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PubMed code 16384704

Compile data set for download or QSAR
Found 86 hits of Enzyme Inhibition Constant Data   
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))
BDBM50179830
PNG
((S)-2-(4-(3-(2-chloro-4-cyclohexylphenoxy)propoxy)...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(cc2Cl)C2CCCCC2)cc1)C(O)=O
Show InChI InChI=1S/C27H35ClO4/c1-3-27(2,26(29)30)19-20-10-13-23(14-11-20)31-16-7-17-32-25-15-12-22(18-24(25)28)21-8-5-4-6-9-21/h10-15,18,21H,3-9,16-17,19H2,1-2H3,(H,29,30)/t27-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179824
PNG
((S)-2-(4-(3-(2-chloro-4-(trifluoromethoxy)phenoxy)...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(OC(F)(F)F)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C22H24ClF3O5/c1-3-21(2,20(27)28)14-15-5-7-16(8-6-15)29-11-4-12-30-19-10-9-17(13-18(19)23)31-22(24,25)26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,27,28)/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179833
PNG
((S)-2-(4-(3-(2-chloro-4-(trifluoromethyl)phenoxy)p...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(cc2Cl)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C22H24ClF3O4/c1-3-21(2,20(27)28)14-15-5-8-17(9-6-15)29-11-4-12-30-19-10-7-16(13-18(19)23)22(24,25)26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,27,28)/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179818
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CCC(C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-3-27(2,26(30)31)18-19-5-9-21(10-6-19)32-15-4-16-33-25-14-13-23(17-24(25)28)34-22-11-7-20(29)8-12-22/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,30,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179826
PNG
((R)-2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)p...)
Show SMILES CC[C@](C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-3-27(2,26(30)31)18-19-5-9-21(10-6-19)32-15-4-16-33-25-14-13-23(17-24(25)28)34-22-11-7-20(29)8-12-22/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,30,31)/t27-/m1/s1
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Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179836
PNG
((S)-2-(4-(3-(2-chloro-4-(2,2,2-trifluoroethoxy)phe...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(OCC(F)(F)F)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C23H26ClF3O5/c1-3-22(2,21(28)29)14-16-5-7-17(8-6-16)30-11-4-12-31-20-10-9-18(13-19(20)24)32-15-23(25,26)27/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,28,29)/t22-/m0/s1
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n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179816
PNG
((S)-2-(4-(3-(2-chloro-4-(4,4-dimethylcyclohexyl)ph...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(cc2Cl)C2CCC(C)(C)CC2)cc1)C(O)=O
Show InChI InChI=1S/C29H39ClO4/c1-5-29(4,27(31)32)20-21-7-10-24(11-8-21)33-17-6-18-34-26-12-9-23(19-25(26)30)22-13-15-28(2,3)16-14-22/h7-12,19,22H,5-6,13-18,20H2,1-4H3,(H,31,32)/t29-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



