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PubMed code 15950464

Compile data set for download or QSAR
Found 146 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))
BDBM50168554
PNG
((R)-7-{3-[2-Chloro-4-(1,1-dimethyl-propyl)-phenoxy...)
Show SMILES CCC(C)(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C25H31ClO5/c1-5-24(2,3)18-8-10-21(20(26)15-18)30-14-6-13-29-19-9-7-17-11-12-25(4,23(27)28)31-22(17)16-19/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,27,28)/t25-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168544
PNG
((R)-7-[3-(2-Chloro-4-cyclohexyl-phenoxy)-propoxy]-...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C27H33ClO5/c1-2-27(26(29)30)14-13-20-9-11-22(18-25(20)33-27)31-15-6-16-32-24-12-10-21(17-23(24)28)19-7-4-3-5-8-19/h9-12,17-19H,2-8,13-16H2,1H3,(H,29,30)/t27-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168557
PNG
((R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-...)
Show SMILES CC(C)Cc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C24H29ClO5/c1-16(2)13-17-5-8-21(20(25)14-17)29-12-4-11-28-19-7-6-18-9-10-24(3,23(26)27)30-22(18)15-19/h5-8,14-16H,4,9-13H2,1-3H3,(H,26,27)/t24-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168543
PNG
((R)-7-[3-(2-Chloro-4-cyclohexyl-phenoxy)-propoxy]-...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C26H31ClO5/c1-26(25(28)29)13-12-19-8-10-21(17-24(19)32-26)30-14-5-15-31-23-11-9-20(16-22(23)27)18-6-3-2-4-7-18/h8-11,16-18H,2-7,12-15H2,1H3,(H,28,29)/t26-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168555
PNG
((R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(CC(C)C)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C25H31ClO5/c1-4-25(24(27)28)11-10-19-7-8-20(16-23(19)31-25)29-12-5-13-30-22-9-6-18(14-17(2)3)15-21(22)26/h6-9,15-17H,4-5,10-14H2,1-3H3,(H,27,28)/t25-/m1/s1
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n/an/a 29n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168572
PNG
((R)-7-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O6/c1-2-21(20(27)28)9-8-14-4-5-15(13-19(14)32-21)29-10-3-11-30-18-7-6-16(12-17(18)23)31-22(24,25)26/h4-7,12-13H,2-3,8-11H2,1H3,(H,27,28)/t21-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168567
PNG
((R)-7-[3-(2-Chloro-4-isopropyl-phenoxy)-propoxy]-2...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(C)C)cc2O1)C(O)=O
Show InChI InChI=1S/C24H29ClO5/c1-4-24(23(26)27)11-10-17-6-8-19(15-22(17)30-24)28-12-5-13-29-21-9-7-18(16(2)3)14-20(21)25/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,26,27)/t24-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168560
PNG
((R)-7-[3-(2-Chloro-4-cyclopentyl-phenoxy)-propoxy]...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C25H29ClO5/c1-25(24(27)28)12-11-18-7-9-20(16-23(18)31-25)29-13-4-14-30-22-10-8-19(15-21(22)26)17-5-2-3-6-17/h7-10,15-17H,2-6,11-14H2,1H3,(H,27,28)/t25-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168558
PNG
((R)-7-[3-(2-Chloro-4-isopropyl-phenoxy)-propoxy]-2...)
Show SMILES CC(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C23H27ClO5/c1-15(2)17-6-8-20(19(24)13-17)28-12-4-11-27-18-7-5-16-9-10-23(3,22(25)26)29-21(16)14-18/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,26)/t23-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168547
PNG
((R)-7-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C21H20ClF3O6/c1-20(19(26)27)8-7-13-3-4-14(12-18(13)31-20)28-9-2-10-29-17-6-5-15(11-16(17)22)30-21(23,24)25/h3-6,11-12H,2,7-10H2,1H3,(H,26,27)/t20-/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148090
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168553
PNG
((R)-7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phen...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C23H24ClF3O6/c1-2-22(21(28)29)9-8-15-4-5-17(13-20(15)33-22)30-10-3-11-31-19-7-6-16(12-18(19)24)32-14-23(25,26)27/h4-7,12-13H,2-3,8-11,14H2,1H3,(H,28,29)/t22-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168565
PNG
((R)-7-[3-(2-Chloro-4-trifluoromethyl-phenoxy)-prop...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(F)(F)F)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O5/c1-2-21(20(27)28)9-8-14-4-6-16(13-19(14)31-21)29-10-3-11-30-18-7-5-15(12-17(18)23)22(24,25)26/h4-7,12-13H,2-3,8-11H2,1H3,(H,27,28)/t21-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168571
PNG
((R)-7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phen...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O6/c1-21(20(27)28)8-7-14-3-4-16(12-19(14)32-21)29-9-2-10-30-18-6-5-15(11-17(18)23)31-13-22(24,25)26/h3-6,11-12H,2,7-10,13H2,1H3,(H,27,28)/t21-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168545
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H24ClFO6/c1-26(25(29)30)12-11-17-3-6-20(16-24(17)34-26)31-13-2-14-32-23-10-9-21(15-22(23)27)33-19-7-4-18(28)5-8-19/h3-10,15-16H,2,11-14H2,1H3,(H,29,30)/t26-/m1/s1
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Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168556
PNG
((R)-7-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(C)(C)C)cc2O1)C(O)=O
Show InChI InChI=1S/C25H31ClO5/c1-5-25(23(27)28)12-11-17-7-9-19(16-22(17)31-25)29-13-6-14-30-21-10-8-18(15-20(21)26)24(2,3)4/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,27,28)/t25-/m1/s1
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Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168546
PNG
((R)-7-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-...)
Show SMILES CC(C)(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C24H29ClO5/c1-23(2,3)17-7-9-20(19(25)14-17)29-13-5-12-28-18-8-6-16-10-11-24(4,22(26)27)30-21(16)15-18/h6-9,14-15H,5,10-13H2,1-4H3,(H,26,27)/t24-/m1/s1
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Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168548
PNG
((R)-7-[3-(2-Chloro-4-isopropoxy-phenoxy)-propoxy]-...)
