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Compile Data Set for Download or QSAR

Found 4033 hits Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor alpha (PPAR alpha)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50151001
PNG
((S)-2-((Z)-1-Methyl-3-oxo-3-phenyl-propenylamino)-...)
Show SMILES CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C31H30N2O5/c1-21(19-29(34)24-9-5-3-6-10-24)32-28(31(35)36)20-23-13-15-26(16-14-23)37-18-17-27-22(2)38-30(33-27)25-11-7-4-8-12-25/h3-16,28H,17-20H2,1-2H3,(H,35,36)/t28-/m0/s1
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2n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human peroxisome proliferator activated receptor alpha


J Med Chem 47: 4118-27 (2004)

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


(Homo sapiens (Human))
BDBM50124379
PNG
(2-(4-(3-(3-phenyl-7-propylbenzo[d]isoxazol-6-yloxy...)
Show SMILES CCCc1c(OCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H27NO5/c1-2-7-22-24(15-14-23-26(28-33-27(22)23)20-8-4-3-5-9-20)32-17-6-16-31-21-12-10-19(11-13-21)18-25(29)30/h3-5,8-15H,2,6-7,16-18H2,1H3,(H,29,30)
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3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50145710
PNG
(2-Methyl-3-{4-[2-(5-methyl-2-thiophen-2-yl-oxazol-...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1cccs1
Show InChI InChI=1S/C26H25NO5S/c1-18-22(27-24(31-18)23-9-6-16-33-23)14-15-30-20-12-10-19(11-13-20)17-26(2,25(28)29)32-21-7-4-3-5-8-21/h3-13,16H,14-15,17H2,1-2H3,(H,28,29)
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4n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human peroxisome proliferator activated receptor alpha


J Med Chem 47: 4118-27 (2004)

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


(Homo sapiens (Human))
BDBM50124385
PNG
(3-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-yloxy)-...)
Show SMILES CCCc1c(OCCCCOc2cccc(c2)C(O)=O)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H27NO5/c1-2-9-22-24(15-14-23-25(28-33-26(22)23)19-10-4-3-5-11-19)32-17-7-6-16-31-21-13-8-12-20(18-21)27(29)30/h3-5,8,10-15,18H,2,6-7,9,16-17H2,1H3,(H,29,30)
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5.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50124386
PNG
(CHEMBL367311 | {4-[4-(3-Phenyl-7-propyl-benzo[d]is...)
Show SMILES CCCc1c(OCCCCOc2ccc(CC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C28H29NO5/c1-2-8-23-25(16-15-24-27(29-34-28(23)24)21-9-4-3-5-10-21)33-18-7-6-17-32-22-13-11-20(12-14-22)19-26(30)31/h3-5,9-16H,2,6-8,17-19H2,1H3,(H,30,31)
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7n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM33283
PNG
((3-{4-[(3-phenyl-7-propyl-1,2-benzisoxazol-6-yl)ox...)
Show SMILES CCCc1c(OCCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C28H29NO5/c1-2-9-23-25(15-14-24-27(29-34-28(23)24)21-11-4-3-5-12-21)33-17-7-6-16-32-22-13-8-10-20(18-22)19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)
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7.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50124377
PNG
(3-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OCCCOc2ccc(CCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C28H29NO5/c1-2-7-23-25(16-15-24-27(29-34-28(23)24)21-8-4-3-5-9-21)33-19-6-18-32-22-13-10-20(11-14-22)12-17-26(30)31/h3-5,8-11,13-16H,2,6-7,12,17-19H2,1H3,(H,30,31)
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7.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50124374
PNG
(3-{4-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OCCCCOc2ccc(CCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C29H31NO5/c1-2-8-24-26(17-16-25-28(30-35-29(24)25)22-9-4-3-5-10-22)34-20-7-6-19-33-23-14-11-21(12-15-23)13-18-27(31)32/h3-5,9-12,14-17H,2,6-8,13,18-20H2,1H3,(H,31,32)
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7.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50124384
PNG
(CHEMBL173494 | {4-[3-(3-Phenyl-7-propyl-benzo[d]is...)
Show SMILES CCCc1c(OCCCOc2ccc(OCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H27NO6/c1-2-7-22-24(15-14-23-26(28-34-27(22)23)19-8-4-3-5-9-19)32-17-6-16-31-20-10-12-21(13-11-20)33-18-25(29)30/h3-5,8-15H,2,6-7,16-18H2,1H3,(H,29,30)
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8.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50124378
PNG
(2-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OCCCOc2ccc(OC(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C28H29NO6/c1-3-8-23-25(16-15-24-26(29-35-27(23)24)20-9-5-4-6-10-20)33-18-7-17-32-21-11-13-22(14-12-21)34-19(2)28(30)31/h4-6,9-16,19H,3,7-8,17-18H2,1-2H3,(H,30,31)
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9.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50124389
PNG
(2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...)
Show SMILES CCCc1c(OCCCCOc2ccc(CC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C31H35NO5/c1-4-10-25-27(18-17-26-28(32-37-29(25)26)23-11-6-5-7-12-23)36-20-9-8-19-35-24-15-13-22(14-16-24)21-31(2,3)30(33)34/h5-7,11-18H,4,8-10,19-21H2,1-3H3,(H,33,34)
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10n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human peroxisome proliferator activated receptor alpha