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Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179829
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CCC(CC)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C28H30ClFO5/c1-3-28(4-2,27(31)32)19-20-6-10-22(11-7-20)33-16-5-17-34-26-15-14-24(18-25(26)29)35-23-12-8-21(30)9-13-23/h6-15,18H,3-5,16-17,19H2,1-2H3,(H,31,32)
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Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179828
PNG
((S)-2-((4-(3-(6-chloro-2-oxo-4-(trifluoromethyl)-2...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2cc3oc(=O)cc(c3cc2Cl)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C25H24ClF3O6/c1-3-24(2,23(31)32)14-15-5-7-16(8-6-15)33-9-4-10-34-21-13-20-17(11-19(21)26)18(25(27,28)29)12-22(30)35-20/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,31,32)/t24-/m0/s1
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Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179844
PNG
((S)-2-(4-(3-(2-chloro-4-(methylsulfonyloxy)phenoxy...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(OS(C)(=O)=O)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C22H27ClO7S/c1-4-22(2,21(24)25)15-16-6-8-17(9-7-16)28-12-5-13-29-20-11-10-18(14-19(20)23)30-31(3,26)27/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,24,25)/t22-/m0/s1
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Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179835
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CC(C)(Oc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C25H24ClFO6/c1-25(2,24(28)29)33-20-10-8-18(9-11-20)30-14-3-15-31-23-13-12-21(16-22(23)26)32-19-6-4-17(27)5-7-19/h4-13,16H,3,14-15H2,1-2H3,(H,28,29)
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Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179821
PNG
((S)-2-(4-(3-(2-chlorophenoxy)propoxy)benzyl)-2-met...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccccc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C21H25ClO4/c1-3-21(2,20(23)24)15-16-9-11-17(12-10-16)25-13-6-14-26-19-8-5-4-7-18(19)22/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,23,24)/t21-/m0/s1
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Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179823
PNG
((S)-2-methyl-2-((4-(3-(8-methyl-2-oxo-4-(trifluoro...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(cc(=O)oc3c2C)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C26H27F3O6/c1-4-25(3,24(31)32)15-17-6-8-18(9-7-17)33-12-5-13-34-21-11-10-19-20(26(27,28)29)14-22(30)35-23(19)16(21)2/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,31,32)/t25-/m0/s1
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Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179837
PNG
(3-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES OC(=O)CCc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1
Show InChI InChI=1S/C24H22ClFO5/c25-22-16-21(31-20-9-5-18(26)6-10-20)11-12-23(22)30-15-1-14-29-19-7-2-17(3-8-19)4-13-24(27)28/h2-3,5-12,16H,1,4,13-15H2,(H,27,28)
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Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179838
PNG
((S)-2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)p...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-3-27(2,26(30)31)18-19-5-9-21(10-6-19)32-15-4-16-33-25-14-13-23(17-24(25)28)34-22-11-7-20(29)8-12-22/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,30,31)/t27-/m0/s1
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Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179822
PNG
(3-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES OC(=O)C(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C1CCC1
Show InChI InChI=1S/C28H28ClFO5/c29-26-18-24(35-23-11-7-21(30)8-12-23)13-14-27(26)34-16-2-15-33-22-9-5-19(6-10-22)17-25(28(31)32)20-3-1-4-20/h5-14,18,20,25H,1-4,15-17H2,(H,31,32)
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Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179842
PNG
((S)-2-((4-(3-(6-chloro-2,2-diethyl-4-(trifluoromet...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2cc3OC(CC)(CC)C=C(c3cc2Cl)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C29H34ClF3O5/c1-5-27(4,26(34)35)17-19-9-11-20(12-10-19)36-13-8-14-37-25-16-24-21(15-23(25)30)22(29(31,32)33)18-28(6-2,7-3)38-24/h9-12,15-16,18H,5-8,13-14,17H2,1-4H3,(H,34,35)/t27-/m0/s1
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Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179843
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CCCC(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-2-4-20(27(30)31)17-19-5-9-22(10-6-19)32-15-3-16-33-26-14-13-24(18-25(26)28)34-23-11-7-21(29)8-12-23/h5-14,18,20H,2-4,15-17H2,1H3,(H,30,31)
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Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179823
PNG
((S)-2-methyl-2-((4-(3-(8-methyl-2-oxo-4-(trifluoro...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(cc(=O)oc3c2C)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C26H27F3O6/c1-4-25(3,24(31)32)15-17-6-8-18(9-7-17)33-12-5-13-34-21-11-10-19-20(26(27,28)29)14-22(30)35-23(19)16(21)2/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,31,32)/t25-/m0/s1
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Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179820
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CCC(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H26ClFO5/c1-2-19(26(29)30)16-18-4-8-21(9-5-18)31-14-3-15-32-25-13-12-23(17-24(25)27)33-22-10-6-20(28)7-11-22/h4-13,17,19H,2-3,14-16H2,1H3,(H,29,30)
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n/an/a 156n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179817
PNG
((S)-2-((4-(3-(8-chloro-2-oxo-4-(trifluoromethyl)-2...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(cc(=O)oc3c2Cl)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C25H24ClF3O6/c1-3-24(2,23(31)32)14-15-5-7-16(8-6-15)33-11-4-12-34-19-10-9-17-18(25(27,28)29)13-20(30)35-22(17)21(19)26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,31,32)/t24-/m0/s1
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n/an/a 157n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179841
PNG
(3-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CC(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C25H24ClFO5/c1-17(25(28)29)15-18-3-7-20(8-4-18)30-13-2-14-31-24-12-11-22(16-23(24)26)32-21-9-5-19(27)6-10-21/h3-12,16-17H,2,13-15H2,1H3,(H,28,29)
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n/an/a 208n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179839
PNG
(3-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES OC(=O)C(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)c1ccccc1
Show InChI InChI=1S/C30H26ClFO5/c31-28-20-26(37-25-13-9-23(32)10-14-25)15-16-29(28)36-18-4-17-35-24-11-7-21(8-12-24)19-27(30(33)34)22-5-2-1-3-6-22/h1-3,5-16,20,27H,4,17-19H2,(H,33,34)
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n/an/a 262n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179846
PNG
((S)-2-methyl-2-((4-(3-(2-oxo-4-(trifluoromethyl)-2...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(cc(=O)oc3c2)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C25H25F3O6/c1-3-24(2,23(30)31)15-16-5-7-17(8-6-16)32-11-4-12-33-18-9-10-19-20(25(26,27)28)14-22(29)34-21(19)13-18/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H,30,31)/t24-/m0/s1
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n/an/a 537n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179833
PNG
((S)-2-(4-(3-(2-chloro-4-(trifluoromethyl)phenoxy)p...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(cc2Cl)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C22H24ClF3O4/c1-3-21(2,20(27)28)14-15-5-8-17(9-6-15)29-11-4-12-30-19-10-7-16(13-18(19)23)22(24,25)26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,27,28)/t21-/m0/s1
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n/an/a 603n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179837
PNG
(3-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES OC(=O)CCc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1
Show InChI InChI=1S/C24H22ClFO5/c25-22-16-21(31-20-9-5-18(26)6-10-20)11-12-23(22)30-15-1-14-29-19-7-2-17(3-8-19)4-13-24(27)28/h2-3,5-12,16H,1,4,13-15H2,(H,27,28)
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n/an/a 675n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179824
PNG
((S)-2-(4-(3-(2-chloro-4-(trifluoromethoxy)phenoxy)...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(OC(F)(F)F)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C22H24ClF3O5/c1-3-21(2,20(27)28)14-15-5-7-16(8-6-15)29-11-4-12-30-19-10-9-17(13-18(19)23)31-22(24,25)26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,27,28)/t21-/m0/s1
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n/an/a 742n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50179821
PNG
((S)-2-(4-(3-(2-chlorophenoxy)propoxy)benzyl)-2-met...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccccc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C21H25ClO4/c1-3-21(2,20(23)24)15-16-9-11-17(12-10-16)25-13-6-14-26-19-8-5-4-7-18(19)22/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,23,24)/t21-/m0/s1
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n/an/a 851n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR gamma


