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PubMed code 12873517

Compile data set for download or QSAR
Found 90 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


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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor alpha

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131506
PNG
(5-(3-{3-[4-(4-Fluoro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)29-27(31)35-25/h3,6-13,16-17,30H,2,4-5,14-15H2,1H3,(H,29,31)
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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 Peroxisome proliferator activated receptor delta

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131514
PNG
(5-(3-{3-[4-(4-Hydroxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO6S/c1-2-5-18-16-23(34-21-10-8-20(29)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)28-27(31)35-25/h3,6-13,16-17,29-30H,2,4-5,14-15H2,1H3,(H,28,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131502
PNG
(5-{3-[3-(4-Phenoxy-phenoxy)-propoxy]-phenyl}-thiaz...)
Show SMILES Oc1[nH]c(=O)sc1-c1cccc(OCCCOc2ccc(Oc3ccccc3)cc2)c1
Show InChI InChI=1S/C24H21NO5S/c26-23-22(31-24(27)25-23)17-6-4-9-21(16-17)29-15-5-14-28-18-10-12-20(13-11-18)30-19-7-2-1-3-8-19/h1-4,6-13,16,26H,5,14-15H2,(H,25,27)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor alpha

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131512
PNG
(5-(3-{3-[4-(4-Chloro-3-methyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H28ClNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)
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n/an/a 56n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


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

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131511
PNG
(5-(3-{3-[4-(3,4-Dichloro-phenoxy)-2-propyl-phenoxy...)
Show SMILES CCCc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H25Cl2NO5S/c1-2-5-17-14-20(35-21-8-10-22(28)23(29)16-21)9-11-24(17)34-13-4-12-33-19-7-3-6-18(15-19)25-26(31)30-27(32)36-25/h3,6-11,14-16,31H,2,4-5,12-13H2,1H3,(H,30,32)
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n/an/a 64n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor delta

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131511
PNG
(5-(3-{3-[4-(3,4-Dichloro-phenoxy)-2-propyl-phenoxy...)
Show SMILES CCCc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H25Cl2NO5S/c1-2-5-17-14-20(35-21-8-10-22(28)23(29)16-21)9-11-24(17)34-13-4-12-33-19-7-3-6-18(15-19)25-26(31)30-27(32)36-25/h3,6-11,14-16,31H,2,4-5,12-13H2,1H3,(H,30,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor alpha

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131504
PNG
(5-(3-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)29-27(31)35-25/h3,6-13,16-17,30H,2,4-5,14-15H2,1H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131502
PNG
(5-{3-[3-(4-Phenoxy-phenoxy)-propoxy]-phenyl}-thiaz...)
Show SMILES Oc1[nH]c(=O)sc1-c1cccc(OCCCOc2ccc(Oc3ccccc3)cc2)c1
Show InChI InChI=1S/C24H21NO5S/c26-23-22(31-24(27)25-23)17-6-4-9-21(16-17)29-15-5-14-28-18-10-12-20(13-11-18)30-19-7-2-1-3-8-19/h1-4,6-13,16,26H,5,14-15H2,(H,25,27)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131506
PNG
(5-(3-{3-[4-(4-Fluoro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)29-27(31)35-25/h3,6-13,16-17,30H,2,4-5,14-15H2,1H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131505
PNG
(5-(3-{3-[4-(4-Fluoro-3-methyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(F)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H28FNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131504
PNG
(5-(3-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)29-27(31)35-25/h3,6-13,16-17,30H,2,4-5,14-15H2,1H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor alpha

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131505
PNG
(5-(3-{3-[4-(4-Fluoro-3-methyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(F)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H28FNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor delta

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131512
PNG
(5-(3-{3-[4-(4-Chloro-3-methyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H28ClNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human peroxisome proliferator activated receptor gamma measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131509
PNG
(5-(3-{3-[4-(4-Isopropyl-phenoxy)-2-propyl-phenoxy]...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C(C)C)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C30H33NO5S/c1-4-7-22-18-26(36-24-12-10-21(11-13-24)20(2)3)14-15-27(22)35-17-6-16-34-25-9-5-8-23(19-25)28-29(32)31-30(33)37-28/h5,8-15,18-20,32H,4,6-7,16-17H2,1-3H3,(H,31,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor alpha

