004755
PNG
(CHEMBL2237300)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Oc2ccccc2)C(O)=O)cc1)C1CCCCC1 |r|
Show InChI InChI=1S/C27H31NO5/c1-19-24(28-26(32-19)21-8-4-2-5-9-21)16-17-31-22-14-12-20(13-15-22)18-25(27(29)30)33-23-10-6-3-7-11-23/h3,6-7,10-15,21,25H,2,4-5,8-9,16-18H2,1H3,(H,29,30)/t25-/m0/s1
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TBA

Assay Description
Transactivation of Homo sapiens (human) PPARalpha assessed as luciferase activity by reporter gene assay


Citation and Details

Article DOI: 10.1007/s00044-011-9818-7
BindingDB Entry DOI: 10.7270/Q2R49TNP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50568099
PNG
(CHEMBL4855604)
Show SMILES COc1cccc(Cn2c(CCCc3ccc(OC(C)(C)C(O)=O)cc3)nn(Cc3ccc(C)cc3)c2=O)c1
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TBA

Assay Description
Agonist activity at Gal4-fused human PPARalpha co-expressed with RXRalpha in monkey CV1 cells assessed as PPRE transcriptional activation incubated f...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116193
BindingDB Entry DOI: 10.7270/Q2N01B8M
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50568102
PNG
(CHEMBL4847453)
Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(Cc3ccc(Cl)cc3)c2=O)cc1
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TBA

Assay Description
Agonist activity at Gal4-fused human PPARalpha co-expressed with RXRalpha in monkey CV1 cells assessed as PPRE transcriptional activation incubated f...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116193
BindingDB Entry DOI: 10.7270/Q2N01B8M
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50256108
PNG
(4-(6-(5-methyl-2-p-tolyloxazol-4-yl)hexyloxyimino)...)
Show SMILES Cc1oc(nc1CCCCCCO\N=C(\CCC(O)=O)c1ccccc1)-c1ccc(C)cc1
Show InChI InChI=1S/C27H32N2O4/c1-20-13-15-23(16-14-20)27-28-24(21(2)33-27)12-8-3-4-9-19-32-29-25(17-18-26(30)31)22-10-6-5-7-11-22/h5-7,10-11,13-16H,3-4,8-9,12,17-19H2,1-2H3,(H,30,31)/b29-25-
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Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha transactivation expressed in human HePG2 cells


Bioorg Med Chem Lett 18: 6471-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.062
BindingDB Entry DOI: 10.7270/Q2BK1D9Z
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50266550
PNG
(CHEMBL456912 | Methyl 7-(2-(5-methyl-2-p-tolyloxaz...)
Show SMILES COC(=O)c1cc2ccc(OCCc3nc(oc3C)-c3ccc(C)cc3)cc2oc1=O
Show InChI InChI=1S/C24H21NO6/c1-14-4-6-16(7-5-14)22-25-20(15(2)30-22)10-11-29-18-9-8-17-12-19(23(26)28-3)24(27)31-21(17)13-18/h4-9,12-13H,10-11H2,1-3H3
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Graduate School of the Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha in U2OS cells by transactivation assay


Eur J Med Chem 43: 2428-35 (2008)