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50179835
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CC(C)(Oc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C25H24ClFO6/c1-25(2,24(28)29)33-20-10-8-18(9-11-20)30-14-3-15-31-23-13-12-21(16-22(23)26)32-19-6-4-17(27)5-7-19/h4-13,16H,3,14-15H2,1-2H3,(H,28,29)
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n/an/a 981n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR gamma


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179826
PNG
((R)-2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)p...)
Show SMILES CC[C@](C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-3-27(2,26(30)31)18-19-5-9-21(10-6-19)32-15-4-16-33-25-14-13-23(17-24(25)28)34-22-11-7-20(29)8-12-22/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,30,31)/t27-/m1/s1
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n/an/a 1.09E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179843
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CCCC(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-2-4-20(27(30)31)17-19-5-9-22(10-6-19)32-15-3-16-33-26-14-13-24(18-25(26)28)34-23-11-7-21(29)8-12-23/h5-14,18,20H,2-4,15-17H2,1H3,(H,30,31)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179820
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CCC(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H26ClFO5/c1-2-19(26(29)30)16-18-4-8-21(9-5-18)31-14-3-15-32-25-13-12-23(17-24(25)27)33-22-10-6-20(28)7-11-22/h4-13,17,19H,2-3,14-16H2,1H3,(H,29,30)
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n/an/a 1.17E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50179818
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CCC(C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-3-27(2,26(30)31)18-19-5-9-21(10-6-19)32-15-4-16-33-25-14-13-23(17-24(25)28)34-22-11-7-20(29)8-12-22/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,30,31)
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n/an/a 1.24E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR gamma


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179839
PNG
(3-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES OC(=O)C(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)c1ccccc1
Show InChI InChI=1S/C30H26ClFO5/c31-28-20-26(37-25-13-9-23(32)10-14-25)15-16-29(28)36-18-4-17-35-24-11-7-21(8-12-24)19-27(30(33)34)22-5-2-1-3-6-22/h1-3,5-16,20,27H,4,17-19H2,(H,33,34)
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n/an/a 1.34E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179822
PNG
(3-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES OC(=O)C(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C1CCC1
Show InChI InChI=1S/C28H28ClFO5/c29-26-18-24(35-23-11-7-21(30)8-12-23)13-14-27(26)34-16-2-15-33-22-9-5-19(6-10-22)17-25(28(31)32)20-3-1-4-20/h5-14,18,20,25H,1-4,15-17H2,(H,31,32)
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n/an/a 1.35E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50179830
PNG
((S)-2-(4-(3-(2-chloro-4-cyclohexylphenoxy)propoxy)...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(cc2Cl)C2CCCCC2)cc1)C(O)=O
Show InChI InChI=1S/C27H35ClO4/c1-3-27(2,26(29)30)19-20-10-13-23(14-11-20)31-16-7-17-32-25-15-12-22(18-24(25)28)21-8-5-4-6-9-21/h10-15,18,21H,3-9,16-17,19H2,1-2H3,(H,29,30)/t27-/m0/s1
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n/an/a 1.85E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR gamma


