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Compile Data Set for Download or QSAR

Found 96 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha' AND taxid = 10116   
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


(Rattus norvegicus)
BDBM50032671
PNG
(6-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-TETRAHYDRONAPH...)
Show SMILES Cc1cc2c(cc1C1(CC1)c1ccc(cn1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27)
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>1.00E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determined


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


(Rattus norvegicus)
BDBM50133126
PNG
(5-[2-(3,5-Diisopropyl-2-propoxy-phenyl)-cyclopent-...)
Show SMILES CCCOc1c(cc(cc1C1=C(CCC1)\C=C\C(\C)=C\C(O)=O)C(C)C)C(C)C
Show InChI InChI=1S/C26H36O3/c1-7-13-29-26-23(18(4)5)15-21(17(2)3)16-24(26)22-10-8-9-20(22)12-11-19(6)14-25(27)28/h11-12,14-18H,7-10,13H2,1-6H3,(H,27,28)/b12-11+,19-14+
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>1.00E+3n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determined


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


(Rattus norvegicus)
BDBM50133128
PNG
(5-{2-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phen...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C25H32F2O3/c1-15(2)19-12-21(16(3)4)25(30-14-23(26)27)22(13-19)20-8-6-7-18(20)10-9-17(5)11-24(28)29/h9-13,15-16,23H,6-8,14H2,1-5H3,(H,28,29)/b10-9+,17-11+
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>1.00E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determined


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


(Rattus norvegicus)
BDBM50133121
PNG
(5-{3-[3-tert-Butyl-2-(2,2-difluoro-ethoxy)-5-ethyl...)
Show SMILES CCc1cc(-c2ccsc2\C=C\C(\C)=C\C(O)=O)c(OCC(F)F)c(c1)C(C)(C)C
Show InChI InChI=1S/C24H28F2O3S/c1-6-16-12-18(23(29-14-21(25)26)19(13-16)24(3,4)5)17-9-10-30-20(17)8-7-15(2)11-22(27)28/h7-13,21H,6,14H2,1-5H3,(H,27,28)/b8-7+,15-11+
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>1.00E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determined


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


(Rattus norvegicus)
BDBM50133127
PNG
(5-{3-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phenyl]...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1ccsc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C25H31FO3S/c1-16(2)19-14-21(17(3)4)25(29-11-6-10-26)22(15-19)20-9-12-30-23(20)8-7-18(5)13-24(27)28/h7-9,12-17H,6,10-11H2,1-5H3,(H,27,28)/b8-7+,18-13+
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>1.00E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determined


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


(Rattus norvegicus)
BDBM50133123
PNG
(5-{3-[3-tert-Butyl-5-ethyl-2-(3-fluoro-propoxy)-ph...)
Show SMILES CCc1cc(-c2ccsc2\C=C\C(\C)=C\C(O)=O)c(OCCCF)c(c1)C(C)(C)C
Show InChI InChI=1S/C25H31FO3S/c1-6-18-15-20(24(29-12-7-11-26)21(16-18)25(3,4)5)19-10-13-30-22(19)9-8-17(2)14-23(27)28/h8-10,13-16H,6-7,11-12H2,1-5H3,(H,27,28)/b9-8+,17-14+
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>1.00E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determined


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


(Rattus norvegicus)
BDBM50133124
PNG
(5-[3',5'-Di-tert-butyl-2'-(3-fluoro-propoxy)-biphe...)
Show SMILES C\C(\C=C\c1ccccc1-c1cc(cc(c1OCCCF)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C29H37FO3/c1-20(17-26(31)32)13-14-21-11-8-9-12-23(21)24-18-22(28(2,3)4)19-25(29(5,6)7)27(24)33-16-10-15-30/h8-9,11-14,17-19H,10,15-16H2,1-7H3,(H,31,32)/b14-13+,20-17+
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Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determined


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


(Rattus norvegicus)
BDBM50133122
PNG
(5-[2'-(2,2-Difluoro-ethoxy)-3',5'-diisopropyl-biph...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1ccccc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C26H30F2O3/c1-16(2)20-13-22(17(3)4)26(31-15-24(27)28)23(14-20)21-9-7-6-8-19(21)11-10-18(5)12-25(29)30/h6-14,16-17,24H,15H2,1-5H3,(H,29,30)/b11-10+,18-12+
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>1.00E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determined