Show SMILES CC(C)Oc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C23H27ClO6/c1-15(2)29-18-7-8-20(19(24)13-18)28-12-4-11-27-17-6-5-16-9-10-23(3,22(25)26)30-21(16)14-17/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,26)/t23-/m1/s1
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Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148090
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1
PDB
MMDB

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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168563
PNG
((R)-7-[3-(2-Chloro-4-cyclobutylmethoxy-phenoxy)-pr...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC4CCC4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C25H29ClO6/c1-25(24(27)28)11-10-18-6-7-20(15-23(18)32-25)29-12-3-13-30-22-9-8-19(14-21(22)26)31-16-17-4-2-5-17/h6-9,14-15,17H,2-5,10-13,16H2,1H3,(H,27,28)/t25-/m1/s1
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n/an/a 390n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168559
PNG
((R)-7-[3-(2,4-Dichloro-phenoxy)-propoxy]-2-ethyl-c...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C21H22Cl2O5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(22)12-17(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1
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n/an/a 400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168547
PNG
((R)-7-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C21H20ClF3O6/c1-20(19(26)27)8-7-13-3-4-14(12-18(13)31-20)28-9-2-10-29-17-6-5-15(11-16(17)22)30-21(23,24)25/h3-6,11-12H,2,7-10H2,1H3,(H,26,27)/t20-/m1/s1
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n/an/a 490n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168542
PNG
((R)-7-[3-(2-Chloro-4-cyclopropylmethoxy-phenoxy)-p...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC4CC4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C24H27ClO6/c1-24(23(26)27)10-9-17-5-6-19(14-22(17)31-24)28-11-2-12-29-21-8-7-18(13-20(21)25)30-15-16-3-4-16/h5-8,13-14,16H,2-4,9-12,15H2,1H3,(H,26,27)/t24-/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168549
PNG
((R)-7-[3-(2-Chloro-4-spiro[2.5]oct-6-yl-phenoxy)-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC4(CC4)CC3)cc2O1)C(O)=O
Show InChI InChI=1S/C29H35ClO5/c1-2-29(27(31)32)13-10-21-4-6-23(19-26(21)35-29)33-16-3-17-34-25-7-5-22(18-24(25)30)20-8-11-28(12-9-20)14-15-28/h4-7,18-20H,2-3,8-17H2,1H3,(H,31,32)/t29-/m1/s1
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n/an/a 610n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168570
PNG
((R)-7-{3-[2-Chloro-4-(tetrahydro-pyran-4-yl)-pheno...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCOCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C26H31ClO6/c1-2-26(25(28)29)11-8-19-4-6-21(17-24(19)33-26)31-12-3-13-32-23-7-5-20(16-22(23)27)18-9-14-30-15-10-18/h4-7,16-18H,2-3,8-15H2,1H3,(H,28,29)/t26-/m1/s1
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n/an/a 710n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168564
PNG
(7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]...)
Show SMILES OC(=O)C1CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1
Show InChI InChI=1S/C21H20ClF3O6/c22-16-10-14(30-12-21(23,24)25)5-7-17(16)29-9-1-8-28-15-4-2-13-3-6-18(20(26)27)31-19(13)11-15/h2,4-5,7,10-11,18H,1,3,6,8-9,12H2,(H,26,27)
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n/an/a 810n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168545
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H24ClFO6/c1-26(25(29)30)12-11-17-3-6-20(16-24(17)34-26)31-13-2-14-32-23-10-9-21(15-22(23)27)33-19-7-4-18(28)5-8-19/h3-10,15-16H,2,11-14H2,1H3,(H,29,30)/t26-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168553
PNG
((R)-7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phen...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C23H24ClF3O6/c1-2-22(21(28)29)9-8-15-4-5-17(13-20(15)33-22)30-10-3-11-31-19-7-6-16(12-18(19)24)32-14-23(25,26)27/h4-7,12-13H,2-3,8-11,14H2,1H3,(H,28,29)/t22-/m1/s1
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n/an/a 990n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168552
PNG
((R)-7-[3-(2-Chloro-4-ethoxy-phenoxy)-propoxy]-2-me...)
Show SMILES CCOc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C22H25ClO6/c1-3-26-16-7-8-19(18(23)13-16)28-12-4-11-27-17-6-5-15-9-10-22(2,21(24)25)29-20(15)14-17/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25)/t22-/m1/s1
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n/an/a 1.38E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168544
PNG
((R)-7-[3-(2-Chloro-4-cyclohexyl-phenoxy)-propoxy]-...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C27H33ClO5/c1-2-27(26(29)30)14-13-20-9-11-22(18-25(20)33-27)31-15-6-16-32-24-12-10-21(17-23(24)28)19-7-4-3-5-8-19/h9-12,17-19H,2-8,13-16H2,1H3,(H,29,30)/t27-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168568
PNG
((R)-7-[3-(2-Chloro-4-spiro[2.5]oct-6-yl-phenoxy)-p...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC4(CC4)CC3)cc2O1)C(O)=O
Show InChI InChI=1S/C28H33ClO5/c1-27(26(30)31)10-7-20-3-5-22(18-25(20)34-27)32-15-2-16-33-24-6-4-21(17-23(24)29)19-8-11-28(12-9-19)13-14-28/h3-6,17-19H,2,7-16H2,1H3,(H,30,31)/t27-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168550
PNG
((R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phe...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC(C)(C)CC3)cc2O1)C(O)=O
Show InChI InChI=1S/C29H37ClO5/c1-4-29(27(31)32)15-12-21-6-8-23(19-26(21)35-29)33-16-5-17-34-25-9-7-22(18-24(25)30)20-10-13-28(2,3)14-11-20/h6-9,18-20H,4-5,10-17H2,1-3H3,(H,31,32)/t29-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168561
PNG
((R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phe...)
Show SMILES CC1(C)CCC(CC1)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C28H35ClO5/c1-27(2)12-9-19(10-13-27)21-6-8-24(23(29)17-21)33-16-4-15-32-22-7-5-20-11-14-28(3,26(30)31)34-25(20)18-22/h5-8,17-19H,4,9-16H2,1-3H3,(H,30,31)/t28-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168555
PNG
((R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(CC(C)C)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C25H31ClO5/c1-4-25(24(27)28)11-10-19-7-8-20(16-23(19)31-25)29-12-5-13-30-22-9-6-18(14-17(2)3)15-21(22)26/h6-9,15-17H,4-5,10-14H2,1-3H3,(H,27,28)/t25-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168572
PNG
((R)-7-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O6/c1-2-21(20(27)28)9-8-14-4-5-15(13-19(14)32-21)29-10-3-11-30-18-7-6-16(12-17(18)23)31-22(24,25)26/h4-7,12-13H,2-3,8-11H2,1H3,(H,27,28)/t21-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168563
PNG
((R)-7-[3-(2-Chloro-4-cyclobutylmethoxy-phenoxy)-pr...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC4CCC4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C25H29ClO6/c1-25(24(27)28)11-10-18-6-7-20(15-23(18)32-25)29-12-3-13-30-22-9-8-19(14-21(22)26)31-16-17-4-2-5-17/h6-9,14-15,17H,2-5,10-13,16H2,1H3,(H,27,28)/t25-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168565
PNG
((R)-7-[3-(2-Chloro-4-trifluoromethyl-phenoxy)-prop...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(F)(F)F)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O5/c1-2-21(20(27)28)9-8-14-4-6-16(13-19(14)31-21)29-10-3-11-30-18-7-5-15(12-17(18)23)22(24,25)26/h4-7,12-13H,2-3,8-11H2,1H3,(H,27,28)/t21-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168572
PNG
((R)-7-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O6/c1-2-21(20(27)28)9-8-14-4-5-15(13-19(14)32-21)29-10-3-11-30-18-7-6-16(12-17(18)23)31-22(24,25)26/h4-7,12-13H,2-3,8-11H2,1H3,(H,27,28)/t21-/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168569
PNG
((S)-7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phen...)
