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Compile Data Set for Download or QSAR

Found 2962 hits of ec50 data for polymerid = 50001011,50001090,50001091,3441,50001090,50001091,9947   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50349809
PNG
(CHEMBL1813006)
Show SMILES CCO[C@@H](Cc1ccc(OCc2nc(oc2C)-c2ccc(C)s2)cc1)C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50349808
PNG
(CHEMBL1813005)
Show SMILES CCO[C@@H](Cc1ccc(OCc2nc(oc2C)-c2sccc2C)cc1)C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50349812
PNG
(CHEMBL1813010)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2sccc2C)cc1)C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50349813
PNG
(CHEMBL1813011)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccc(C)s2)cc1)C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50349807
PNG
(CHEMBL1813003)
Show SMILES CCO[C@@H](Cc1ccc(OCc2nc(oc2C)-c2cccs2)cc1)C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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
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...


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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
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...


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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
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...


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50349811
PNG
(CHEMBL1813008)
Show SMILES CCO[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2cccs2)cc1)C(O)=O
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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50171900
PNG
((S)-3-Phenyl-2-(4-thiophen-2-yl-phenoxy)-propionic...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1cccs1
Show InChI InChI=1S/C19H16O3S/c20-19(21)17(13-14-5-2-1-3-6-14)22-16-10-8-15(9-11-16)18-7-4-12-23-18/h1-12,17H,13H2,(H,20,21)/t17-/m0/s1
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n/an/an/an/a 0.150n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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...


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM28759
PNG
((2S)-3-phenyl-2-(4-phenylphenoxy)propanoic acid | ...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50171898
PNG
((S)-3-Phenyl-2-(4-trifluoromethyl-phenoxy)-propion...)
Show SMILES OC(=O)[C@H](Cc1ccccc1)Oc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C16H13F3O3/c17-16(18,19)12-6-8-13(9-7-12)22-14(15(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,20,21)/t14-/m0/s1
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n/an/an/an/a 0.270n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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
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...


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50171895
PNG
((2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | (...)
Show SMILES CCc1ccc(O[C@@H](Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C17H18O3/c1-2-13-8-10-15(11-9-13)20-16(17(18)19)12-14-6-4-3-5-7-14/h3-11,16H,2,12H2,1H3,(H,18,19)/t16-/m0/s1
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n/an/an/an/a 0.350n/an/an/an/a



Università degli Studi di Milano

Curated by ChEMBL


Assay Description
Effective concentration against murine PPARalpha in transactivation assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50293851
PNG
((2R)-2-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...)
Show SMILES CC[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C28H23ClF3NO5/c1-3-24(27(35)36)37-20-6-4-5-17(13-20)15-33-16(2)25(26(34)18-7-9-19(29)10-8-18)22-12-11-21(14-23(22)33)38-28(30,31)32/h4-14,24H,3,15H2,1-2H3,(H,35,36)/t24-/m1/s1
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n/an/an/an/a 0.550n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at dog PPARalpha receptor


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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
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...


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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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Kyorin Pharmaceutical Co., Ltd.

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50172002
PNG
(6-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-propoxy...)
Show SMILES CCC1(Cc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C21H20ClF3O6/c1-2-20(19(26)27)12-13-4-5-14(11-18(13)31-20)28-8-3-9-29-17-7-6-15(10-16(17)22)30-21(23,24)25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,26,27)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
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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GlaxoSmithKline

Curated by ChEMBL


Assay Description
Activation of murine PPAR alpha ligand binding domain


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

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50171996
PNG
(2-Ethyl-5-[3-(2-propyl-4-trifluoromethylsulfanyl-p...)
Show SMILES CCCc1cc(SC(F)(F)F)ccc1OCCCOc1ccc2OC(CC)(Cc2c1)C(O)=O
Show InChI InChI=1S/C24H27F3O5S/c1-3-6-16-14-19(33-24(25,26)27)8-10-20(16)31-12-5-11-30-18-7-9-21-17(13-18)15-23(4-2,32-21)22(28)29/h7-10,13-14H,3-6,11-12,15H2,1-2H3,(H,28,29)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of compound towards Factor Xa