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


(Rattus norvegicus)
BDBM50129720
PNG
((2E,4E,6Z)-7-[3,5-Di-tert-butyl-2-(2,2-difluoro-et...)
Show SMILES C\C(\C=C\C=C(\C)c1cc(cc(c1OCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C25H34F2O3/c1-16(12-22(28)29)10-9-11-17(2)19-13-18(24(3,4)5)14-20(25(6,7)8)23(19)30-15-21(26)27/h9-14,21H,15H2,1-8H3,(H,28,29)/b10-9+,16-12+,17-11-
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Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determined


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


(Rattus norvegicus)
BDBM50133119
PNG
(5-{2-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-p...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)(F)F)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C25H31F3O3/c1-15(2)19-12-21(16(3)4)24(31-14-25(26,27)28)22(13-19)20-8-6-7-18(20)10-9-17(5)11-23(29)30/h9-13,15-16H,6-8,14H2,1-5H3,(H,29,30)/b10-9+,17-11+
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Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determined


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


(Rattus norvegicus)
BDBM50133118
PNG
(5-{3-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phen...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1ccsc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C24H28F2O3S/c1-14(2)17-11-19(15(3)4)24(29-13-22(25)26)20(12-17)18-8-9-30-21(18)7-6-16(5)10-23(27)28/h6-12,14-15,22H,13H2,1-5H3,(H,27,28)/b7-6+,16-10+
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>1.00E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determined


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


(Rattus norvegicus)
BDBM50133120
PNG
(5-{3-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-p...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)(F)F)c(c1)-c1ccsc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C24H27F3O3S/c1-14(2)17-11-19(15(3)4)23(30-13-24(25,26)27)20(12-17)18-8-9-31-21(18)7-6-16(5)10-22(28)29/h6-12,14-15H,13H2,1-5H3,(H,28,29)/b7-6+,16-10+
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Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determined


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


(Rattus norvegicus)
BDBM50133115
PNG
(5-[2'-(3-Fluoro-propoxy)-3',5'-diisopropyl-bipheny...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1ccccc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C27H33FO3/c1-18(2)22-16-24(19(3)4)27(31-14-8-13-28)25(17-22)23-10-7-6-9-21(23)12-11-20(5)15-26(29)30/h6-7,9-12,15-19H,8,13-14H2,1-5H3,(H,29,30)/b12-11+,20-15+
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Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determined


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


(Rattus norvegicus)
BDBM50133125
PNG
(5-{3-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethoxy)-p...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)(F)F)c(c1)-c1cnccc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C25H28F3NO3/c1-15(2)19-11-20(16(3)4)24(32-14-25(26,27)28)21(12-19)22-13-29-9-8-18(22)7-6-17(5)10-23(30)31/h6-13,15-16H,14H2,1-5H3,(H,30,31)/b7-6+,17-10+
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Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determined


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


(Rattus norvegicus)
BDBM50133117
PNG
(5-{2-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phenyl]...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)-c1occc1\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C25H31FO4/c1-16(2)20-14-21(17(3)4)25(29-11-6-10-26)22(15-20)24-19(9-12-30-24)8-7-18(5)13-23(27)28/h7-9,12-17H,6,10-11H2,1-5H3,(H,27,28)/b8-7+,18-13+
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Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determined


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


(Rattus norvegicus)
BDBM50133114
PNG
(5-{2-[2-(3-Fluoro-propoxy)-3,5-diisopropyl-phenyl]...)
Show SMILES CC(C)c1cc(C(C)C)c(OCCCF)c(c1)C1=C(CCC1)\C=C\C(\C)=C\C(O)=O
Show InChI InChI=1S/C26H35FO3/c1-17(2)21-15-23(18(3)4)26(30-13-7-12-27)24(16-21)22-9-6-8-20(22)11-10-19(5)14-25(28)29/h10-11,14-18H,6-9,12-13H2,1-5H3,(H,28,29)/b11-10+,19-14+
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Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determined