Show SMILES C[C@]1(CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O6/c1-21(20(27)28)8-7-14-3-4-16(12-19(14)32-21)29-9-2-10-30-18-6-5-15(11-17(18)23)31-13-22(24,25)26/h3-6,11-12H,2,7-10,13H2,1H3,(H,27,28)/t21-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168556
PNG
((R)-7-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(C)(C)C)cc2O1)C(O)=O
Show InChI InChI=1S/C25H31ClO5/c1-5-25(23(27)28)12-11-17-7-9-19(16-22(17)31-25)29-13-6-14-30-21-10-8-18(15-20(21)26)24(2,3)4/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,27,28)/t25-/m1/s1
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n/an/a 2.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168559
PNG
((R)-7-[3-(2,4-Dichloro-phenoxy)-propoxy]-2-ethyl-c...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C21H22Cl2O5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(22)12-17(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168567
PNG
((R)-7-[3-(2-Chloro-4-isopropyl-phenoxy)-propoxy]-2...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(C)C)cc2O1)C(O)=O
Show InChI InChI=1S/C24H29ClO5/c1-4-24(23(26)27)11-10-17-6-8-19(15-22(17)30-24)28-12-5-13-29-21-9-7-18(16(2)3)14-20(21)25/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,26,27)/t24-/m1/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168557
PNG
((R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-...)
Show SMILES CC(C)Cc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C24H29ClO5/c1-16(2)13-17-5-8-21(20(25)14-17)29-12-4-11-28-19-7-6-18-9-10-24(3,23(26)27)30-22(18)15-19/h5-8,14-16H,4,9-13H2,1-3H3,(H,26,27)/t24-/m1/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168549
PNG
((R)-7-[3-(2-Chloro-4-spiro[2.5]oct-6-yl-phenoxy)-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC4(CC4)CC3)cc2O1)C(O)=O
Show InChI InChI=1S/C29H35ClO5/c1-2-29(27(31)32)13-10-21-4-6-23(19-26(21)35-29)33-16-3-17-34-25-7-5-22(18-24(25)30)20-8-11-28(12-9-20)14-15-28/h4-7,18-20H,2-3,8-17H2,1H3,(H,31,32)/t29-/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168560
PNG
((R)-7-[3-(2-Chloro-4-cyclopentyl-phenoxy)-propoxy]...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C25H29ClO5/c1-25(24(27)28)12-11-18-7-9-20(16-23(18)31-25)29-13-4-14-30-22-10-8-19(15-21(22)26)17-5-2-3-6-17/h7-10,15-17H,2-6,11-14H2,1H3,(H,27,28)/t25-/m1/s1
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n/an/a 3.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168562
PNG
((R)-7-[3-(2-Chloro-4-methoxy-phenoxy)-propoxy]-2-m...)
Show SMILES COc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C21H23ClO6/c1-21(20(23)24)9-8-14-4-5-16(13-19(14)28-21)26-10-3-11-27-18-7-6-15(25-2)12-17(18)22/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,24)/t21-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168564
PNG
(7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]...)
Show SMILES OC(=O)C1CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1
Show InChI InChI=1S/C21H20ClF3O6/c22-16-10-14(30-12-21(23,24)25)5-7-17(16)29-9-1-8-28-15-4-2-13-3-6-18(20(26)27)31-19(13)11-15/h2,4-5,7,10-11,18H,1,3,6,8-9,12H2,(H,26,27)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168559
PNG
((R)-7-[3-(2,4-Dichloro-phenoxy)-propoxy]-2-ethyl-c...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C21H22Cl2O5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(22)12-17(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168551
PNG
((R)-7-[3-(2-Chloro-4-fluoro-phenoxy)-propoxy]-2-et...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C21H22ClFO5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(23)12-17(18)22/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168565
PNG
((R)-7-[3-(2-Chloro-4-trifluoromethyl-phenoxy)-prop...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(F)(F)F)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O5/c1-2-21(20(27)28)9-8-14-4-6-16(13-19(14)31-21)29-10-3-11-30-18-7-5-15(12-17(18)23)22(24,25)26/h4-7,12-13H,2-3,8-11H2,1H3,(H,27,28)/t21-/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168568
PNG
((R)-7-[3-(2-Chloro-4-spiro[2.5]oct-6-yl-phenoxy)-p...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC4(CC4)CC3)cc2O1)C(O)=O
Show InChI InChI=1S/C28H33ClO5/c1-27(26(30)31)10-7-20-3-5-22(18-25(20)34-27)32-15-2-16-33-24-6-4-21(17-23(24)29)19-8-11-28(12-9-19)13-14-28/h3-6,17-19H,2,7-16H2,1H3,(H,30,31)/t27-/m1/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168558
PNG
((R)-7-[3-(2-Chloro-4-isopropyl-phenoxy)-propoxy]-2...)
Show SMILES CC(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C23H27ClO5/c1-15(2)17-6-8-20(19(24)13-17)28-12-4-11-27-18-7-5-16-9-10-23(3,22(25)26)29-21(16)14-18/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,26)/t23-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168545
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H24ClFO6/c1-26(25(29)30)12-11-17-3-6-20(16-24(17)34-26)31-13-2-14-32-23-10-9-21(15-22(23)27)33-19-7-4-18(28)5-8-19/h3-10,15-16H,2,11-14H2,1H3,(H,29,30)/t26-/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168550
PNG
((R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phe...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC(C)(C)CC3)cc2O1)C(O)=O
Show InChI InChI=1S/C29H37ClO5/c1-4-29(27(31)32)15-12-21-6-8-23(19-26(21)35-29)33-16-5-17-34-25-9-7-22(18-24(25)30)20-10-13-28(2,3)14-11-20/h6-9,18-20H,4-5,10-17H2,1-3H3,(H,31,32)/t29-/m1/s1
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n/an/a 5.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168543
PNG
((R)-7-[3-(2-Chloro-4-cyclohexyl-phenoxy)-propoxy]-...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C26H31ClO5/c1-26(25(28)29)13-12-19-8-10-21(17-24(19)32-26)30-14-5-15-31-23-11-9-20(16-22(23)27)18-6-3-2-4-7-18/h8-11,16-18H,2-7,12-15H2,1H3,(H,28,29)/t26-/m1/s1
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n/an/a 5.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168571
PNG
((R)-7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phen...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O6/c1-21(20(27)28)8-7-14-3-4-16(12-19(14)32-21)29-9-2-10-30-18-6-5-15(11-17(18)23)31-13-22(24,25)26/h3-6,11-12H,2,7-10,13H2,1H3,(H,27,28)/t21-/m1/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
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168561
PNG
((R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phe...)
Show SMILES CC1(C)CCC(CC1)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C28H35ClO5/c1-27(2)12-9-19(10-13-27)21-6-8-24(23(29)17-21)33-16-4-15-32-22-7-5-20-11-14-28(3,26(30)31)34-25(20)18-22/h5-8,17-19H,4,9-16H2,1-3H3,(H,30,31)/t28-/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168564
PNG
(7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]...)
Show SMILES OC(=O)C1CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1
Show InChI InChI=1S/C21H20ClF3O6/c22-16-10-14(30-12-21(23,24)25)5-7-17(16)29-9-1-8-28-15-4-2-13-3-6-18(20(26)27)31-19(13)11-15/h2,4-5,7,10-11,18H,1,3,6,8-9,12H2,(H,26,27)
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n/an/a 6.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168548
PNG
((R)-7-[3-(2-Chloro-4-isopropoxy-phenoxy)-propoxy]-...)