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179835
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CC(C)(Oc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C25H24ClFO6/c1-25(2,24(28)29)33-20-10-8-18(9-11-20)30-14-3-15-31-23-13-12-21(16-22(23)26)32-19-6-4-17(27)5-7-19/h4-13,16H,3,14-15H2,1-2H3,(H,28,29)
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n/an/a 2.39E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179838
PNG
((S)-2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)p...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-3-27(2,26(30)31)18-19-5-9-21(10-6-19)32-15-4-16-33-25-14-13-23(17-24(25)28)34-22-11-7-20(29)8-12-22/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,30,31)/t27-/m0/s1
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n/an/a 2.41E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179817
PNG
((S)-2-((4-(3-(8-chloro-2-oxo-4-(trifluoromethyl)-2...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(cc(=O)oc3c2Cl)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C25H24ClF3O6/c1-3-24(2,23(31)32)14-15-5-7-16(8-6-15)33-11-4-12-34-19-10-9-17-18(25(27,28)29)13-20(30)35-22(17)21(19)26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,31,32)/t24-/m0/s1
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n/an/a 3.27E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50179816
PNG
((S)-2-(4-(3-(2-chloro-4-(4,4-dimethylcyclohexyl)ph...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(cc2Cl)C2CCC(C)(C)CC2)cc1)C(O)=O
Show InChI InChI=1S/C29H39ClO4/c1-5-29(4,27(31)32)20-21-7-10-24(11-8-21)33-17-6-18-34-26-12-9-23(19-25(26)30)22-13-15-28(2,3)16-14-22/h7-12,19,22H,5-6,13-18,20H2,1-4H3,(H,31,32)/t29-/m0/s1
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n/an/a 3.61E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR gamma


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179841
PNG
(3-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CC(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C25H24ClFO5/c1-17(25(28)29)15-18-3-7-20(8-4-18)30-13-2-14-31-24-12-11-22(16-23(24)26)32-21-9-5-19(27)6-10-21/h3-12,16-17H,2,13-15H2,1H3,(H,28,29)
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n/an/a 4.07E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179821
PNG
((S)-2-(4-(3-(2-chlorophenoxy)propoxy)benzyl)-2-met...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccccc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C21H25ClO4/c1-3-21(2,20(23)24)15-16-9-11-17(12-10-16)25-13-6-14-26-19-8-5-4-7-18(19)22/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,23,24)/t21-/m0/s1
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n/an/a 4.63E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50179840
PNG
((S)-2-(4-(3-(2-chloro-4-(2,2,2-trifluoroethyl)phen...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(CC(F)(F)F)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C23H26ClF3O4/c1-3-22(2,21(28)29)14-16-5-8-18(9-6-16)30-11-4-12-31-20-10-7-17(13-19(20)24)15-23(25,26)27/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,28,29)/t22-/m0/s1
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n/an/a>6.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR gamma


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179815
PNG
((S)-2-methyl-2-((4-(3-(4-methyl-2-oxo-1,2-dihydroq...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(C)cc(=O)[nH]c3c2)cc1)C(O)=O
Show InChI InChI=1S/C25H29NO5/c1-4-25(3,24(28)29)16-18-6-8-19(9-7-18)30-12-5-13-31-20-10-11-21-17(2)14-23(27)26-22(21)15-20/h6-11,14-15H,4-5,12-13,16H2,1-3H3,(H,26,27)(H,28,29)/t25-/m0/s1
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n/an/a 6.09E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50179837
PNG
(3-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES OC(=O)CCc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1
Show InChI InChI=1S/C24H22ClFO5/c25-22-16-21(31-20-9-5-18(26)6-10-20)11-12-23(22)30-15-1-14-29-19-7-2-17(3-8-19)4-13-24(27)28/h2-3,5-12,16H,1,4,13-15H2,(H,27,28)
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n/an/a 6.44E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR gamma