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


(Rattus norvegicus)
BDBM50133116
PNG
((2E,4E)-5-{3-[3,5-Di-tert-butyl-2-(3,3-difluoro-pr...)
Show SMILES C\C(\C=C\c1sccc1-c1cc(cc(c1OCCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Show InChI InChI=1S/C27H34F2O3S/c1-17(14-24(30)31)8-9-22-19(11-13-33-22)20-15-18(26(2,3)4)16-21(27(5,6)7)25(20)32-12-10-23(28)29/h8-9,11,13-16,23H,10,12H2,1-7H3,(H,30,31)/b9-8+,17-14+
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Ligand Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Binding affinity for peroxisome Peroxisome proliferator activated receptor alpha was determined


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor alpha


(Rattus norvegicus)
BDBM28800
PNG
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27)
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n/an/an/an/a 317n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
EC50 is the concentration of test compounds needed to induce 50% of the maximum luciferase activity in HEK cells transfected with PPAR and Gal4-lucif...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome Proliferator-Activated Receptor alpha


(Rattus norvegicus)
BDBM28802
PNG
(2-{[(5-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)
Show SMILES COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F
Show InChI InChI=1S/C22H20ClFN2O6/c1-13-19(25-21(32-13)14-3-5-16(23)6-4-14)12-31-17-7-8-18(24)15(9-17)10-26(11-20(27)28)22(29)30-2/h3-9H,10-12H2,1-2H3,(H,27,28)
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n/an/an/an/a 123n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
EC50 is the concentration of test compounds needed to induce 50% of the maximum luciferase activity in HEK cells transfected with PPAR and Gal4-lucif...


Citation and Details
More data for this
Ligand-Target Pair
Peroxisome Proliferator-Activated Receptor alpha


(Rattus norvegicus)
BDBM28803
PNG
(2-[4-(4-chlorophenoxy)phenoxy]propanoic acid | Clo...)
Show SMILES CC(Oc1ccc(Oc2ccc(Cl)cc2)cc1)C(O)=O
Show InChI InChI=1S/C15H13ClO4/c1-10(15(17)18)19-12-6-8-14(9-7-12)20-13-4-2-11(16)3-5-13/h2-10H,1H3,(H,17,18)
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n/an/an/an/a 1.77E+4n/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
EC50 is the concentration of test compounds needed to induce 50% of the maximum luciferase activity in HEK cells transfected with PPAR and Gal4-lucif...


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


(Rattus norvegicus)
BDBM50109110
PNG
((S)-2-(4-methoxy-3-(4-(trifluoromethyl)benzylcarba...)
Show SMILES CC[C@@H](Cc1ccc(OC)c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C21H22F3NO4/c1-3-15(20(27)28)10-14-6-9-18(29-2)17(11-14)19(26)25-12-13-4-7-16(8-5-13)21(22,23)24/h4-9,11,15H,3,10,12H2,1-2H3,(H,25,26)(H,27,28)/t15-/m0/s1
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n/an/an/an/a 5.20E+3n/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro effective concentration for agonist activity on rat Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor in transfected C...


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


(Rattus norvegicus)
BDBM50085042
PNG
(2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...)
Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
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n/an/an/an/a 4.90E+4n/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
In vitro effective concentration for agonist activity on rat Peroxisome proliferator activated receptor alpha-Gal4 chimeric receptor in transfected C...


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


(Rattus norvegicus)
BDBM50134839
PNG
((S)-3-{4-[(E)-5-(4-{(E)-5-[4-((S)-2-Carboxy-2-etho...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2ccc(cc2)C#C\C=C\COc2ccc(C[C@H](OCC)C(O)=O)cc2)cc1)C(O)=O
Show InChI InChI=1S/C38H38O8/c1-3-43-35(37(39)40)27-31-17-21-33(22-18-31)45-25-9-5-7-11-29-13-15-30(16-14-29)12-8-6-10-26-46-34-23-19-32(20-24-34)28-36(38(41)42)44-4-2/h5-6,9-10,13-24,35-36H,3-4,25-28H2,1-2H3,(H,39,40)(H,41,42)/b9-5+,10-6+/t35-,36-/m0/s1
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n/an/an/an/a 6.30E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of rat Peroxisome proliferator activated receptor alpha