Show SMILES CC(C)Oc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C23H27ClO6/c1-15(2)29-18-7-8-20(19(24)13-18)28-12-4-11-27-17-6-5-16-9-10-23(3,22(25)26)30-21(16)14-17/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,26)/t23-/m1/s1
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n/an/a 7.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168557
PNG
((R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-...)
Show SMILES CC(C)Cc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C24H29ClO5/c1-16(2)13-17-5-8-21(20(25)14-17)29-12-4-11-28-19-7-6-18-9-10-24(3,23(26)27)30-22(18)15-19/h5-8,14-16H,4,9-13H2,1-3H3,(H,26,27)/t24-/m1/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168560
PNG
((R)-7-[3-(2-Chloro-4-cyclopentyl-phenoxy)-propoxy]...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C25H29ClO5/c1-25(24(27)28)12-11-18-7-9-20(16-23(18)31-25)29-13-4-14-30-22-10-8-19(15-21(22)26)17-5-2-3-6-17/h7-10,15-17H,2-6,11-14H2,1H3,(H,27,28)/t25-/m1/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168554
PNG
((R)-7-{3-[2-Chloro-4-(1,1-dimethyl-propyl)-phenoxy...)
Show SMILES CCC(C)(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C25H31ClO5/c1-5-24(2,3)18-8-10-21(20(26)15-18)30-14-6-13-29-19-9-7-17-11-12-25(4,23(27)28)31-22(17)16-19/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,27,28)/t25-/m1/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168563
PNG
((R)-7-[3-(2-Chloro-4-cyclobutylmethoxy-phenoxy)-pr...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC4CCC4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C25H29ClO6/c1-25(24(27)28)11-10-18-6-7-20(15-23(18)32-25)29-12-3-13-30-22-9-8-19(14-21(22)26)31-16-17-4-2-5-17/h6-9,14-15,17H,2-5,10-13,16H2,1H3,(H,27,28)/t25-/m1/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168562
PNG
((R)-7-[3-(2-Chloro-4-methoxy-phenoxy)-propoxy]-2-m...)
Show SMILES COc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C21H23ClO6/c1-21(20(23)24)9-8-14-4-5-16(13-19(14)28-21)26-10-3-11-27-18-7-6-15(25-2)12-17(18)22/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,24)/t21-/m1/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168548
PNG
((R)-7-[3-(2-Chloro-4-isopropoxy-phenoxy)-propoxy]-...)
Show SMILES CC(C)Oc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C23H27ClO6/c1-15(2)29-18-7-8-20(19(24)13-18)28-12-4-11-27-17-6-5-16-9-10-23(3,22(25)26)30-21(16)14-17/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,26)/t23-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168551
PNG
((R)-7-[3-(2-Chloro-4-fluoro-phenoxy)-propoxy]-2-et...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C21H22ClFO5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(23)12-17(18)22/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168554
PNG
((R)-7-{3-[2-Chloro-4-(1,1-dimethyl-propyl)-phenoxy...)
Show SMILES CCC(C)(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C25H31ClO5/c1-5-24(2,3)18-8-10-21(20(26)15-18)30-14-6-13-29-19-9-7-17-11-12-25(4,23(27)28)31-22(17)16-19/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,27,28)/t25-/m1/s1
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n/an/a 1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168552
PNG
((R)-7-[3-(2-Chloro-4-ethoxy-phenoxy)-propoxy]-2-me...)
Show SMILES CCOc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C22H25ClO6/c1-3-26-16-7-8-19(18(23)13-16)28-12-4-11-27-17-6-5-15-9-10-22(2,21(24)25)29-20(15)14-17/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25)/t22-/m1/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168570
PNG
((R)-7-{3-[2-Chloro-4-(tetrahydro-pyran-4-yl)-pheno...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCOCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C26H31ClO6/c1-2-26(25(28)29)11-8-19-4-6-21(17-24(19)33-26)31-12-3-13-32-23-7-5-20(16-22(23)27)18-9-14-30-15-10-18/h4-7,16-18H,2-3,8-15H2,1H3,(H,28,29)/t26-/m1/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168551
PNG
((R)-7-[3-(2-Chloro-4-fluoro-phenoxy)-propoxy]-2-et...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C21H22ClFO5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(23)12-17(18)22/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50148090
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168566
PNG
((R)-7-[3-(2-Chloro-4-fluoro-phenoxy)-propoxy]-2-me...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C20H20ClFO5/c1-20(19(23)24)8-7-13-3-5-15(12-18(13)27-20)25-9-2-10-26-17-6-4-14(22)11-16(17)21/h3-6,11-12H,2,7-10H2,1H3,(H,23,24)/t20-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168571
PNG
((R)-7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phen...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O6/c1-21(20(27)28)8-7-14-3-4-16(12-19(14)32-21)29-9-2-10-30-18-6-5-15(11-17(18)23)31-13-22(24,25)26/h3-6,11-12H,2,7-10,13H2,1H3,(H,27,28)/t21-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168542
PNG
((R)-7-[3-(2-Chloro-4-cyclopropylmethoxy-phenoxy)-p...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC4CC4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C24H27ClO6/c1-24(23(26)27)10-9-17-5-6-19(14-22(17)31-24)28-11-2-12-29-21-8-7-18(13-20(21)25)30-15-16-3-4-16/h5-8,13-14,16H,2-4,9-12,15H2,1H3,(H,26,27)/t24-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168542
PNG
((R)-7-[3-(2-Chloro-4-cyclopropylmethoxy-phenoxy)-p...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC4CC4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C24H27ClO6/c1-24(23(26)27)10-9-17-5-6-19(14-22(17)31-24)28-11-2-12-29-21-8-7-18(13-20(21)25)30-15-16-3-4-16/h5-8,13-14,16H,2-4,9-12,15H2,1H3,(H,26,27)/t24-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168558
PNG
((R)-7-[3-(2-Chloro-4-isopropyl-phenoxy)-propoxy]-2...)
Show SMILES CC(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C23H27ClO5/c1-15(2)17-6-8-20(19(24)13-17)28-12-4-11-27-18-7-5-16-9-10-23(3,22(25)26)29-21(16)14-18/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,26)/t23-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168552
PNG
((R)-7-[3-(2-Chloro-4-ethoxy-phenoxy)-propoxy]-2-me...)