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179840
PNG
((S)-2-(4-(3-(2-chloro-4-(2,2,2-trifluoroethyl)phen...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(CC(F)(F)F)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C23H26ClF3O4/c1-3-22(2,21(28)29)14-16-5-8-18(9-6-16)30-11-4-12-31-20-10-7-17(13-19(20)24)15-23(25,26)27/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,28,29)/t22-/m0/s1
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n/an/a>7.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179825
PNG
((S)-2-((4-(3-(2,2-dimethyl-4-(3-(trifluoromethyl)p...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc3C(=CC(C)(C)Oc3c2)c2cccc(c2)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C33H35F3O5/c1-5-32(4,30(37)38)20-22-10-12-25(13-11-22)39-16-7-17-40-26-14-15-27-28(21-31(2,3)41-29(27)19-26)23-8-6-9-24(18-23)33(34,35)36/h6,8-15,18-19,21H,5,7,16-17,20H2,1-4H3,(H,37,38)/t32-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179843
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CCCC(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-2-4-20(27(30)31)17-19-5-9-22(10-6-19)32-15-3-16-33-26-14-13-24(18-25(26)28)34-23-11-7-21(29)8-12-23/h5-14,18,20H,2-4,15-17H2,1H3,(H,30,31)
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n/an/an/an/a 454n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179844
PNG
((S)-2-(4-(3-(2-chloro-4-(methylsulfonyloxy)phenoxy...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(OS(C)(=O)=O)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C22H27ClO7S/c1-4-22(2,21(24)25)15-16-6-8-17(9-7-16)28-12-5-13-29-20-11-10-18(14-19(20)23)30-31(3,26)27/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,24,25)/t22-/m0/s1
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n/an/an/an/a 11.4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50127933
PNG
(5-(4-(3-(4-(4-fluorophenoxy)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-4-19-17-23(34-22-11-7-20(28)8-12-22)13-14-24(19)33-16-3-15-32-21-9-5-18(6-10-21)25-26(30)29-27(31)35-25/h5-14,17,30H,2-4,15-16H2,1H3,(H,29,31)
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n/an/an/an/a 735n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR gamma


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179833
PNG
((S)-2-(4-(3-(2-chloro-4-(trifluoromethyl)phenoxy)p...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(cc2Cl)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C22H24ClF3O4/c1-3-21(2,20(27)28)14-15-5-8-17(9-6-15)29-11-4-12-30-19-10-7-16(13-18(19)23)22(24,25)26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,27,28)/t21-/m0/s1
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n/an/an/an/a 2.90n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179819
PNG
(2-(4-(4-(2-chloro-4-(4-fluorophenoxy)phenoxy)butox...)
Show SMILES CC(C)(Oc1ccc(OCCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H26ClFO6/c1-26(2,25(29)30)34-21-11-9-19(10-12-21)31-15-3-4-16-32-24-14-13-22(17-23(24)27)33-20-7-5-18(28)6-8-20/h5-14,17H,3-4,15-16H2,1-2H3,(H,29,30)
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n/an/an/an/a 545n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179838
PNG
((S)-2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)p...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-3-27(2,26(30)31)18-19-5-9-21(10-6-19)32-15-4-16-33-25-14-13-23(17-24(25)28)34-22-11-7-20(29)8-12-22/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,30,31)/t27-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179827
PNG
(2-(4-(3-(4-(4-fluorophenoxy)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(OC(C)(C)C(O)=O)cc1
Show InChI InChI=1S/C28H31FO6/c1-4-6-20-19-25(34-23-9-7-21(29)8-10-23)15-16-26(20)33-18-5-17-32-22-11-13-24(14-12-22)35-28(2,3)27(30)31/h7-16,19H,4-6,17-18H2,1-3H3,(H,30,31)
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n/an/an/an/a 51n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179822
PNG
(3-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES OC(=O)C(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C1CCC1
Show InChI InChI=1S/C28H28ClFO5/c29-26-18-24(35-23-11-7-21(30)8-12-23)13-14-27(26)34-16-2-15-33-22-9-5-19(6-10-22)17-25(28(31)32)20-3-1-4-20/h5-14,18,20,25H,1-4,15-17H2,(H,31,32)
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n/an/an/an/a 15n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179819
PNG
(2-(4-(4-(2-chloro-4-(4-fluorophenoxy)phenoxy)butox...)
Show SMILES CC(C)(Oc1ccc(OCCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H26ClFO6/c1-26(2,25(29)30)34-21-11-9-19(10-12-21)31-15-3-4-16-32-24-14-13-22(17-23(24)27)33-20-7-5-18(28)6-8-20/h5-14,17H,3-4,15-16H2,1-2H3,(H,29,30)
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n/an/an/an/a 35n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179816
PNG
((S)-2-(4-(3-(2-chloro-4-(4,4-dimethylcyclohexyl)ph...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(cc2Cl)C2CCC(C)(C)CC2)cc1)C(O)=O
Show InChI InChI=1S/C29H39ClO4/c1-5-29(4,27(31)32)20-21-7-10-24(11-8-21)33-17-6-18-34-26-12-9-23(19-25(26)30)22-13-15-28(2,3)16-14-22/h7-12,19,22H,5-6,13-18,20H2,1-4H3,(H,31,32)/t29-/m0/s1
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n/an/an/an/a 27.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50179830
PNG
((S)-2-(4-(3-(2-chloro-4-cyclohexylphenoxy)propoxy)...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(cc2Cl)C2CCCCC2)cc1)C(O)=O
Show InChI InChI=1S/C27H35ClO4/c1-3-27(2,26(29)30)19-20-10-13-23(14-11-20)31-16-7-17-32-25-15-12-22(18-24(25)28)21-8-5-4-6-9-21/h10-15,18,21H,3-9,16-17,19H2,1-2H3,(H,29,30)/t27-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR gamma in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50179819
PNG
(2-(4-(4-(2-chloro-4-(4-fluorophenoxy)phenoxy)butox...)
Show SMILES CC(C)(Oc1ccc(OCCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H26ClFO6/c1-26(2,25(29)30)34-21-11-9-19(10-12-21)31-15-3-4-16-32-24-14-13-22(17-23(24)27)33-20-7-5-18(28)6-8-20/h5-14,17H,3-4,15-16H2,1-2H3,(H,29,30)
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n/an/an/an/a 7.69E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR gamma