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


(Rattus norvegicus)
BDBM50134841
PNG
((S)-3-{4-[(E)-5-(3-{(E)-5-[4-((S)-2-Carboxy-2-etho...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2cccc(c2)C#C\C=C\COc2ccc(C[C@H](OCC)C(O)=O)cc2)cc1)C(O)=O
Show InChI InChI=1S/C38H38O8/c1-3-43-35(37(39)40)27-31-16-20-33(21-17-31)45-24-9-5-7-12-29-14-11-15-30(26-29)13-8-6-10-25-46-34-22-18-32(19-23-34)28-36(38(41)42)44-4-2/h5-6,9-11,14-23,26,35-36H,3-4,24-25,27-28H2,1-2H3,(H,39,40)(H,41,42)/b9-5+,10-6+/t35-,36-/m0/s1
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n/an/an/an/a 4.60E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of rat Peroxisome proliferator activated receptor alpha


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


(Rattus norvegicus)
BDBM28700
PNG
(2-{4-[(4-chlorophenyl)carbonyl]phenoxy}-2-methylpr...)
Show SMILES CC(C)(Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1)C(O)=O
Show InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
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n/an/an/an/a 1.31E+5n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of rat Peroxisome proliferator activated receptor alpha


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


(Rattus norvegicus)
BDBM50134840
PNG
((S)-2-Ethoxy-3-[4-((E)-5-phenyl-pent-2-en-4-ynylox...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C\C#Cc2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C22H22O4/c1-2-25-21(22(23)24)17-19-12-14-20(15-13-19)26-16-8-4-7-11-18-9-5-3-6-10-18/h3-6,8-10,12-15,21H,2,16-17H2,1H3,(H,23,24)/b8-4+/t21-/m0/s1
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n/an/an/an/a 700n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of rat Peroxisome proliferator activated receptor alpha


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


(Rattus norvegicus)
BDBM50134838
PNG
((S)-3-{4-[(E)-3-(4'-{(E)-3-[4-((S)-2-Carboxy-2-eth...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C(/C)c2ccc(cc2)-c2ccc(cc2)C(\C)=C\COc2ccc(C[C@H](OCC)C(O)=O)cc2)cc1)C(O)=O
Show InChI InChI=1S/C42H46O8/c1-5-47-39(41(43)44)27-31-7-19-37(20-8-31)49-25-23-29(3)33-11-15-35(16-12-33)36-17-13-34(14-18-36)30(4)24-26-50-38-21-9-32(10-22-38)28-40(42(45)46)48-6-2/h7-24,39-40H,5-6,25-28H2,1-4H3,(H,43,44)(H,45,46)/b29-23+,30-24+/t39-,40-/m0/s1
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n/an/an/an/a 1.99E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of rat Peroxisome proliferator activated receptor alpha


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


(Rattus norvegicus)
BDBM50134842
PNG
((S)-3-[4-((E)-3-Biphenyl-4-yl-but-2-enyloxy)-pheny...)
Show SMILES CCO[C@@H](Cc1ccc(OC\C=C(/C)c2ccc(cc2)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C27H28O4/c1-3-30-26(27(28)29)19-21-9-15-25(16-10-21)31-18-17-20(2)22-11-13-24(14-12-22)23-7-5-4-6-8-23/h4-17,26H,3,18-19H2,1-2H3,(H,28,29)/b20-17+/t26-/m0/s1
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n/an/an/an/a 1.11E+4n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of rat Peroxisome proliferator activated receptor alpha


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


(Rattus norvegicus)
BDBM24566
PNG
(2-({4-chloro-6-[(2,3-dimethylphenyl)amino]pyrimidi...)
Show SMILES Cc1cccc(Nc2cc(Cl)nc(SCC(O)=O)n2)c1C
Show InChI InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)
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n/an/an/an/a 2.10E+3n/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
In vitro transactivation of rat Peroxisome proliferator activated receptor alpha


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


(Rattus norvegicus)
BDBM50175259
PNG
((R)-N-(5-chloro-2-methylphenyl)-2-ethylpiperidine-...)
Show SMILES CC[C@@H]1CCCCN1C(=S)Nc1cc(Cl)ccc1C
Show InChI InChI=1S/C15H21ClN2S/c1-3-13-6-4-5-9-18(13)15(19)17-14-10-12(16)8-7-11(14)2/h7-8,10,13H,3-6,9H2,1-2H3,(H,17,19)/t13-/m1/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Activity against PPAR-alpha