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127931
PNG
(5-{4-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO5S/c1-2-7-20-18-23(33-22-8-4-3-5-9-22)14-15-24(20)32-17-6-16-31-21-12-10-19(11-13-21)25-26(29)28-27(30)34-25/h3-5,8-15,18,29H,2,6-7,16-17H2,1H3,(H,28,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131502
PNG
(5-{3-[3-(4-Phenoxy-phenoxy)-propoxy]-phenyl}-thiaz...)
Show SMILES Oc1[nH]c(=O)sc1-c1cccc(OCCCOc2ccc(Oc3ccccc3)cc2)c1
Show InChI InChI=1S/C24H21NO5S/c26-23-22(31-24(27)25-23)17-6-4-9-21(16-17)29-15-5-14-28-18-10-12-20(13-11-18)30-19-7-2-1-3-8-19/h1-4,6-13,16,26H,5,14-15H2,(H,25,27)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor delta

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131501
PNG
(5-{3-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-pheny...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-2-9-20-18-24(34-22-11-4-3-5-12-22)14-15-25(20)33-17-7-6-16-32-23-13-8-10-21(19-23)26-27(30)29-28(31)35-26/h3-5,8,10-15,18-19,30H,2,6-7,9,16-17H2,1H3,(H,29,31)
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n/an/a 195n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131513
PNG
(5-(3-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(cc2)-c2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C33H31NO5S/c1-2-8-25-21-29(39-27-15-13-24(14-16-27)23-9-4-3-5-10-23)17-18-30(25)38-20-7-19-37-28-12-6-11-26(22-28)31-32(35)34-33(36)40-31/h3-6,9-18,21-22,35H,2,7-8,19-20H2,1H3,(H,34,36)
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n/an/a 226n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/a 250n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor delta

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131510
PNG
(5-(3-{3-[4-(4-Isobutyl-phenoxy)-2-propyl-phenoxy]-...)
Show SMILES CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C31H35NO5S/c1-4-7-23-19-27(37-25-12-10-22(11-13-25)18-21(2)3)14-15-28(23)36-17-6-16-35-26-9-5-8-24(20-26)29-30(33)32-31(34)38-29/h5,8-15,19-21,33H,4,6-7,16-18H2,1-3H3,(H,32,34)
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n/an/a 291n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131508
PNG
(5-(3-{3-[4-(4-Methoxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-6-19-17-24(35-22-11-9-21(32-2)10-12-22)13-14-25(19)34-16-5-15-33-23-8-4-7-20(18-23)26-27(30)29-28(31)36-26/h4,7-14,17-18,30H,3,5-6,15-16H2,1-2H3,(H,29,31)
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n/an/a 300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131507
PNG
(5-(3-{3-[4-(4-Cyclopentyl-phenoxy)-2-propyl-phenox...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C2CCCC2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C32H35NO5S/c1-2-7-24-20-28(38-26-14-12-23(13-15-26)22-8-3-4-9-22)16-17-29(24)37-19-6-18-36-27-11-5-10-25(21-27)30-31(34)33-32(35)39-30/h5,10-17,20-22,34H,2-4,6-9,18-19H2,1H3,(H,33,35)
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n/an/a 330n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131515
PNG
(5-(3-{3-[4-(4-tert-Butyl-phenoxy)-2-propyl-phenoxy...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C(C)(C)C)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C31H35NO5S/c1-5-8-21-19-26(37-24-13-11-23(12-14-24)31(2,3)4)15-16-27(21)36-18-7-17-35-25-10-6-9-22(20-25)28-29(33)32-30(34)38-28/h6,9-16,19-20,33H,5,7-8,17-18H2,1-4H3,(H,32,34)
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n/an/a 335n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131514
PNG
(5-(3-{3-[4-(4-Hydroxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO6S/c1-2-5-18-16-23(34-21-10-8-20(29)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)28-27(31)35-25/h3,6-13,16-17,29-30H,2,4-5,14-15H2,1H3,(H,28,31)
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n/an/a 950n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131507
PNG
(5-(3-{3-[4-(4-Cyclopentyl-phenoxy)-2-propyl-phenox...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C2CCCC2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C32H35NO5S/c1-2-7-24-20-28(38-26-14-12-23(13-15-26)22-8-3-4-9-22)16-17-29(24)37-19-6-18-36-27-11-5-10-25(21-27)30-31(34)33-32(35)39-30/h5,10-17,20-22,34H,2-4,6-9,18-19H2,1H3,(H,33,35)
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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 Peroxisome proliferator activated receptor alpha