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50172003
PNG
((R)-5-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...)
Show SMILES CC(C)[C@]1(Cc2cc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O6/c1-13(2)21(20(27)28)12-14-10-15(4-6-18(14)32-21)29-8-3-9-30-19-7-5-16(11-17(19)23)31-22(24,25)26/h4-7,10-11,13H,3,8-9,12H2,1-2H3,(H,27,28)/t21-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50171993
PNG
(5-[3-(2-Chloro-4-trifluoromethylsulfanyl-phenoxy)-...)
Show SMILES CCC1(Cc2cc(OCCCOc3ccc(SC(F)(F)F)cc3Cl)ccc2O1)C(O)=O
Show InChI InChI=1S/C21H20ClF3O5S/c1-2-20(19(26)27)12-13-10-14(4-6-17(13)30-20)28-8-3-9-29-18-7-5-15(11-16(18)22)31-21(23,24)25/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,26,27)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50109164
PNG
(CHEMBL3601095)
Show SMILES CCCCCNC(=O)c1ccc(NC(=O)c2cccc(CN3[C@@H](Cc4ccccc4)COC3=O)c2)cc1
Show InChI InChI=1/C30H33N3O4/c1-2-3-7-17-31-28(34)24-13-15-26(16-14-24)32-29(35)25-12-8-11-23(18-25)20-33-27(21-37-30(33)36)19-22-9-5-4-6-10-22/h4-6,8-16,18,27H,2-3,7,17,19-21H2,1H3,(H,31,34)(H,32,35)/t27-/s2
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IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha transfected in human MCF7 cells after 16 hrs by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50109165
PNG
(CHEMBL3601094)
Show SMILES FC(F)(F)c1ccc(CNC(=O)c2ccc(NC(=O)c3cccc(CN4[C@@H](Cc5ccccc5)COC4=O)c3)cc2)cc1
Show InChI InChI=1/C33H28F3N3O4/c34-33(35,36)27-13-9-23(10-14-27)19-37-30(40)25-11-15-28(16-12-25)38-31(41)26-8-4-7-24(17-26)20-39-29(21-43-32(39)42)18-22-5-2-1-3-6-22/h1-17,29H,18-21H2,(H,37,40)(H,38,41)/t29-/s2
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IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha transfected in human MCF7 cells after 16 hrs by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50109196
PNG
(CHEMBL3601092)
Show SMILES O=C(NCC1CCCCC1)c1ccc(NC(=O)c2cccc(CN3[C@H](Cc4ccccc4)COC3=O)c2)cc1
Show InChI InChI=1/C32H35N3O4/c36-30(33-20-24-10-5-2-6-11-24)26-14-16-28(17-15-26)34-31(37)27-13-7-12-25(18-27)21-35-29(22-39-32(35)38)19-23-8-3-1-4-9-23/h1,3-4,7-9,12-18,24,29H,2,5-6,10-11,19-22H2,(H,33,36)(H,34,37)/t29-/s2
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IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha transfected in human MCF7 cells after 16 hrs by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50109262
PNG
(CHEMBL3601088)
Show SMILES FC(F)(F)c1ccc(CNC(=O)c2ccc(NC(=O)c3cccc(CN4[C@H](Cc5ccccc5)COC4=O)c3)cc2)cc1
Show InChI InChI=1/C33H28F3N3O4/c34-33(35,36)27-13-9-23(10-14-27)19-37-30(40)25-11-15-28(16-12-25)38-31(41)26-8-4-7-24(17-26)20-39-29(21-43-32(39)42)18-22-5-2-1-3-6-22/h1-17,29H,18-21H2,(H,37,40)(H,38,41)/t29-/s2
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IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha transfected in human MCF7 cells after 16 hrs by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50109159
PNG
(CHEMBL3600934)
Show SMILES O=C(NCc1ccccc1)c1ccc(NC(=O)c2cccc(CN3[C@H](Cc4ccccc4)COC3=O)c2)cc1
Show InChI InChI=1/C32H29N3O4/c36-30(33-20-24-10-5-2-6-11-24)26-14-16-28(17-15-26)34-31(37)27-13-7-12-25(18-27)21-35-29(22-39-32(35)38)19-23-8-3-1-4-9-23/h1-18,29H,19-22H2,(H,33,36)(H,34,37)/t29-/s2
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IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at human PPARalpha transfected in human MCF7 cells after 16 hrs by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50004755
PNG
(CHEMBL2237300)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Oc2ccccc2)C(O)=O)cc1)C1CCCCC1
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
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50293846
PNG
((+)-2-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluo...)
Show SMILES CC[C@@](C)(Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O
Show InChI InChI=1S/C29H25ClF3NO5/c1-4-28(3,27(36)37)38-21-7-5-6-18(14-21)16-34-17(2)25(26(35)19-8-10-20(30)11-9-19)23-13-12-22(15-24(23)34)39-29(31,32)33/h5-15H,4,16H2,1-3H3,(H,36,37)/t28-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at mouse PPARalpha receptor expressed in african green monkey COS1 cells co-transfected with fused yeast Gal4-DBD by transactivation...


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50172004
PNG
((S)-5-{3-[2-Chloro-4-(2,2,2-trifluoro-ethyl)-pheno...)
Show SMILES CC[C@]1(Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O5/c1-2-21(20(27)28)13-15-11-16(5-7-18(15)31-21)29-8-3-9-30-19-6-4-14(10-17(19)23)12-22(24,25)26/h4-7,10-11H,2-3,8-9,12-13H2,1H3,(H,27,28)/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Factor Xa


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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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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)

More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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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Lilly Research Laboratories

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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
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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Kowa Co.

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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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Kowa Co.

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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...


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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
Show InChI InChI=1/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+/s2
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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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50004755
PNG
(CHEMBL2237300)
Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Oc2ccccc2)C(O)=O)cc1)C1CCCCC1
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
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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
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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Kowa Co.

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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
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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Kowa Co.

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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
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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Kowa Co.

Curated by ChEMBL


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


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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
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...


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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...


Citation and Details
More data for this
Ligand-Target Pair
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