J Med Chem 47: 4118-27 (2004)

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


(Homo sapiens (Human))
BDBM50132566
PNG
((4-Chloro-phenyl)-(5,7-dipropyl-3-trifluoromethyl-...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO4/c1-3-5-13-11-16-19(31-27-20(16)22(24,25)26)15(6-4-2)17(13)30-18(21(28)29)12-7-9-14(23)10-8-12/h7-11,18H,3-6H2,1-2H3,(H,28,29)
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10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) was determined by HTRF assay


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


(Homo sapiens (Human))
BDBM50124383
PNG
(3-{4-[2-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OCCOc2ccc(CCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H27NO5/c1-2-6-22-24(15-14-23-26(28-33-27(22)23)20-7-4-3-5-8-20)32-18-17-31-21-12-9-19(10-13-21)11-16-25(29)30/h3-5,7-10,12-15H,2,6,11,16-18H2,1H3,(H,29,30)
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50132563
PNG
((S)-(5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxaz...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1O[C@H](C(O)=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO4/c1-3-8-14-12-16-19(30-26-20(16)22(23,24)25)15(9-4-2)17(14)29-18(21(27)28)13-10-6-5-7-11-13/h5-7,10-12,18H,3-4,8-9H2,1-2H3,(H,27,28)/t18-/m0/s1
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50124389
PNG
(2,2-Dimethyl-3-{4-[4-(3-phenyl-7-propyl-benzo[d]is...)
Show SMILES CCCc1c(OCCCCOc2ccc(CC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C31H35NO5/c1-4-10-25-27(18-17-26-28(32-37-29(25)26)23-11-6-5-7-12-23)36-20-9-8-19-35-24-15-13-22(14-16-24)21-31(2,3)30(33)34/h5-7,11-18H,4,8-10,19-21H2,1-3H3,(H,33,34)
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13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50132574
PNG
((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C25H28F3NO4/c1-5-7-17-13-19-22(33-29-23(19)25(26,27)28)18(8-6-2)20(17)32-21(24(30)31)16-11-9-15(10-12-16)14(3)4/h9-14,21H,5-8H2,1-4H3,(H,30,31)
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14n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) was determined by HTRF assay


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


(Homo sapiens (Human))
BDBM50124369
PNG
(CHEMBL367019 | {3-Chloro-4-[3-(3-phenyl-7-propyl-b...)
Show SMILES CCCc1c(OCCCSc2ccc(CC(O)=O)cc2Cl)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H26ClNO4S/c1-2-7-20-23(12-11-21-26(29-33-27(20)21)19-8-4-3-5-9-19)32-14-6-15-34-24-13-10-18(16-22(24)28)17-25(30)31/h3-5,8-13,16H,2,6-7,14-15,17H2,1H3,(H,30,31)
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14n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50132567
PNG
((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO4/c1-3-8-14-12-16-19(30-26-20(16)22(23,24)25)15(9-4-2)17(14)29-18(21(27)28)13-10-6-5-7-11-13/h5-7,10-12,18H,3-4,8-9H2,1-2H3,(H,27,28)
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15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) was determined by HTRF assay