Article DOI: 10.1016/j.ejmech.2008.01.029
BindingDB Entry DOI: 10.7270/Q2R78F08
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50214893
PNG
(2-(3-((benzo[d]oxazol-2-yl(3-(p-tolyloxy)propyl)am...)
Show SMILES CCC(Oc1cccc(CN(CCCOc2ccc(C)cc2)c2nc3ccccc3o2)c1)C(O)=O |w:2.1|
Show InChI InChI=1S/C28H30N2O5/c1-3-25(27(31)32)34-23-9-6-8-21(18-23)19-30(28-29-24-10-4-5-11-26(24)35-28)16-7-17-33-22-14-12-20(2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)
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n/an/an/an/a 1n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARalpha by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50214899
PNG
((R)-2-(3-((benzo[d]oxazol-2-yl(3-(4-methoxyphenoxy...)
Show SMILES CC[C@@H](Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(O)=O
Show InChI InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)/t25-/m1/s1
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n/an/an/an/a 1n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARalpha by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50214906
PNG
(2-(3-((benzo[d]oxazol-2-yl(3-(4-methoxyphenoxy)pro...)
Show SMILES CCC(Oc1cccc(CN(CCCOc2ccc(OC)cc2)c2nc3ccccc3o2)c1)C(O)=O |w:2.1|
Show InChI InChI=1S/C28H30N2O6/c1-3-25(27(31)32)35-23-9-6-8-20(18-23)19-30(28-29-24-10-4-5-11-26(24)36-28)16-7-17-34-22-14-12-21(33-2)13-15-22/h4-6,8-15,18,25H,3,7,16-17,19H2,1-2H3,(H,31,32)
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n/an/an/an/a 1n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARalpha by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50214914
PNG
(2-(3-((benzo[d]oxazol-2-yl(3-(2,4-dimethylphenoxy)...)
Show SMILES CCC(Oc1cccc(CN(CCCOc2ccc(C)cc2C)c2nc3ccccc3o2)c1)C(O)=O |w:2.1|
Show InChI InChI=1S/C29H32N2O5/c1-4-25(28(32)33)35-23-10-7-9-22(18-23)19-31(29-30-24-11-5-6-12-27(24)36-29)15-8-16-34-26-14-13-20(2)17-21(26)3/h5-7,9-14,17-18,25H,4,8,15-16,19H2,1-3H3,(H,32,33)
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n/an/an/an/a 1n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARalpha by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50214891
PNG
(2-(3-((benzo[d]oxazol-2-yl(3-(3,4-dimethylphenoxy)...)
Show SMILES CCC(Oc1cccc(CN(CCCOc2ccc(C)c(C)c2)c2nc3ccccc3o2)c1)C(O)=O |w:2.1|
Show InChI InChI=1S/C29H32N2O5/c1-4-26(28(32)33)35-24-10-7-9-22(18-24)19-31(29-30-25-11-5-6-12-27(25)36-29)15-8-16-34-23-14-13-20(2)21(3)17-23/h5-7,9-14,17-18,26H,4,8,15-16,19H2,1-3H3,(H,32,33)
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n/an/an/an/a 1n/an/an/an/a



Kowa Co.

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant PPARalpha by GAL4 transactivation assay


Bioorg Med Chem Lett 17: 4689-93 (2007)


Article DOI: 10.1016/j.bmcl.2007.05.066
BindingDB Entry DOI: 10.7270/Q2J67GM5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50261701
PNG
(2-Methyl-c-5-[4-(5-methyl-2-phenyloxazol-4-ylmetho...)
Show SMILES Cc1oc(nc1COc1ccc(C[C@H]2CO[C@](C)(OC2)C(O)=O)cc1)-c1ccccc1 |r,wU:13.13,16.21,wD:16.17,(-1.08,-34.97,;-2.35,-34.1,;-3.8,-34.62,;-4.75,-33.41,;-3.88,-32.13,;-2.4,-32.56,;-1.05,-31.82,;.27,-32.62,;1.62,-31.89,;2.93,-32.69,;4.28,-31.96,;4.32,-30.42,;5.67,-29.68,;6.99,-30.48,;8.33,-29.73,;9.65,-30.54,;9.61,-32.08,;11.08,-31.68,;8.25,-32.81,;6.94,-32.01,;10.05,-33.56,;11.54,-33.91,;8.99,-34.67,;3,-29.61,;1.65,-30.35,;-6.29,-33.46,;-7.09,-32.14,;-8.63,-32.19,;-9.36,-33.55,;-8.54,-34.86,;-7,-34.81,)|
Show InChI InChI=1S/C24H25NO6/c1-16-21(25-22(31-16)19-6-4-3-5-7-19)15-28-20-10-8-17(9-11-20)12-18-13-29-24(2,23(26)27)30-14-18/h3-11,18H,12-15H2,1-2H3,(H,26,27)/t18-,24+
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n/an/an/an/a 1.09n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Agonist activity at PPARalpha (unknown origin) expressed in human HepG2 cells assessed as induction of receptor transactivation by reporter gene assa...


Bioorg Med Chem 16: 7117-27 (2008)


Article DOI: 10.1016/j.bmc.2008.06.050
BindingDB Entry DOI: 10.7270/Q2K93792
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM61633
PNG
(2-[[3-[(4-amoxycarbonylphenyl)carbamoyl]phenyl]car...)
Show SMILES CCCCCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3C(O)=O)c2)cc1
Show InChI InChI=1S/C27H26N2O6/c1-2-3-6-16-35-27(34)18-12-14-20(15-13-18)28-24(30)19-8-7-9-21(17-19)29-25(31)22-10-4-5-11-23(22)26(32)33/h4-5,7-15,17H,2-3,6,16H2,1H3,(H,28,30)(H,29,31)(H,32,33)
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n/an/an/an/a 1.10n/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-tagged PPARalpha ligand-binding domain (unknown origin) expressed in HEK293T cells incubated for 16 to 19 hrs by beta-lactam...