Show SMILES CCOc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C22H25ClO6/c1-3-26-16-7-8-19(18(23)13-16)28-12-4-11-27-17-6-5-15-9-10-22(2,21(24)25)29-20(15)14-17/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25)/t22-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168566
PNG
((R)-7-[3-(2-Chloro-4-fluoro-phenoxy)-propoxy]-2-me...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C20H20ClFO5/c1-20(19(23)24)8-7-13-3-5-15(12-18(13)27-20)25-9-2-10-26-17-6-4-14(22)11-16(17)21/h3-6,11-12H,2,7-10H2,1H3,(H,23,24)/t20-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168543
PNG
((R)-7-[3-(2-Chloro-4-cyclohexyl-phenoxy)-propoxy]-...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C26H31ClO5/c1-26(25(28)29)13-12-19-8-10-21(17-24(19)32-26)30-14-5-15-31-23-11-9-20(16-22(23)27)18-6-3-2-4-7-18/h8-11,16-18H,2-7,12-15H2,1H3,(H,28,29)/t26-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168567
PNG
((R)-7-[3-(2-Chloro-4-isopropyl-phenoxy)-propoxy]-2...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(C)C)cc2O1)C(O)=O
Show InChI InChI=1S/C24H29ClO5/c1-4-24(23(26)27)11-10-17-6-8-19(15-22(17)30-24)28-12-5-13-29-21-9-7-18(16(2)3)14-20(21)25/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,26,27)/t24-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168546
PNG
((R)-7-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-...)
Show SMILES CC(C)(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C24H29ClO5/c1-23(2,3)17-7-9-20(19(25)14-17)29-13-5-12-28-18-8-6-16-10-11-24(4,22(26)27)30-21(16)15-18/h6-9,14-15H,5,10-13H2,1-4H3,(H,26,27)/t24-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168546
PNG
((R)-7-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-...)
Show SMILES CC(C)(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C24H29ClO5/c1-23(2,3)17-7-9-20(19(25)14-17)29-13-5-12-28-18-8-6-16-10-11-24(4,22(26)27)30-21(16)15-18/h6-9,14-15H,5,10-13H2,1-4H3,(H,26,27)/t24-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168547
PNG
((R)-7-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C21H20ClF3O6/c1-20(19(26)27)8-7-13-3-4-14(12-18(13)31-20)28-9-2-10-29-17-6-5-15(11-16(17)22)30-21(23,24)25/h3-6,11-12H,2,7-10H2,1H3,(H,26,27)/t20-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARgamma


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168553
PNG
((R)-7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phen...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C23H24ClF3O6/c1-2-22(21(28)29)9-8-15-4-5-17(13-20(15)33-22)30-10-3-11-31-19-7-6-16(12-18(19)24)32-14-23(25,26)27/h4-7,12-13H,2-3,8-11,14H2,1H3,(H,28,29)/t22-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168556
PNG
((R)-7-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(C)(C)C)cc2O1)C(O)=O
Show InChI InChI=1S/C25H31ClO5/c1-5-25(23(27)28)12-11-17-7-9-19(16-22(17)31-25)29-13-6-14-30-21-10-8-18(15-20(21)26)24(2,3)4/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,27,28)/t25-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168562
PNG
((R)-7-[3-(2-Chloro-4-methoxy-phenoxy)-propoxy]-2-m...)
Show SMILES COc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C21H23ClO6/c1-21(20(23)24)9-8-14-4-5-16(13-19(14)28-21)26-10-3-11-27-18-7-6-15(25-2)12-17(18)22/h4-7,12-13H,3,8-11H2,1-2H3,(H,23,24)/t21-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168544
PNG
((R)-7-[3-(2-Chloro-4-cyclohexyl-phenoxy)-propoxy]-...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C27H33ClO5/c1-2-27(26(29)30)14-13-20-9-11-22(18-25(20)33-27)31-15-6-16-32-24-12-10-21(17-23(24)28)19-7-4-3-5-8-19/h9-12,17-19H,2-8,13-16H2,1H3,(H,29,30)/t27-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168561
PNG
((R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phe...)
Show SMILES CC1(C)CCC(CC1)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C28H35ClO5/c1-27(2)12-9-19(10-13-27)21-6-8-24(23(29)17-21)33-16-4-15-32-22-7-5-20-11-14-28(3,26(30)31)34-25(20)18-22/h5-8,17-19H,4,9-16H2,1-3H3,(H,30,31)/t28-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168550
PNG
((R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phe...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC(C)(C)CC3)cc2O1)C(O)=O
Show InChI InChI=1S/C29H37ClO5/c1-4-29(27(31)32)15-12-21-6-8-23(19-26(21)35-29)33-16-5-17-34-25-9-7-22(18-24(25)30)20-10-13-28(2,3)14-11-20/h6-9,18-20H,4-5,10-17H2,1-3H3,(H,31,32)/t29-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168569
PNG
((S)-7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phen...)
Show SMILES C[C@]1(CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O6/c1-21(20(27)28)8-7-14-3-4-16(12-19(14)32-21)29-9-2-10-30-18-6-5-15(11-17(18)23)31-13-22(24,25)26/h3-6,11-12H,2,7-10,13H2,1H3,(H,27,28)/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARalpha


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168570
PNG
((R)-7-{3-[2-Chloro-4-(tetrahydro-pyran-4-yl)-pheno...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCOCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C26H31ClO6/c1-2-26(25(28)29)11-8-19-4-6-21(17-24(19)33-26)31-12-3-13-32-23-7-5-20(16-22(23)27)18-9-14-30-15-10-18/h4-7,16-18H,2-3,8-15H2,1H3,(H,28,29)/t26-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168568
PNG
((R)-7-[3-(2-Chloro-4-spiro[2.5]oct-6-yl-phenoxy)-p...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC4(CC4)CC3)cc2O1)C(O)=O
Show InChI InChI=1S/C28H33ClO5/c1-27(26(30)31)10-7-20-3-5-22(18-25(20)34-27)32-15-2-16-33-24-6-4-21(17-23(24)29)19-8-11-28(12-9-19)13-14-28/h3-6,17-19H,2,7-16H2,1H3,(H,30,31)/t27-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168555
PNG
((R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(CC(C)C)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C25H31ClO5/c1-4-25(24(27)28)11-10-19-7-8-20(16-23(19)31-25)29-12-5-13-30-22-9-6-18(14-17(2)3)15-21(22)26/h6-9,15-17H,4-5,10-14H2,1-3H3,(H,27,28)/t25-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168569
PNG
((S)-7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phen...)
Show SMILES C[C@]1(CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O6/c1-21(20(27)28)8-7-14-3-4-16(12-19(14)32-21)29-9-2-10-30-18-6-5-15(11-17(18)23)31-13-22(24,25)26/h3-6,11-12H,2,7-10,13H2,1H3,(H,27,28)/t21-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168566
PNG
((R)-7-[3-(2-Chloro-4-fluoro-phenoxy)-propoxy]-2-me...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C20H20ClFO5/c1-20(19(23)24)8-7-13-3-5-15(12-18(13)27-20)25-9-2-10-26-17-6-4-14(22)11-16(17)21/h3-6,11-12H,2,7-10H2,1H3,(H,23,24)/t20-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50168549
PNG
((R)-7-[3-(2-Chloro-4-spiro[2.5]oct-6-yl-phenoxy)-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC4(CC4)CC3)cc2O1)C(O)=O
Show InChI InChI=1S/C29H35ClO5/c1-2-29(27(31)32)13-10-21-4-6-23(19-26(21)35-29)33-16-3-17-34-25-7-5-22(18-24(25)30)20-8-11-28(12-9-20)14-15-28/h4-7,18-20H,2-3,8-17H2,1H3,(H,31,32)/t29-/m1/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPARdelta


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168561
PNG
((R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phe...)