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


(Homo sapiens (Human))
BDBM50124394
PNG
(2-Methyl-2-{4-[4-(3-phenyl-7-propyl-benzo[d]isoxaz...)
Show SMILES CCCc1c(OCCCCOc2ccc(OC(C)(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C30H33NO6/c1-4-10-24-26(18-17-25-27(31-37-28(24)25)21-11-6-5-7-12-21)35-20-9-8-19-34-22-13-15-23(16-14-22)36-30(2,3)29(32)33/h5-7,11-18H,4,8-10,19-20H2,1-3H3,(H,32,33)
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17n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50132564
PNG
((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H21F6NO4/c1-3-5-13-11-16-19(34-30-20(16)23(27,28)29)15(6-4-2)17(13)33-18(21(31)32)12-7-9-14(10-8-12)22(24,25)26/h7-11,18H,3-6H2,1-2H3,(H,31,32)
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18n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50124372
PNG
((E)-3-{4-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-...)
Show SMILES CCCc1c(OCCCCOc2ccc(\C=C\C(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C29H29NO5/c1-2-8-24-26(17-16-25-28(30-35-29(24)25)22-9-4-3-5-10-22)34-20-7-6-19-33-23-14-11-21(12-15-23)13-18-27(31)32/h3-5,9-18H,2,6-8,19-20H2,1H3,(H,31,32)/b18-13+
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18n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50132561
PNG
((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(OCc2ccccn2)cc1)C(F)(F)F
Show InChI InChI=1S/C28H27F3N2O5/c1-3-7-18-15-22-25(38-33-26(22)28(29,30)31)21(8-4-2)23(18)37-24(27(34)35)17-10-12-20(13-11-17)36-16-19-9-5-6-14-32-19/h5-6,9-15,24H,3-4,7-8,16H2,1-2H3,(H,34,35)
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19n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) was determined by HTRF assay


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


(Homo sapiens (Human))
BDBM50132564
PNG
((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H21F6NO4/c1-3-5-13-11-16-19(34-30-20(16)23(27,28)29)15(6-4-2)17(13)33-18(21(31)32)12-7-9-14(10-8-12)22(24,25)26/h7-11,18H,3-6H2,1-2H3,(H,31,32)
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23n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) was determined by HTRF assay


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


(Homo sapiens (Human))
BDBM50124375
PNG
(2-Methyl-2-{4-[4-(3-phenyl-7-propyl-benzo[d]isoxaz...)
Show SMILES CCCc1c(OCCCCOc2ccc(cc2)C(C)(C)C(O)=O)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C30H33NO5/c1-4-10-24-26(18-17-25-27(31-36-28(24)25)21-11-6-5-7-12-21)35-20-9-8-19-34-23-15-13-22(14-16-23)30(2,3)29(32)33/h5-7,11-18H,4,8-10,19-20H2,1-3H3,(H,32,33)
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23n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50132565
PNG
((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(CCc2ccccn2)cc1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N2O4/c1-3-7-20-17-23-26(38-34-27(23)29(30,31)32)22(8-4-2)24(20)37-25(28(35)36)19-13-10-18(11-14-19)12-15-21-9-5-6-16-33-21/h5-6,9-11,13-14,16-17,25H,3-4,7-8,12,15H2,1-2H3,(H,35,36)
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28n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) was determined by HTRF assay


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


(Homo sapiens (Human))
BDBM50132576
PNG
(4-(Carboxy-phenyl-methoxy)-3-methyl-5-propyl-benzo...)
Show SMILES CCCc1cc(cc(C)c1OC(C(O)=O)c1ccccc1)C(=O)OC
Show InChI InChI=1S/C20H22O5/c1-4-8-15-12-16(20(23)24-3)11-13(2)17(15)25-18(19(21)22)14-9-6-5-7-10-14/h5-7,9-12,18H,4,8H2,1-3H3,(H,21,22)
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28n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50131503
PNG
(5-{3-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO5S/c1-2-8-19-17-23(33-21-10-4-3-5-11-21)13-14-24(19)32-16-7-15-31-22-12-6-9-20(18-22)25-26(29)28-27(30)34-25/h3-6,9-14,17-18,29H,2,7-8,15-16H2,1H3,(H,28,30)
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PubMed
30n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human peroxisome proliferator activated receptor alpha