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131509
PNG
(5-(3-{3-[4-(4-Isopropyl-phenoxy)-2-propyl-phenoxy]...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C(C)C)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C30H33NO5S/c1-4-7-22-18-26(36-24-12-10-21(11-13-24)20(2)3)14-15-27(22)35-17-6-16-34-25-9-5-8-23(19-25)28-29(32)31-30(33)37-28/h5,8-15,18-20,32H,4,6-7,16-17H2,1-3H3,(H,31,33)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131508
PNG
(5-(3-{3-[4-(4-Methoxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-6-19-17-24(35-22-11-9-21(32-2)10-12-22)13-14-25(19)34-16-5-15-33-23-8-4-7-20(18-23)26-27(30)29-28(31)36-26/h4,7-14,17-18,30H,3,5-6,15-16H2,1-2H3,(H,29,31)
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n/an/a 2.55E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor alpha

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131501
PNG
(5-{3-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-pheny...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-2-9-20-18-24(34-22-11-4-3-5-12-22)14-15-25(20)33-17-7-6-16-32-23-13-8-10-21(19-23)26-27(30)29-28(31)35-26/h3-5,8,10-15,18-19,30H,2,6-7,9,16-17H2,1H3,(H,29,31)
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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 Peroxisome proliferator activated receptor delta

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131514
PNG
(5-(3-{3-[4-(4-Hydroxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO6S/c1-2-5-18-16-23(34-21-10-8-20(29)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)28-27(31)35-25/h3,6-13,16-17,29-30H,2,4-5,14-15H2,1H3,(H,28,31)
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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 Peroxisome proliferator activated receptor alpha

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131501
PNG
(5-{3-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-pheny...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-2-9-20-18-24(34-22-11-4-3-5-12-22)14-15-25(20)33-17-7-6-16-32-23-13-8-10-21(19-23)26-27(30)29-28(31)35-26/h3-5,8,10-15,18-19,30H,2,6-7,9,16-17H2,1H3,(H,29,31)
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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 Peroxisome proliferator activated receptor alpha

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131506
PNG
(5-(3-{3-[4-(4-Fluoro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)29-27(31)35-25/h3,6-13,16-17,30H,2,4-5,14-15H2,1H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor alpha

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127931
PNG
(5-{4-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO5S/c1-2-7-20-18-23(33-22-8-4-3-5-9-22)14-15-24(20)32-17-6-16-31-21-12-10-19(11-13-21)25-26(29)28-27(30)34-25/h3-5,8-15,18,29H,2,6-7,16-17H2,1H3,(H,28,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor delta

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131508
PNG
(5-(3-{3-[4-(4-Methoxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-6-19-17-24(35-22-11-9-21(32-2)10-12-22)13-14-25(19)34-16-5-15-33-23-8-4-7-20(18-23)26-27(30)29-28(31)36-26/h4,7-14,17-18,30H,3,5-6,15-16H2,1-2H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor delta

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


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

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor delta

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131510
PNG
(5-(3-{3-[4-(4-Isobutyl-phenoxy)-2-propyl-phenoxy]-...)
Show SMILES CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C31H35NO5S/c1-4-7-23-19-27(37-25-12-10-22(11-13-25)18-21(2)3)14-15-28(23)36-17-6-16-35-26-9-5-8-24(20-26)29-30(33)32-31(34)38-29/h5,8-15,19-21,33H,4,6-7,16-18H2,1-3H3,(H,32,34)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor alpha

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131515
PNG
(5-(3-{3-[4-(4-tert-Butyl-phenoxy)-2-propyl-phenoxy...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C(C)(C)C)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C31H35NO5S/c1-5-8-21-19-26(37-24-13-11-23(12-14-24)31(2,3)4)15-16-27(21)36-18-7-17-35-25-10-6-9-22(20-25)28-29(33)32-30(34)38-28/h6,9-16,19-20,33H,5,7-8,17-18H2,1-4H3,(H,32,34)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor alpha

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131513
PNG
(5-(3-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(cc2)-c2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C33H31NO5S/c1-2-8-25-21-29(39-27-15-13-24(14-16-27)23-9-4-3-5-10-23)17-18-30(25)38-20-7-19-37-28-12-6-11-26(22-28)31-32(35)34-33(36)40-31/h3-6,9-18,21-22,35H,2,7-8,19-20H2,1H3,(H,34,36)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor alpha

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131512
PNG
(5-(3-{3-[4-(4-Chloro-3-methyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H28ClNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor delta

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human peroxisome proliferator activated receptor gamma measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131507
PNG
(5-(3-{3-[4-(4-Cyclopentyl-phenoxy)-2-propyl-phenox...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C2CCCC2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C32H35NO5S/c1-2-7-24-20-28(38-26-14-12-23(13-15-26)22-8-3-4-9-22)16-17-29(24)37-19-6-18-36-27-11-5-10-25(21-27)30-31(34)33-32(35)39-30/h5,10-17,20-22,34H,2-4,6-9,18-19H2,1H3,(H,33,35)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor delta