Show SMILES CC1(C)CCC(CC1)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C28H35ClO5/c1-27(2)12-9-19(10-13-27)21-6-8-24(23(29)17-21)33-16-4-15-32-22-7-5-20-11-14-28(3,26(30)31)34-25(20)18-22/h5-8,17-19H,4,9-16H2,1-3H3,(H,30,31)/t28-/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168551
PNG
((R)-7-[3-(2-Chloro-4-fluoro-phenoxy)-propoxy]-2-et...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C21H22ClFO5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(23)12-17(18)22/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/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
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168564
PNG
(7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]...)
Show SMILES OC(=O)C1CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1
Show InChI InChI=1S/C21H20ClF3O6/c22-16-10-14(30-12-21(23,24)25)5-7-17(16)29-9-1-8-28-15-4-2-13-3-6-18(20(26)27)31-19(13)11-15/h2,4-5,7,10-11,18H,1,3,6,8-9,12H2,(H,26,27)
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n/an/an/an/a 3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168545
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H24ClFO6/c1-26(25(29)30)12-11-17-3-6-20(16-24(17)34-26)31-13-2-14-32-23-10-9-21(15-22(23)27)33-19-7-4-18(28)5-8-19/h3-10,15-16H,2,11-14H2,1H3,(H,29,30)/t26-/m1/s1
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n/an/an/an/a 61n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168571
PNG
((R)-7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phen...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O6/c1-21(20(27)28)8-7-14-3-4-16(12-19(14)32-21)29-9-2-10-30-18-6-5-15(11-17(18)23)31-13-22(24,25)26/h3-6,11-12H,2,7-10,13H2,1H3,(H,27,28)/t21-/m1/s1
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n/an/an/an/a 40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168568
PNG
((R)-7-[3-(2-Chloro-4-spiro[2.5]oct-6-yl-phenoxy)-p...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC4(CC4)CC3)cc2O1)C(O)=O
Show InChI InChI=1S/C28H33ClO5/c1-27(26(30)31)10-7-20-3-5-22(18-25(20)34-27)32-15-2-16-33-24-6-4-21(17-23(24)29)19-8-11-28(12-9-19)13-14-28/h3-6,17-19H,2,7-16H2,1H3,(H,30,31)/t27-/m1/s1
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n/an/an/an/a 420n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168545
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H24ClFO6/c1-26(25(29)30)12-11-17-3-6-20(16-24(17)34-26)31-13-2-14-32-23-10-9-21(15-22(23)27)33-19-7-4-18(28)5-8-19/h3-10,15-16H,2,11-14H2,1H3,(H,29,30)/t26-/m1/s1
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n/an/an/an/a 240n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168550
PNG
((R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phe...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC(C)(C)CC3)cc2O1)C(O)=O
Show InChI InChI=1S/C29H37ClO5/c1-4-29(27(31)32)15-12-21-6-8-23(19-26(21)35-29)33-16-5-17-34-25-9-7-22(18-24(25)30)20-10-13-28(2,3)14-11-20/h6-9,18-20H,4-5,10-17H2,1-3H3,(H,31,32)/t29-/m1/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168547
PNG
((R)-7-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C21H20ClF3O6/c1-20(19(26)27)8-7-13-3-4-14(12-18(13)31-20)28-9-2-10-29-17-6-5-15(11-16(17)22)30-21(23,24)25/h3-6,11-12H,2,7-10H2,1H3,(H,26,27)/t20-/m1/s1
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n/an/an/an/a 20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168567
PNG
((R)-7-[3-(2-Chloro-4-isopropyl-phenoxy)-propoxy]-2...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(C)C)cc2O1)C(O)=O
Show InChI InChI=1S/C24H29ClO5/c1-4-24(23(26)27)11-10-17-6-8-19(15-22(17)30-24)28-12-5-13-29-21-9-7-18(16(2)3)14-20(21)25/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,26,27)/t24-/m1/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168554
PNG
((R)-7-{3-[2-Chloro-4-(1,1-dimethyl-propyl)-phenoxy...)
Show SMILES CCC(C)(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C25H31ClO5/c1-5-24(2,3)18-8-10-21(20(26)15-18)30-14-6-13-29-19-9-7-17-11-12-25(4,23(27)28)31-22(17)16-19/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,27,28)/t25-/m1/s1
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n/an/an/an/a 4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168559
PNG
((R)-7-[3-(2,4-Dichloro-phenoxy)-propoxy]-2-ethyl-c...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C21H22Cl2O5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(22)12-17(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1
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n/an/an/an/a 130n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168572
PNG
((R)-7-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O6/c1-2-21(20(27)28)9-8-14-4-5-15(13-19(14)32-21)29-10-3-11-30-18-7-6-16(12-17(18)23)31-22(24,25)26/h4-7,12-13H,2-3,8-11H2,1H3,(H,27,28)/t21-/m1/s1
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n/an/an/an/a 500n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168567
PNG
((R)-7-[3-(2-Chloro-4-isopropyl-phenoxy)-propoxy]-2...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(C)C)cc2O1)C(O)=O
Show InChI InChI=1S/C24H29ClO5/c1-4-24(23(26)27)11-10-17-6-8-19(15-22(17)30-24)28-12-5-13-29-21-9-7-18(16(2)3)14-20(21)25/h6-9,14-16H,4-5,10-13H2,1-3H3,(H,26,27)/t24-/m1/s1
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n/an/an/an/a 24n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168564
PNG
(7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phenoxy]...)
Show SMILES OC(=O)C1CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1
Show InChI InChI=1S/C21H20ClF3O6/c22-16-10-14(30-12-21(23,24)25)5-7-17(16)29-9-1-8-28-15-4-2-13-3-6-18(20(26)27)31-19(13)11-15/h2,4-5,7,10-11,18H,1,3,6,8-9,12H2,(H,26,27)
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n/an/an/an/a 120n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168561
PNG
((R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phe...)