J Med Chem 47: 4118-27 (2004)

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


(Homo sapiens (Human))
BDBM50132574
PNG
((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(cc1)C(C)C)C(F)(F)F
Show InChI InChI=1S/C25H28F3NO4/c1-5-7-17-13-19-22(33-29-23(19)25(26,27)28)18(8-6-2)20(17)32-21(24(30)31)16-11-9-15(10-12-16)14(3)4/h9-14,21H,5-8H2,1-4H3,(H,30,31)
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36n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50132568
PNG
((3-Hydroxy-4-propionyl-2,6-dipropyl-phenoxy)-pheny...)
Show SMILES CCCc1cc(C(=O)CC)c(O)c(CCC)c1OC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H28O5/c1-4-10-16-14-18(19(24)6-3)20(25)17(11-5-2)21(16)28-22(23(26)27)15-12-8-7-9-13-15/h7-9,12-14,22,25H,4-6,10-11H2,1-3H3,(H,26,27)
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37n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) was determined by HTRF assay


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


(Homo sapiens (Human))
BDBM50132567
PNG
((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccccc1)C(F)(F)F
Show InChI InChI=1S/C22H22F3NO4/c1-3-8-14-12-16-19(30-26-20(16)22(23,24)25)15(9-4-2)17(14)29-18(21(27)28)13-10-6-5-7-11-13/h5-7,10-12,18H,3-4,8-9H2,1-2H3,(H,27,28)
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37n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50132571
PNG
((5-Chloro-3-ethyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OC(C(O)=O)c2ccccc2)c(Cl)cc2c(CC)noc12
Show InChI InChI=1S/C20H20ClNO4/c1-3-8-13-18-14(16(4-2)22-26-18)11-15(21)19(13)25-17(20(23)24)12-9-6-5-7-10-12/h5-7,9-11,17H,3-4,8H2,1-2H3,(H,23,24)
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38n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50124387
PNG
(2-Methyl-2-{3-[4-(3-phenyl-7-propyl-benzo[d]isoxaz...)
Show SMILES CCCc1c(OCCCCOc2cccc(c2)C(C)(C)C(O)=O)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C30H33NO5/c1-4-11-24-26(17-16-25-27(31-36-28(24)25)21-12-6-5-7-13-21)35-19-9-8-18-34-23-15-10-14-22(20-23)30(2,3)29(32)33/h5-7,10,12-17,20H,4,8-9,11,18-19H2,1-3H3,(H,32,33)
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46n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50124392
PNG
(2-{4-[4-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OCCCCOc2ccc(OC(C)C(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C29H31NO6/c1-3-9-24-26(17-16-25-27(30-36-28(24)25)21-10-5-4-6-11-21)34-19-8-7-18-33-22-12-14-23(15-13-22)35-20(2)29(31)32/h4-6,10-17,20H,3,7-9,18-19H2,1-2H3,(H,31,32)
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47n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50124371
PNG
((E)-3-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-...)
Show SMILES CCCc1c(OCCCOc2ccc(\C=C\C(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C28H27NO5/c1-2-7-23-25(16-15-24-27(29-34-28(23)24)21-8-4-3-5-9-21)33-19-6-18-32-22-13-10-20(11-14-22)12-17-26(30)31/h3-5,8-17H,2,6-7,18-19H2,1H3,(H,30,31)/b17-12+
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50n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50124388