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131515
PNG
(5-(3-{3-[4-(4-tert-Butyl-phenoxy)-2-propyl-phenoxy...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C(C)(C)C)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C31H35NO5S/c1-5-8-21-19-26(37-24-13-11-23(12-14-24)31(2,3)4)15-16-27(21)36-18-7-17-35-25-10-6-9-22(20-25)28-29(33)32-30(34)38-28/h6,9-16,19-20,33H,5,7-8,17-18H2,1-4H3,(H,32,34)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor delta

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127931
PNG
(5-{4-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO5S/c1-2-7-20-18-23(33-22-8-4-3-5-9-22)14-15-24(20)32-17-6-16-31-21-12-10-19(11-13-21)25-26(29)28-27(30)34-25/h3-5,8-15,18,29H,2,6-7,16-17H2,1H3,(H,28,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor delta

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131510
PNG
(5-(3-{3-[4-(4-Isobutyl-phenoxy)-2-propyl-phenoxy]-...)
Show SMILES CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C31H35NO5S/c1-4-7-23-19-27(37-25-12-10-22(11-13-25)18-21(2)3)14-15-28(23)36-17-6-16-35-26-9-5-8-24(20-26)29-30(33)32-31(34)38-29/h5,8-15,19-21,33H,4,6-7,16-18H2,1-3H3,(H,32,34)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor delta

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131511
PNG
(5-(3-{3-[4-(3,4-Dichloro-phenoxy)-2-propyl-phenoxy...)
Show SMILES CCCc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H25Cl2NO5S/c1-2-5-17-14-20(35-21-8-10-22(28)23(29)16-21)9-11-24(17)34-13-4-12-33-19-7-3-6-18(15-19)25-26(31)30-27(32)36-25/h3,6-11,14-16,31H,2,4-5,12-13H2,1H3,(H,30,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human peroxisome proliferator activated receptor gamma measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131505
PNG
(5-(3-{3-[4-(4-Fluoro-3-methyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(F)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H28FNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131504
PNG
(5-(3-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)29-27(31)35-25/h3,6-13,16-17,30H,2,4-5,14-15H2,1H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor alpha

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131509
PNG
(5-(3-{3-[4-(4-Isopropyl-phenoxy)-2-propyl-phenoxy]...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C(C)C)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C30H33NO5S/c1-4-7-22-18-26(36-24-12-10-21(11-13-24)20(2)3)14-15-27(22)35-17-6-16-34-25-9-5-8-23(19-25)28-29(32)31-30(33)37-28/h5,8-15,18-20,32H,4,6-7,16-17H2,1-3H3,(H,31,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human peroxisome proliferator activated receptor gamma measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131513
PNG
(5-(3-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(cc2)-c2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C33H31NO5S/c1-2-8-25-21-29(39-27-15-13-24(14-16-27)23-9-4-3-5-10-23)17-18-30(25)38-20-7-19-37-28-12-6-11-26(22-28)31-32(35)34-33(36)40-31/h3-6,9-18,21-22,35H,2,7-8,19-20H2,1H3,(H,34,36)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor delta

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131514
PNG
(5-(3-{3-[4-(4-Hydroxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO6S/c1-2-5-18-16-23(34-21-10-8-20(29)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)28-27(31)35-25/h3,6-13,16-17,29-30H,2,4-5,14-15H2,1H3,(H,28,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha measured in PPAR-GAL4 chimeric COS-1 cell

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131505
PNG
(5-(3-{3-[4-(4-Fluoro-3-methyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(F)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H28FNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha measured in PPAR-GAL4 chimeric COS-1 cell

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131507
PNG
(5-(3-{3-[4-(4-Cyclopentyl-phenoxy)-2-propyl-phenox...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C2CCCC2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C32H35NO5S/c1-2-7-24-20-28(38-26-14-12-23(13-15-26)22-8-3-4-9-22)16-17-29(24)37-19-6-18-36-27-11-5-10-25(21-27)30-31(34)33-32(35)39-30/h5,10-17,20-22,34H,2-4,6-9,18-19H2,1H3,(H,33,35)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha measured in PPAR-GAL4 chimeric COS-1 cell