Show SMILES CC1(C)CCC(CC1)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C28H35ClO5/c1-27(2)12-9-19(10-13-27)21-6-8-24(23(29)17-21)33-16-4-15-32-22-7-5-20-11-14-28(3,26(30)31)34-25(20)18-22/h5-8,17-19H,4,9-16H2,1-3H3,(H,30,31)/t28-/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168568
PNG
((R)-7-[3-(2-Chloro-4-spiro[2.5]oct-6-yl-phenoxy)-p...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC4(CC4)CC3)cc2O1)C(O)=O
Show InChI InChI=1S/C28H33ClO5/c1-27(26(30)31)10-7-20-3-5-22(18-25(20)34-27)32-15-2-16-33-24-6-4-21(17-23(24)29)19-8-11-28(12-9-19)13-14-28/h3-6,17-19H,2,7-16H2,1H3,(H,30,31)/t27-/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168544
PNG
((R)-7-[3-(2-Chloro-4-cyclohexyl-phenoxy)-propoxy]-...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C27H33ClO5/c1-2-27(26(29)30)14-13-20-9-11-22(18-25(20)33-27)31-15-6-16-32-24-12-10-21(17-23(24)28)19-7-4-3-5-8-19/h9-12,17-19H,2-8,13-16H2,1H3,(H,29,30)/t27-/m1/s1
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n/an/an/an/a 5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168549
PNG
((R)-7-[3-(2-Chloro-4-spiro[2.5]oct-6-yl-phenoxy)-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC4(CC4)CC3)cc2O1)C(O)=O
Show InChI InChI=1S/C29H35ClO5/c1-2-29(27(31)32)13-10-21-4-6-23(19-26(21)35-29)33-16-3-17-34-25-7-5-22(18-24(25)30)20-8-11-28(12-9-20)14-15-28/h4-7,18-20H,2-3,8-17H2,1H3,(H,31,32)/t29-/m1/s1
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n/an/an/an/a 500n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168543
PNG
((R)-7-[3-(2-Chloro-4-cyclohexyl-phenoxy)-propoxy]-...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C26H31ClO5/c1-26(25(28)29)13-12-19-8-10-21(17-24(19)32-26)30-14-5-15-31-23-11-9-20(16-22(23)27)18-6-3-2-4-7-18/h8-11,16-18H,2-7,12-15H2,1H3,(H,28,29)/t26-/m1/s1
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n/an/an/an/a 700n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168560
PNG
((R)-7-[3-(2-Chloro-4-cyclopentyl-phenoxy)-propoxy]...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C25H29ClO5/c1-25(24(27)28)12-11-18-7-9-20(16-23(18)31-25)29-13-4-14-30-22-10-8-19(15-21(22)26)17-5-2-3-6-17/h7-10,15-17H,2-6,11-14H2,1H3,(H,27,28)/t25-/m1/s1
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n/an/an/an/a 9n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168557
PNG
((R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-...)
Show SMILES CC(C)Cc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C24H29ClO5/c1-16(2)13-17-5-8-21(20(25)14-17)29-12-4-11-28-19-7-6-18-9-10-24(3,23(26)27)30-22(18)15-19/h5-8,14-16H,4,9-13H2,1-3H3,(H,26,27)/t24-/m1/s1
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n/an/an/an/a 500n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168563
PNG
((R)-7-[3-(2-Chloro-4-cyclobutylmethoxy-phenoxy)-pr...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC4CCC4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C25H29ClO6/c1-25(24(27)28)11-10-18-6-7-20(15-23(18)32-25)29-12-3-13-30-22-9-8-19(14-21(22)26)31-16-17-4-2-5-17/h6-9,14-15,17H,2-5,10-13,16H2,1H3,(H,27,28)/t25-/m1/s1
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n/an/an/an/a 700n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168560
PNG
((R)-7-[3-(2-Chloro-4-cyclopentyl-phenoxy)-propoxy]...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C25H29ClO5/c1-25(24(27)28)12-11-18-7-9-20(16-23(18)31-25)29-13-4-14-30-22-10-8-19(15-21(22)26)17-5-2-3-6-17/h7-10,15-17H,2-6,11-14H2,1H3,(H,27,28)/t25-/m1/s1
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n/an/an/an/a 700n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168546
PNG
((R)-7-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-...)
Show SMILES CC(C)(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C24H29ClO5/c1-23(2,3)17-7-9-20(19(25)14-17)29-13-5-12-28-18-8-6-16-10-11-24(4,22(26)27)30-21(16)15-18/h6-9,14-15H,5,10-13H2,1-4H3,(H,26,27)/t24-/m1/s1
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n/an/an/an/a 80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168553
PNG
((R)-7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phen...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C23H24ClF3O6/c1-2-22(21(28)29)9-8-15-4-5-17(13-20(15)33-22)30-10-3-11-31-19-7-6-16(12-18(19)24)32-14-23(25,26)27/h4-7,12-13H,2-3,8-11,14H2,1H3,(H,28,29)/t22-/m1/s1
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n/an/an/an/a 400n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168556
PNG
((R)-7-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(C)(C)C)cc2O1)C(O)=O
Show InChI InChI=1S/C25H31ClO5/c1-5-25(23(27)28)12-11-17-7-9-19(16-22(17)31-25)29-13-6-14-30-21-10-8-18(15-20(21)26)24(2,3)4/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,27,28)/t25-/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168544
PNG
((R)-7-[3-(2-Chloro-4-cyclohexyl-phenoxy)-propoxy]-...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C27H33ClO5/c1-2-27(26(29)30)14-13-20-9-11-22(18-25(20)33-27)31-15-6-16-32-24-12-10-21(17-23(24)28)19-7-4-3-5-8-19/h9-12,17-19H,2-8,13-16H2,1H3,(H,29,30)/t27-/m1/s1
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n/an/an/an/a 400n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168565
PNG
((R)-7-[3-(2-Chloro-4-trifluoromethyl-phenoxy)-prop...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(F)(F)F)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O5/c1-2-21(20(27)28)9-8-14-4-6-16(13-19(14)31-21)29-10-3-11-30-18-7-5-15(12-17(18)23)22(24,25)26/h4-7,12-13H,2-3,8-11H2,1H3,(H,27,28)/t21-/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168543
PNG
((R)-7-[3-(2-Chloro-4-cyclohexyl-phenoxy)-propoxy]-...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCCCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C26H31ClO5/c1-26(25(28)29)13-12-19-8-10-21(17-24(19)32-26)30-14-5-15-31-23-11-9-20(16-22(23)27)18-6-3-2-4-7-18/h8-11,16-18H,2-7,12-15H2,1H3,(H,28,29)/t26-/m1/s1
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n/an/an/an/a 2n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148090
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1
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n/an/an/an/a 40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168556
PNG
((R)-7-[3-(4-tert-Butyl-2-chloro-phenoxy)-propoxy]-...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(C)(C)C)cc2O1)C(O)=O
Show InChI InChI=1S/C25H31ClO5/c1-5-25(23(27)28)12-11-17-7-9-19(16-22(17)31-25)29-13-6-14-30-21-10-8-18(15-20(21)26)24(2,3)4/h7-10,15-16H,5-6,11-14H2,1-4H3,(H,27,28)/t25-/m1/s1
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n/an/an/an/a 28n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168553
PNG
((R)-7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phen...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C23H24ClF3O6/c1-2-22(21(28)29)9-8-15-4-5-17(13-20(15)33-22)30-10-3-11-31-19-7-6-16(12-18(19)24)32-14-23(25,26)27/h4-7,12-13H,2-3,8-11,14H2,1H3,(H,28,29)/t22-/m1/s1
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n/an/an/an/a 4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168565
PNG
((R)-7-[3-(2-Chloro-4-trifluoromethyl-phenoxy)-prop...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C(F)(F)F)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O5/c1-2-21(20(27)28)9-8-14-4-6-16(13-19(14)31-21)29-10-3-11-30-18-7-5-15(12-17(18)23)22(24,25)26/h4-7,12-13H,2-3,8-11H2,1H3,(H,27,28)/t21-/m1/s1
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n/an/an/an/a 36n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168548
PNG
((R)-7-[3-(2-Chloro-4-isopropoxy-phenoxy)-propoxy]-...)