PNG
(3-{3-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OCCCOc2cccc(CCC(O)=O)c2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C28H29NO5/c1-2-8-23-25(15-14-24-27(29-34-28(23)24)21-10-4-3-5-11-21)33-18-7-17-32-22-12-6-9-20(19-22)13-16-26(30)31/h3-6,9-12,14-15,19H,2,7-8,13,16-18H2,1H3,(H,30,31)
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53n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50132575
PNG
(4-(Carboxy-phenyl-methoxy)-3-chloro-5-propyl-benzo...)
Show SMILES CCCc1cc(cc(Cl)c1OC(C(O)=O)c1ccccc1)C(=O)OC
Show InChI InChI=1S/C19H19ClO5/c1-3-7-13-10-14(19(23)24-2)11-15(20)16(13)25-17(18(21)22)12-8-5-4-6-9-12/h4-6,8-11,17H,3,7H2,1-2H3,(H,21,22)
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57n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50132570
PNG
((3-Ethyl-5,7-dipropyl-benzo[d]isoxazol-6-yloxy)-ph...)
Show SMILES CCCc1cc2c(CC)noc2c(CCC)c1OC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H27NO4/c1-4-10-16-14-18-19(6-3)24-28-22(18)17(11-5-2)20(16)27-21(23(25)26)15-12-8-7-9-13-15/h7-9,12-14,21H,4-6,10-11H2,1-3H3,(H,25,26)
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61n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50132572
PNG
(4-(Carboxy-phenyl-methoxy)-3,5-dipropyl-benzoic ac...)
Show SMILES CCCc1cc(cc(CCC)c1OC(C(O)=O)c1ccccc1)C(=O)OC
Show InChI InChI=1S/C22H26O5/c1-4-9-16-13-18(22(25)26-3)14-17(10-5-2)19(16)27-20(21(23)24)15-11-7-6-8-12-15/h6-8,11-14,20H,4-5,9-10H2,1-3H3,(H,23,24)
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63n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50132561
PNG
((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(OCc2ccccn2)cc1)C(F)(F)F
Show InChI InChI=1S/C28H27F3N2O5/c1-3-7-18-15-22-25(38-33-26(22)28(29,30)31)21(8-4-2)23(18)37-24(27(34)35)17-10-12-20(13-11-17)36-16-19-9-5-6-14-32-19/h5-6,9-15,24H,3-4,7-8,16H2,1-2H3,(H,34,35)
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64n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50132565
PNG
((5,7-Dipropyl-3-trifluoromethyl-benzo[d]isoxazol-6...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(CCc2ccccn2)cc1)C(F)(F)F
Show InChI InChI=1S/C29H29F3N2O4/c1-3-7-20-17-23-26(38-34-27(23)29(30,31)32)22(8-4-2)24(20)37-25(28(35)36)19-13-10-18(11-14-19)12-15-21-9-5-6-16-33-21/h5-6,9-11,13-14,16-17,25H,3-4,7-8,12,15H2,1-2H3,(H,35,36)
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65n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50106960
PNG
((S)-3-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy...)
Show SMILES CCCN[C@@H](Cc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O
Show InChI InChI=1S/C24H28N2O4/c1-3-14-25-22(24(27)28)16-18-9-11-20(12-10-18)29-15-13-21-17(2)30-23(26-21)19-7-5-4-6-8-19/h4-12,22,25H,3,13-16H2,1-2H3,(H,27,28)/t22-/m0/s1
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72n/an/an/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human Peroxisome proliferator activated receptor alpha using scintillation proximity assay