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50179828
PNG
((S)-2-((4-(3-(6-chloro-2-oxo-4-(trifluoromethyl)-2...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2cc3oc(=O)cc(c3cc2Cl)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C25H24ClF3O6/c1-3-24(2,23(31)32)14-15-5-7-16(8-6-15)33-9-4-10-34-21-13-20-17(11-19(21)26)18(25(27,28)29)12-22(30)35-20/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,31,32)/t24-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR gamma in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179834
PNG
(2-(3-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CC(C)(Oc1cccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)c1)C(O)=O
Show InChI InChI=1S/C25H24ClFO6/c1-25(2,24(28)29)33-21-6-3-5-19(15-21)30-13-4-14-31-23-12-11-20(16-22(23)26)32-18-9-7-17(27)8-10-18/h3,5-12,15-16H,4,13-14H2,1-2H3,(H,28,29)
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n/an/an/an/a 2.23E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179827
PNG
(2-(4-(3-(4-(4-fluorophenoxy)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(OC(C)(C)C(O)=O)cc1
Show InChI InChI=1S/C28H31FO6/c1-4-6-20-19-25(34-23-9-7-21(29)8-10-23)15-16-26(20)33-18-5-17-32-22-11-13-24(14-12-22)35-28(2,3)27(30)31/h7-16,19H,4-6,17-18H2,1-3H3,(H,30,31)
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n/an/an/an/a 110n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179834
PNG
(2-(3-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CC(C)(Oc1cccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)c1)C(O)=O
Show InChI InChI=1S/C25H24ClFO6/c1-25(2,24(28)29)33-21-6-3-5-19(15-21)30-13-4-14-31-23-12-11-20(16-22(23)26)32-18-9-7-17(27)8-10-18/h3,5-12,15-16H,4,13-14H2,1-2H3,(H,28,29)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR delta in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50179816
PNG
((S)-2-(4-(3-(2-chloro-4-(4,4-dimethylcyclohexyl)ph...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(cc2Cl)C2CCC(C)(C)CC2)cc1)C(O)=O
Show InChI InChI=1S/C29H39ClO4/c1-5-29(4,27(31)32)20-21-7-10-24(11-8-21)33-17-6-18-34-26-12-9-23(19-25(26)30)22-13-15-28(2,3)16-14-22/h7-12,19,22H,5-6,13-18,20H2,1-4H3,(H,31,32)/t29-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR gamma in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50179827
PNG
(2-(4-(3-(4-(4-fluorophenoxy)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(OC(C)(C)C(O)=O)cc1
Show InChI InChI=1S/C28H31FO6/c1-4-6-20-19-25(34-23-9-7-21(29)8-10-23)15-16-26(20)33-18-5-17-32-22-11-13-24(14-12-22)35-28(2,3)27(30)31/h7-16,19H,4-6,17-18H2,1-3H3,(H,30,31)
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n/an/an/an/a 1.09E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR gamma