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


(Rattus norvegicus)
BDBM50175260
PNG
(1-(5-chloro-2-methylphenyl)-3-propylthiourea | CHE...)
Show SMILES CCCNC(=S)Nc1cc(Cl)ccc1C
Show InChI InChI=1S/C11H15ClN2S/c1-3-6-13-11(15)14-10-7-9(12)5-4-8(10)2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Activity against PPAR-alpha


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


(Rattus norvegicus)
BDBM50175262
PNG
((S)-N-(5-chloro-2-methylphenyl)-2-ethylpiperidine-...)
Show SMILES CC[C@H]1CCCCN1C(=S)Nc1cc(Cl)ccc1C
Show InChI InChI=1S/C15H21ClN2S/c1-3-13-6-4-5-9-18(13)15(19)17-14-10-12(16)8-7-11(14)2/h7-8,10,13H,3-6,9H2,1-2H3,(H,17,19)/t13-/m0/s1
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n/an/an/an/a>1.00E+5n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Activity against PPAR-alpha


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


(Rattus norvegicus)
BDBM50175261
PNG
(1-(5-chloro-2-methylphenyl)-3-isobutylthiourea | C...)
Show SMILES CC(C)CNC(=S)Nc1cc(Cl)ccc1C
Show InChI InChI=1S/C12H17ClN2S/c1-8(2)7-14-12(16)15-11-6-10(13)5-4-9(11)3/h4-6,8H,7H2,1-3H3,(H2,14,15,16)
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n/an/an/an/a>1.00E+5n/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Activity against PPAR-alpha


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


(Rattus norvegicus)
BDBM50227663
PNG
(2-methyl-2-(2-(1-pentyl-3-(4-(trifluoromethoxy)phe...)
Show SMILES CCCCCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H31F3N2O4S/c1-4-5-6-13-31(24(34)30-19-8-10-21(11-9-19)35-26(27,28)29)20-14-17-7-12-22(16-18(17)15-20)36-25(2,3)23(32)33/h7-12,16,20H,4-6,13-15H2,1-3H3,(H,30,34)(H,32,33)
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n/an/an/an/a 105n/an/an/an/a



Johnson& Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


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


(Rattus norvegicus)
BDBM50227664
PNG
(2-(2-(1-ethyl-3-(4-(trifluoromethoxy)phenyl)ureido...)
Show SMILES CCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H25F3N2O4S/c1-4-28(21(31)27-16-6-8-18(9-7-16)32-23(24,25)26)17-11-14-5-10-19(13-15(14)12-17)33-22(2,3)20(29)30/h5-10,13,17H,4,11-12H2,1-3H3,(H,27,31)(H,29,30)
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n/an/an/an/a 33n/an/an/an/a



Johnson& Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


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


(Rattus norvegicus)
BDBM50227665
PNG
(2-(2-(3-(3-fluorophenyl)-1-heptylureido)-2,3-dihyd...)
Show SMILES CCCCCCCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1cccc(F)c1
Show InChI InChI=1S/C27H35FN2O3S/c1-4-5-6-7-8-14-30(26(33)29-22-11-9-10-21(28)18-22)23-15-19-12-13-24(17-20(19)16-23)34-27(2,3)25(31)32/h9-13,17-18,23H,4-8,14-16H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 2.67E+3n/an/an/an/a



Johnson& Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


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


(Rattus norvegicus)
BDBM50227666
PNG
(2-(2-(1-butyl-3-(4-(trifluoromethylthio)phenyl)ure...)
Show SMILES CCCCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C25H29F3N2O3S2/c1-4-5-12-30(23(33)29-18-7-10-20(11-8-18)35-25(26,27)28)19-13-16-6-9-21(15-17(16)14-19)34-24(2,3)22(31)32/h6-11,15,19H,4-5,12-14H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 160n/an/an/an/a