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


(Homo sapiens (Human))
BDBM50124381
PNG
(CHEMBL172718 | {3-[3-(3-Phenyl-7-propyl-benzo[d]is...)
Show SMILES CCCc1c(OCCCOc2cccc(CC(O)=O)c2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C27H27NO5/c1-2-8-22-24(14-13-23-26(28-33-27(22)23)20-10-4-3-5-11-20)32-16-7-15-31-21-12-6-9-19(17-21)18-25(29)30/h3-6,9-14,17H,2,7-8,15-16,18H2,1H3,(H,29,30)
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76n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50132570
PNG
((3-Ethyl-5,7-dipropyl-benzo[d]isoxazol-6-yloxy)-ph...)
Show SMILES CCCc1cc2c(CC)noc2c(CCC)c1OC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H27NO4/c1-4-10-16-14-18-19(6-3)24-28-22(18)17(11-5-2)20(16)27-21(23(25)26)15-12-8-7-9-13-15/h7-9,12-14,21H,4-6,10-11H2,1-3H3,(H,25,26)
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80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha) was determined by HTRF assay


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


(Homo sapiens (Human))
BDBM50132568
PNG
((3-Hydroxy-4-propionyl-2,6-dipropyl-phenoxy)-pheny...)
Show SMILES CCCc1cc(C(=O)CC)c(O)c(CCC)c1OC(C(O)=O)c1ccccc1
Show InChI InChI=1S/C23H28O5/c1-4-10-16-14-18(19(24)6-3)20(25)17(11-5-2)21(16)28-22(23(26)27)15-12-8-7-9-13-15/h7-9,12-14,22,25H,4-6,10-11H2,1-3H3,(H,26,27)
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81n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50124391
PNG
(CHEMBL176421 | {2-[4-(3-Phenyl-7-propyl-benzo[d]is...)
Show SMILES CCCc1c(OCCCCOc2ccccc2CC(O)=O)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C28H29NO5/c1-2-10-22-25(16-15-23-27(29-34-28(22)23)20-11-4-3-5-12-20)33-18-9-8-17-32-24-14-7-6-13-21(24)19-26(30)31/h3-7,11-16H,2,8-10,17-19H2,1H3,(H,30,31)
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86n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50132578
PNG
(CHEMBL109161 | Phenyl-(7-propyl-3-trifluoromethyl-...)
Show SMILES CCCc1c(OC(C(O)=O)c2ccccc2)ccc2c(noc12)C(F)(F)F
Show InChI InChI=1S/C19H16F3NO4/c1-2-6-12-14(26-15(18(24)25)11-7-4-3-5-8-11)10-9-13-16(12)27-23-17(13)19(20,21)22/h3-5,7-10,15H,2,6H2,1H3,(H,24,25)
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98n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50132566
PNG
((4-Chloro-phenyl)-(5,7-dipropyl-3-trifluoromethyl-...)
Show SMILES CCCc1cc2c(noc2c(CCC)c1OC(C(O)=O)c1ccc(Cl)cc1)C(F)(F)F
Show InChI InChI=1S/C22H21ClF3NO4/c1-3-5-13-11-16-19(31-27-20(16)22(24,25)26)15(6-4-2)17(13)30-18(21(28)29)12-7-9-14(23)10-8-12/h7-11,18H,3-6H2,1-2H3,(H,28,29)
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105n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50124376
PNG
(4-{4-[3-(3-Phenyl-7-propyl-benzo[d]isoxazol-6-ylox...)
Show SMILES CCCc1c(OCCCOc2ccc(CCCC(O)=O)cc2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C29H31NO5/c1-2-8-24-26(18-17-25-28(30-35-29(24)25)22-10-4-3-5-11-22)34-20-7-19-33-23-15-13-21(14-16-23)9-6-12-27(31)32/h3-5,10-11,13-18H,2,6-9,12,19-20H2,1H3,(H,31,32)
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121n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50124370
PNG
(CHEMBL173409 | {3-[4-(3-Phenyl-7-propyl-benzo[d]is...)
Show SMILES CCCc1c(OCCCCOc2cccc(OCC(O)=O)c2)ccc2c(noc12)-c1ccccc1
Show InChI InChI=1S/C28H29NO6/c1-2-9-23-25(15-14-24-27(29-35-28(23)24)20-10-4-3-5-11-20)33-17-7-6-16-32-21-12-8-13-22(18-21)34-19-26(30)31/h3-5,8,10-15,18H,2,6-7,9,16-17,19H2,1H3,(H,30,31)
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133n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity towards human peroxisome proliferator activated receptor alpha (PPAR alpha)


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


(Homo sapiens (Human))
BDBM50195080
PNG
(2-((5-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...)
Show SMILES Cc1oc(nc1CCOc1ccc(CC2(CCCO2)C(O)=O)nc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H23ClN2O5/c1-15-20(26-21(31-15)16-3-5-17(24)6-4-16)9-12-29-19-8-7-18(25-14-19)13-23(22(27)28)10-2-11-30-23/h3-8,14H,2,9-13H2,1H3,(H,27,28)
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Article
PubMed
150n/an/an/an/an/an/an/an/a



Pfizer Global R&D

Curated by ChEMBL


Assay Description
Displacement of radiolabeled GW2331 from human PPAR alpha by SPA assay


Bioorg Med Chem Lett 16: 6116-9 (2006)

More data for this
Ligand-Target Pair
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