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179821
PNG
((S)-2-(4-(3-(2-chlorophenoxy)propoxy)benzyl)-2-met...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccccc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C21H25ClO4/c1-3-21(2,20(23)24)15-16-9-11-17(12-10-16)25-13-6-14-26-19-8-5-4-7-18(19)22/h4-5,7-12H,3,6,13-15H2,1-2H3,(H,23,24)/t21-/m0/s1
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n/an/an/an/a 54.1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179818
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CCC(C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-3-27(2,26(30)31)18-19-5-9-21(10-6-19)32-15-4-16-33-25-14-13-23(17-24(25)28)34-22-11-7-20(29)8-12-22/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,30,31)
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n/an/an/an/a 2.5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179835
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CC(C)(Oc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C25H24ClFO6/c1-25(2,24(28)29)33-20-10-8-18(9-11-20)30-14-3-15-31-23-13-12-21(16-22(23)26)32-19-6-4-17(27)5-7-19/h4-13,16H,3,14-15H2,1-2H3,(H,28,29)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR delta in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179845
PNG
(2-(4-(2-(2-chloro-4-(4-fluorophenoxy)phenoxy)ethox...)
Show SMILES CC(C)(Oc1ccc(OCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C24H22ClFO6/c1-24(2,23(27)28)32-19-9-7-17(8-10-19)29-13-14-30-22-12-11-20(15-21(22)25)31-18-5-3-16(26)4-6-18/h3-12,15H,13-14H2,1-2H3,(H,27,28)
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n/an/an/an/a 62n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179819
PNG
(2-(4-(4-(2-chloro-4-(4-fluorophenoxy)phenoxy)butox...)
Show SMILES CC(C)(Oc1ccc(OCCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H26ClFO6/c1-26(2,25(29)30)34-21-11-9-19(10-12-21)31-15-3-4-16-32-24-14-13-22(17-23(24)27)33-20-7-5-18(28)6-8-20/h5-14,17H,3-4,15-16H2,1-2H3,(H,29,30)
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n/an/an/an/a 66n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (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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n/an/an/an/a 1n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179836
PNG
((S)-2-(4-(3-(2-chloro-4-(2,2,2-trifluoroethoxy)phe...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(OCC(F)(F)F)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C23H26ClF3O5/c1-3-22(2,21(28)29)14-16-5-7-17(8-6-16)30-11-4-12-31-20-10-9-18(13-19(20)24)32-15-23(25,26)27/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,28,29)/t22-/m0/s1
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n/an/an/an/a 7.80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179824
PNG
((S)-2-(4-(3-(2-chloro-4-(trifluoromethoxy)phenoxy)...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(OC(F)(F)F)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C22H24ClF3O5/c1-3-21(2,20(27)28)14-15-5-7-16(8-6-15)29-11-4-12-30-19-10-9-17(13-18(19)23)31-22(24,25)26/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,27,28)/t21-/m0/s1
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n/an/an/an/a 2.10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50179838
PNG
((S)-2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)p...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-3-27(2,26(30)31)18-19-5-9-21(10-6-19)32-15-4-16-33-25-14-13-23(17-24(25)28)34-22-11-7-20(29)8-12-22/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,30,31)/t27-/m0/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR gamma in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179826
PNG
((R)-2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)p...)
Show SMILES CC[C@](C)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C27H28ClFO5/c1-3-27(2,26(30)31)18-19-5-9-21(10-6-19)32-15-4-16-33-25-14-13-23(17-24(25)28)34-22-11-7-20(29)8-12-22/h5-14,17H,3-4,15-16,18H2,1-2H3,(H,30,31)/t27-/m1/s1
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n/an/an/an/a 3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179827
PNG
(2-(4-(3-(4-(4-fluorophenoxy)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(OC(C)(C)C(O)=O)cc1
Show InChI InChI=1S/C28H31FO6/c1-4-6-20-19-25(34-23-9-7-21(29)8-10-23)15-16-26(20)33-18-5-17-32-22-11-13-24(14-12-22)35-28(2,3)27(30)31/h7-16,19H,4-6,17-18H2,1-3H3,(H,30,31)
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n/an/an/an/a 55n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR delta in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179828
PNG
((S)-2-((4-(3-(6-chloro-2-oxo-4-(trifluoromethyl)-2...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2cc3oc(=O)cc(c3cc2Cl)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C25H24ClF3O6/c1-3-24(2,23(31)32)14-15-5-7-16(8-6-15)33-9-4-10-34-21-13-20-17(11-19(21)26)18(25(27,28)29)12-22(30)35-20/h5-8,11-13H,3-4,9-10,14H2,1-2H3,(H,31,32)/t24-/m0/s1
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n/an/an/an/a 44n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179819
PNG
(2-(4-(4-(2-chloro-4-(4-fluorophenoxy)phenoxy)butox...)
Show SMILES CC(C)(Oc1ccc(OCCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C26H26ClFO6/c1-26(2,25(29)30)34-21-11-9-19(10-12-21)31-15-3-4-16-32-24-14-13-22(17-23(24)27)33-20-7-5-18(28)6-8-20/h5-14,17H,3-4,15-16H2,1-2H3,(H,29,30)
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n/an/an/an/a 284n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR delta in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179835
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CC(C)(Oc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C25H24ClFO6/c1-25(2,24(28)29)33-20-10-8-18(9-11-20)30-14-3-15-31-23-13-12-21(16-22(23)26)32-19-6-4-17(27)5-7-19/h4-13,16H,3,14-15H2,1-2H3,(H,28,29)
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n/an/an/an/a 20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179834
PNG
(2-(3-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CC(C)(Oc1cccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)c1)C(O)=O
Show InChI InChI=1S/C25H24ClFO6/c1-25(2,24(28)29)33-21-6-3-5-19(15-21)30-13-4-14-31-23-12-11-20(16-22(23)26)32-18-9-7-17(27)8-10-18/h3,5-12,15-16H,4,13-14H2,1-2H3,(H,28,29)
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n/an/an/an/a 21n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50127933
PNG
(5-(4-(3-(4-(4-fluorophenoxy)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-4-19-17-23(34-22-11-7-20(28)8-12-22)13-14-24(19)33-16-3-15-32-21-9-5-18(6-10-21)25-26(30)29-27(31)35-25/h5-14,17,30H,2-4,15-16H2,1H3,(H,29,31)
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n/an/an/an/a 80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR gamma in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179823
PNG
((S)-2-methyl-2-((4-(3-(8-methyl-2-oxo-4-(trifluoro...)
Show SMILES CC[C@@](C)(Cc1ccc(OCCCOc2ccc3c(cc(=O)oc3c2C)C(F)(F)F)cc1)C(O)=O
Show InChI InChI=1S/C26H27F3O6/c1-4-25(3,24(31)32)15-17-6-8-18(9-7-17)33-12-5-13-34-21-11-10-19-20(26(27,28)29)14-22(30)35-23(19)16(21)2/h6-11,14H,4-5,12-13,15H2,1-3H3,(H,31,32)/t25-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50179827
PNG
(2-(4-(3-(4-(4-fluorophenoxy)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(OC(C)(C)C(O)=O)cc1
Show InChI InChI=1S/C28H31FO6/c1-4-6-20-19-25(34-23-9-7-21(29)8-10-23)15-16-26(20)33-18-5-17-32-22-11-13-24(14-12-22)35-28(2,3)27(30)31/h7-16,19H,4-6,17-18H2,1-3H3,(H,30,31)
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n/an/an/an/a 106n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR delta