Johnson& Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


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


(Rattus norvegicus)
BDBM50227667
PNG
(2-(2-(3-(3-chlorophenyl)-1-heptylureido)-2,3-dihyd...)
Show SMILES CCCCCCCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C27H35ClN2O3S/c1-4-5-6-7-8-14-30(26(33)29-22-11-9-10-21(28)18-22)23-15-19-12-13-24(17-20(19)16-23)34-27(2,3)25(31)32/h9-13,17-18,23H,4-8,14-16H2,1-3H3,(H,29,33)(H,31,32)
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n/an/an/an/a 2.09E+3n/an/an/an/a



Johnson& Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


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


(Rattus norvegicus)
BDBM50227668
PNG
(2-methyl-2-(2-(1-propyl-3-(4-(trifluoromethoxy)phe...)
Show SMILES CCCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H27F3N2O4S/c1-4-11-29(22(32)28-17-6-8-19(9-7-17)33-24(25,26)27)18-12-15-5-10-20(14-16(15)13-18)34-23(2,3)21(30)31/h5-10,14,18H,4,11-13H2,1-3H3,(H,28,32)(H,30,31)
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n/an/an/an/a 158n/an/an/an/a



Johnson& Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


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


(Rattus norvegicus)
BDBM50227672
PNG
(2-(2-(1-ethyl-3-methyl-3-(4-(trifluoromethoxy)phen...)
Show SMILES CCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)N(C)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C24H27F3N2O4S/c1-5-29(22(32)28(4)17-7-9-19(10-8-17)33-24(25,26)27)18-12-15-6-11-20(14-16(15)13-18)34-23(2,3)21(30)31/h6-11,14,18H,5,12-13H2,1-4H3,(H,30,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Johnson& Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


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


(Rattus norvegicus)
BDBM50227670
PNG
((S)-2-methyl-2-(2-(3-(4-(trifluoromethoxy)phenyl)u...)
Show SMILES CC(C)(Sc1ccc2C[C@@H](Cc2c1)NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C21H21F3N2O4S/c1-20(2,18(27)28)31-17-8-3-12-9-15(10-13(12)11-17)26-19(29)25-14-4-6-16(7-5-14)30-21(22,23)24/h3-8,11,15H,9-10H2,1-2H3,(H,27,28)(H2,25,26,29)/t15-/m0/s1
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n/an/an/an/a 1.11E+3n/an/an/an/a



Johnson& Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


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


(Rattus norvegicus)
BDBM50227671
PNG
(2-(2-(1-heptyl-3-(4-isopropylphenyl)ureido)-2,3-di...)
Show SMILES CCCCCCCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(cc1)C(C)C
Show InChI InChI=1S/C30H42N2O3S/c1-6-7-8-9-10-17-32(29(35)31-25-14-11-22(12-15-25)21(2)3)26-18-23-13-16-27(20-24(23)19-26)36-30(4,5)28(33)34/h11-16,20-21,26H,6-10,17-19H2,1-5H3,(H,31,35)(H,33,34)
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n/an/an/an/a 252n/an/an/an/a



Johnson& Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


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


(Rattus norvegicus)
BDBM50227673
PNG
(2-(2-(3-(2-bromo-4-(trifluoromethoxy)phenyl)-1-eth...)
Show SMILES CCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(OC(F)(F)F)cc1Br
Show InChI InChI=1S/C23H24BrF3N2O4S/c1-4-29(21(32)28-19-8-6-16(12-18(19)24)33-23(25,26)27)15-9-13-5-7-17(11-14(13)10-15)34-22(2,3)20(30)31/h5-8,11-12,15H,4,9-10H2,1-3H3,(H,28,32)(H,30,31)
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n/an/an/an/a>1.00E+3n/an/an/an/a



Johnson& Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


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


(Rattus norvegicus)
BDBM50227674
PNG
(2-(2-(1-ethyl-3-(4-(trifluoromethylthio)phenyl)ure...)
Show SMILES CCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(SC(F)(F)F)cc1
Show InChI InChI=1S/C23H25F3N2O3S2/c1-4-28(21(31)27-16-6-9-18(10-7-16)33-23(24,25)26)17-11-14-5-8-19(13-15(14)12-17)32-22(2,3)20(29)30/h5-10,13,17H,4,11-12H2,1-3H3,(H,27,31)(H,29,30)
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n/an/an/an/a 23n/an/an/an/a