Bioorg Med Chem Lett 25: 270-5 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.052
BindingDB Entry DOI: 10.7270/Q2S18434
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM28780
PNG
((3E)-3-(butoxyimino)-2-({4-[2-(5-methyl-2-phenyl-1...)
Show SMILES CCCCO\N=C(/C)C(Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H32N2O5/c1-4-5-16-33-29-19(2)24(27(30)31)18-21-11-13-23(14-12-21)32-17-15-25-20(3)34-26(28-25)22-9-7-6-8-10-22/h6-14,24H,4-5,15-18H2,1-3H3,(H,30,31)/b29-19+
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n/an/an/an/a 1.30n/an/an/an/a



LG Life Sciences



Assay Description
The HepG2 cells were co-transfected with DNA construct containing PPAR-Gal4 chimeric receptor and Gal4-luciferase reporter. EC50 is the concentration...


Bioorg Med Chem Lett 17: 937-41 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.050
BindingDB Entry DOI: 10.7270/Q2057D8J
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM539995
PNG
((E)-2-(4-(3-(2,7-dimethoxy-quinolin-3-yl)-3-oxo-1-...)
Show SMILES COc1ccc2cc(C(=O)\C=C\c3cc(C)c(OC(C)(C)C(O)=O)c(C)c3)c(OC)nc2c1
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n/an/an/an/a 1.33n/an/an/an/a


TBA

Assay Description
HEK293 cells were incubated in DMEM medium containing 10% of fetal bovine serum at 37° C. in the presence of 5% of CO2. 3×105/ml cells were plated in...


Citation and Details

BindingDB Entry DOI: 10.7270/Q26H4MMP
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50099491
PNG
(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)
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n/an/an/an/a 1.40n/an/an/an/a


TBA

Assay Description
Agonist activity at PPARalpha (unknown origin)


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c02002
BindingDB Entry DOI: 10.7270/Q2VQ36KV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50568098
PNG
(CHEMBL4877444)
Show SMILES Cc1ccc(Cn2nc(CCCc3ccc(OC(C)(C)C(O)=O)cc3)n(Cc3ccccc3)c2=O)cc1
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n/an/an/an/a 1.5n/an/an/an/a


TBA

Assay Description
Agonist activity at Gal4-fused human PPARalpha co-expressed with RXRalpha in monkey CV1 cells assessed as PPRE transcriptional activation incubated f...


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116193
BindingDB Entry DOI: 10.7270/Q2N01B8M
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50401638
PNG
(CHEMBL2204595)
Show SMILES Cc1oc(nc1CN(Cc1ccco1)Cc1cc(C)c(OC(C)(C)C(O)=O)c(C)c1)-c1ccccc1
Show InChI InChI=1S/C29H32N2O5/c1-19-14-22(15-20(2)26(19)36-29(4,5)28(32)33)16-31(17-24-12-9-13-34-24)18-25-21(3)35-27(30-25)23-10-7-6-8-11-23/h6-15H,16-18H2,1-5H3,(H,32,33)
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n/an/an/an/a 1.70n/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at GAL4-fused PPARalpha assessed as transcriptional activity by cell based assay


Bioorg Med Chem Lett 22: 7075-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.092
BindingDB Entry DOI: 10.7270/Q2HM59M5
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50099491
PNG
(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)
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n/an/an/an/a 1.80n/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of pan-PPAR fluormone from PPARalpha LBD by TR-FRET based LanthaScreen assay


J Med Chem 55: 4978-89 (2012)


Article DOI: 10.1021/jm300068n
BindingDB Entry DOI: 10.7270/Q2ZP4769
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))
BDBM50349816
PNG
(CHEMBL1813009)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccsc2)cc1)C(O)=O |r|
Show InChI InChI=1S/C21H23NO5S/c1-3-25-19(21(23)24)12-15-4-6-17(7-5-15)26-10-8-18-14(2)27-20(22-18)16-9-11-28-13-16/h4-7,9,11,13,19H,3,8,10,12H2,1-2H3,(H,23,24)/t19-/m0/s1
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n/an/an/an/a 1.90n/an/an/an/a



Zydus Research Centre

Curated by ChEMBL


Assay Description
Transactivation of human PPARalpha expressed in human HepG2 cells cotransfected with PPRE3-TK-Luc by luciferase reporter gene assay


Bioorg Med Chem Lett 21: 3103-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.020
BindingDB Entry DOI: 10.7270/Q2ZC837H
More data for this
Ligand-Target Pair
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