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179829
PNG
(2-(4-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CCC(CC)(Cc1ccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C28H30ClFO5/c1-3-28(4-2,27(31)32)19-20-6-10-22(11-7-20)33-16-5-17-34-26-15-14-24(18-25(26)29)35-23-12-8-21(30)9-13-23/h6-15,18H,3-5,16-17,19H2,1-2H3,(H,31,32)
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n/an/an/an/a 2.70n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Transactivation by human PPAR alpha in COS1 cells


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179845
PNG
(2-(4-(2-(2-chloro-4-(4-fluorophenoxy)phenoxy)ethox...)
Show SMILES CC(C)(Oc1ccc(OCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)cc1)C(O)=O
Show InChI InChI=1S/C24H22ClFO6/c1-24(2,23(27)28)32-19-9-7-17(8-10-19)29-13-14-30-22-12-11-20(15-21(22)25)31-18-5-3-16(26)4-6-18/h3-12,15H,13-14H2,1-2H3,(H,27,28)
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n/an/an/an/a 87n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50179834
PNG
(2-(3-(3-(2-chloro-4-(4-fluorophenoxy)phenoxy)propo...)
Show SMILES CC(C)(Oc1cccc(OCCCOc2ccc(Oc3ccc(F)cc3)cc2Cl)c1)C(O)=O
Show InChI InChI=1S/C25H24ClFO6/c1-25(2,24(28)29)33-21-6-3-5-19(15-21)30-13-4-14-31-23-12-11-20(16-22(23)26)32-18-9-7-17(27)8-10-18/h3,5-12,15-16H,4,13-14H2,1-2H3,(H,28,29)
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n/an/an/an/a 36n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human PPAR alpha


Bioorg Med Chem Lett 16: 1673-8 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.022
BindingDB Entry DOI: 10.7270/Q2930SRT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%