Show SMILES CC(C)Oc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C23H27ClO6/c1-15(2)29-18-7-8-20(19(24)13-18)28-12-4-11-27-17-6-5-16-9-10-23(3,22(25)26)30-21(16)14-17/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,26)/t23-/m1/s1
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n/an/an/an/a 40n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148090
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1
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n/an/an/an/a 170n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168549
PNG
((R)-7-[3-(2-Chloro-4-spiro[2.5]oct-6-yl-phenoxy)-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC4(CC4)CC3)cc2O1)C(O)=O
Show InChI InChI=1S/C29H35ClO5/c1-2-29(27(31)32)13-10-21-4-6-23(19-26(21)35-29)33-16-3-17-34-25-7-5-22(18-24(25)30)20-8-11-28(12-9-20)14-15-28/h4-7,18-20H,2-3,8-17H2,1H3,(H,31,32)/t29-/m1/s1
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n/an/an/an/a 300n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168555
PNG
((R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(CC(C)C)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C25H31ClO5/c1-4-25(24(27)28)11-10-19-7-8-20(16-23(19)31-25)29-12-5-13-30-22-9-6-18(14-17(2)3)15-21(22)26/h6-9,15-17H,4-5,10-14H2,1-3H3,(H,27,28)/t25-/m1/s1
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n/an/an/an/a 7n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168557
PNG
((R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-...)
Show SMILES CC(C)Cc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C24H29ClO5/c1-16(2)13-17-5-8-21(20(25)14-17)29-12-4-11-28-19-7-6-18-9-10-24(3,23(26)27)30-22(18)15-19/h5-8,14-16H,4,9-13H2,1-3H3,(H,26,27)/t24-/m1/s1
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n/an/an/an/a 6n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168559
PNG
((R)-7-[3-(2,4-Dichloro-phenoxy)-propoxy]-2-ethyl-c...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Cl)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C21H22Cl2O5/c1-2-21(20(24)25)9-8-14-4-6-16(13-19(14)28-21)26-10-3-11-27-18-7-5-15(22)12-17(18)23/h4-7,12-13H,2-3,8-11H2,1H3,(H,24,25)/t21-/m1/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168572
PNG
((R)-7-[3-(2-Chloro-4-trifluoromethoxy-phenoxy)-pro...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O6/c1-2-21(20(27)28)9-8-14-4-5-15(13-19(14)32-21)29-10-3-11-30-18-7-6-16(12-17(18)23)31-22(24,25)26/h4-7,12-13H,2-3,8-11H2,1H3,(H,27,28)/t21-/m1/s1
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n/an/an/an/a 6n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168558
PNG
((R)-7-[3-(2-Chloro-4-isopropyl-phenoxy)-propoxy]-2...)
Show SMILES CC(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C23H27ClO5/c1-15(2)17-6-8-20(19(24)13-17)28-12-4-11-27-18-7-5-16-9-10-23(3,22(25)26)29-21(16)14-18/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,26)/t23-/m1/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
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168552
PNG
((R)-7-[3-(2-Chloro-4-ethoxy-phenoxy)-propoxy]-2-me...)
Show SMILES CCOc1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C22H25ClO6/c1-3-26-16-7-8-19(18(23)13-16)28-12-4-11-27-17-6-5-15-9-10-22(2,21(24)25)29-20(15)14-17/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,24,25)/t22-/m1/s1
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n/an/an/an/a 220n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168555
PNG
((R)-7-[3-(2-Chloro-4-isobutyl-phenoxy)-propoxy]-2-...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(CC(C)C)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C25H31ClO5/c1-4-25(24(27)28)11-10-19-7-8-20(16-23(19)31-25)29-12-5-13-30-22-9-6-18(14-17(2)3)15-21(22)26/h6-9,15-17H,4-5,10-14H2,1-3H3,(H,27,28)/t25-/m1/s1
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n/an/an/an/a 600n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168542
PNG
((R)-7-[3-(2-Chloro-4-cyclopropylmethoxy-phenoxy)-p...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC4CC4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C24H27ClO6/c1-24(23(26)27)10-9-17-5-6-19(14-22(17)31-24)28-11-2-12-29-21-8-7-18(13-20(21)25)30-15-16-3-4-16/h5-8,13-14,16H,2-4,9-12,15H2,1H3,(H,26,27)/t24-/m1/s1
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n/an/an/an/a 240n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168550
PNG
((R)-7-{3-[2-Chloro-4-(4,4-dimethyl-cyclohexyl)-phe...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCC(C)(C)CC3)cc2O1)C(O)=O
Show InChI InChI=1S/C29H37ClO5/c1-4-29(27(31)32)15-12-21-6-8-23(19-26(21)35-29)33-16-5-17-34-25-9-7-22(18-24(25)30)20-10-13-28(2,3)14-11-20/h6-9,18-20H,4-5,10-17H2,1-3H3,(H,31,32)/t29-/m1/s1
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n/an/an/an/a 700n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168563
PNG
((R)-7-[3-(2-Chloro-4-cyclobutylmethoxy-phenoxy)-pr...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC4CCC4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C25H29ClO6/c1-25(24(27)28)11-10-18-6-7-20(15-23(18)32-25)29-12-3-13-30-22-9-8-19(14-21(22)26)31-16-17-4-2-5-17/h6-9,14-15,17H,2-5,10-13,16H2,1H3,(H,27,28)/t25-/m1/s1
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n/an/an/an/a 140n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168570
PNG
((R)-7-{3-[2-Chloro-4-(tetrahydro-pyran-4-yl)-pheno...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(cc3Cl)C3CCOCC3)cc2O1)C(O)=O
Show InChI InChI=1S/C26H31ClO6/c1-2-26(25(28)29)11-8-19-4-6-21(17-24(19)33-26)31-12-3-13-32-23-7-5-20(16-22(23)27)18-9-14-30-15-10-18/h4-7,16-18H,2-3,8-15H2,1H3,(H,28,29)/t26-/m1/s1
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n/an/an/an/a 22n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50168571
PNG
((R)-7-{3-[2-Chloro-4-(2,2,2-trifluoro-ethoxy)-phen...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C22H22ClF3O6/c1-21(20(27)28)8-7-14-3-4-16(12-19(14)32-21)29-9-2-10-30-18-6-5-15(11-17(18)23)31-13-22(24,25)26/h3-6,11-12H,2,7-10,13H2,1H3,(H,27,28)/t21-/m1/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
Agonist activity against human PPARgamma in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50168558
PNG
((R)-7-[3-(2-Chloro-4-isopropyl-phenoxy)-propoxy]-2...)
Show SMILES CC(C)c1ccc(OCCCOc2ccc3CC[C@@](C)(Oc3c2)C(O)=O)c(Cl)c1
Show InChI InChI=1S/C23H27ClO5/c1-15(2)17-6-8-20(19(24)13-17)28-12-4-11-27-18-7-5-16-9-10-23(3,22(25)26)29-21(16)14-18/h5-8,13-15H,4,9-12H2,1-3H3,(H,25,26)/t23-/m1/s1
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n/an/an/an/a 23n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity against human PPARalpha in COS-1 cell Gal4 assay


Bioorg Med Chem Lett 15: 3347-51 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.028
BindingDB Entry DOI: 10.7270/Q22N51TV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%