Johnson& Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


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


(Rattus norvegicus)
BDBM50227675
PNG
((S)-2-(2-(1-ethyl-3-(4-(trifluoromethoxy)phenyl)ur...)
Show SMILES CCN([C@H]1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H25F3N2O4S/c1-4-28(21(31)27-16-6-8-18(9-7-16)32-23(24,25)26)17-11-14-5-10-19(13-15(14)12-17)33-22(2,3)20(29)30/h5-10,13,17H,4,11-12H2,1-3H3,(H,27,31)(H,29,30)/t17-/m0/s1
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n/an/an/an/a 165n/an/an/an/a



Johnson& Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


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


(Rattus norvegicus)
BDBM50227676
PNG
(2-methyl-2-(2-(3-pentyl-3-(4-(trifluoromethoxy)phe...)
Show SMILES CCCCCN(C(=O)NC1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C26H31F3N2O4S/c1-4-5-6-13-31(20-8-10-21(11-9-20)35-26(27,28)29)24(34)30-19-14-17-7-12-22(16-18(17)15-19)36-25(2,3)23(32)33/h7-12,16,19H,4-6,13-15H2,1-3H3,(H,30,34)(H,32,33)
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n/an/an/an/a>5.00E+3n/an/an/an/a



Johnson& Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


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


(Rattus norvegicus)
BDBM50227669
PNG
((R)-2-(2-(1-ethyl-3-(4-(trifluoromethoxy)phenyl)ur...)
Show SMILES CCN([C@@H]1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C23H25F3N2O4S/c1-4-28(21(31)27-16-6-8-18(9-7-16)32-23(24,25)26)17-11-14-5-10-19(13-15(14)12-17)33-22(2,3)20(29)30/h5-10,13,17H,4,11-12H2,1-3H3,(H,27,31)(H,29,30)/t17-/m1/s1
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n/an/an/an/a 2n/an/an/an/a



Johnson& Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


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


(Rattus norvegicus)
BDBM50227678
PNG
(2-(2-(1-hexyl-3-(4-isopropylphenyl)ureido)-2,3-dih...)
Show SMILES CCCCCCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(cc1)C(C)C
Show InChI InChI=1S/C29H40N2O3S/c1-6-7-8-9-16-31(28(34)30-24-13-10-21(11-14-24)20(2)3)25-17-22-12-15-26(19-23(22)18-25)35-29(4,5)27(32)33/h10-15,19-20,25H,6-9,16-18H2,1-5H3,(H,30,34)(H,32,33)
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n/an/an/an/a 180n/an/an/an/a



Johnson& Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


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


(Rattus norvegicus)
BDBM50227677
PNG
(2-(2-(3-(4-(dimethylamino)phenyl)-1-ethylureido)-2...)
Show SMILES CCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(cc1)N(C)C
Show InChI InChI=1S/C24H31N3O3S/c1-6-27(23(30)25-18-8-10-19(11-9-18)26(4)5)20-13-16-7-12-21(15-17(16)14-20)31-24(2,3)22(28)29/h7-12,15,20H,6,13-14H2,1-5H3,(H,25,30)(H,28,29)
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n/an/an/an/a 117n/an/an/an/a



Johnson& Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


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


(Rattus norvegicus)
BDBM50227679
PNG
(2-(2-(1-butyl-3-(4-(dimethylamino)phenyl)ureido)-2...)
Show SMILES CCCCN(C1Cc2ccc(SC(C)(C)C(O)=O)cc2C1)C(=O)Nc1ccc(cc1)N(C)C
Show InChI InChI=1S/C26H35N3O3S/c1-6-7-14-29(25(32)27-20-9-11-21(12-10-20)28(4)5)22-15-18-8-13-23(17-19(18)16-22)33-26(2,3)24(30)31/h8-13,17,22H,6-7,14-16H2,1-5H3,(H,27,32)(H,30,31)
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n/an/an/an/a 561n/an/an/an/a



Johnson& Johnson

Curated by ChEMBL


Assay Description
Agonist activity at rat PPARalpha in rat H4IIE cells assessed as gene induction


Citation and Details
More data for this
Ligand-Target Pair
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