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


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

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131505
PNG
(5-(3-{3-[4-(4-Fluoro-3-methyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(F)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H28FNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)
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n/an/an/an/a 106n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human peroxisome proliferator activated receptor gamma measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131507
PNG
(5-(3-{3-[4-(4-Cyclopentyl-phenoxy)-2-propyl-phenox...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C2CCCC2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C32H35NO5S/c1-2-7-24-20-28(38-26-14-12-23(13-15-26)22-8-3-4-9-22)16-17-29(24)37-19-6-18-36-27-11-5-10-25(21-27)30-31(34)33-32(35)39-30/h5,10-17,20-22,34H,2-4,6-9,18-19H2,1H3,(H,33,35)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131512
PNG
(5-(3-{3-[4-(4-Chloro-3-methyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H28ClNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131504
PNG
(5-(3-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)29-27(31)35-25/h3,6-13,16-17,30H,2,4-5,14-15H2,1H3,(H,29,31)
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n/an/an/an/a 165n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human peroxisome proliferator activated receptor gamma measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131514
PNG
(5-(3-{3-[4-(4-Hydroxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO6S/c1-2-5-18-16-23(34-21-10-8-20(29)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)28-27(31)35-25/h3,6-13,16-17,29-30H,2,4-5,14-15H2,1H3,(H,28,31)
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n/an/an/an/a 23n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor delta

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/an/an/a 20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human peroxisome proliferator activated receptor gamma measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131511
PNG
(5-(3-{3-[4-(3,4-Dichloro-phenoxy)-2-propyl-phenoxy...)
Show SMILES CCCc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H25Cl2NO5S/c1-2-5-17-14-20(35-21-8-10-22(28)23(29)16-21)9-11-24(17)34-13-4-12-33-19-7-3-6-18(15-19)25-26(31)30-27(32)36-25/h3,6-11,14-16,31H,2,4-5,12-13H2,1H3,(H,30,32)
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n/an/an/an/a 47n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human peroxisome proliferator activated receptor gamma measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131504
PNG
(5-(3-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)29-27(31)35-25/h3,6-13,16-17,30H,2,4-5,14-15H2,1H3,(H,29,31)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131504
PNG
(5-(3-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)29-27(31)35-25/h3,6-13,16-17,30H,2,4-5,14-15H2,1H3,(H,29,31)
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n/an/an/an/a 180n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha measured in PPAR-GAL4 chimeric COS-1 cell

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131512
PNG
(5-(3-{3-[4-(4-Chloro-3-methyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H28ClNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)
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n/an/an/an/a 27n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human peroxisome proliferator activated receptor gamma

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131509
PNG
(5-(3-{3-[4-(4-Isopropyl-phenoxy)-2-propyl-phenoxy]...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C(C)C)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C30H33NO5S/c1-4-7-22-18-26(36-24-12-10-21(11-13-24)20(2)3)14-15-27(22)35-17-6-16-34-25-9-5-8-23(19-25)28-29(32)31-30(33)37-28/h5,8-15,18-20,32H,4,6-7,16-17H2,1-3H3,(H,31,33)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha measured in PPAR-GAL4 chimeric COS-1 cell

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131508
PNG
(5-(3-{3-[4-(4-Methoxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-6-19-17-24(35-22-11-9-21(32-2)10-12-22)13-14-25(19)34-16-5-15-33-23-8-4-7-20(18-23)26-27(30)29-28(31)36-26/h4,7-14,17-18,30H,3,5-6,15-16H2,1-2H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha measured in PPAR-GAL4 chimeric COS-1 cell

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131506
PNG
(5-(3-{3-[4-(4-Fluoro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)29-27(31)35-25/h3,6-13,16-17,30H,2,4-5,14-15H2,1H3,(H,29,31)
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n/an/an/an/a 66n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha measured in PPAR-GAL4 chimeric COS-1 cell

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131513
PNG
(5-(3-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(cc2)-c2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C33H31NO5S/c1-2-8-25-21-29(39-27-15-13-24(14-16-27)23-9-4-3-5-10-23)17-18-30(25)38-20-7-19-37-28-12-6-11-26(22-28)31-32(35)34-33(36)40-31/h3-6,9-18,21-22,35H,2,7-8,19-20H2,1H3,(H,34,36)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha measured in PPAR-GAL4 chimeric COS-1 cell

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor alpha

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127931
PNG
(5-{4-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO5S/c1-2-7-20-18-23(33-22-8-4-3-5-9-22)14-15-24(20)32-17-6-16-31-21-12-10-19(11-13-21)25-26(29)28-27(30)34-25/h3-5,8-15,18,29H,2,6-7,16-17H2,1H3,(H,28,30)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131508
PNG
(5-(3-{3-[4-(4-Methoxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-6-19-17-24(35-22-11-9-21(32-2)10-12-22)13-14-25(19)34-16-5-15-33-23-8-4-7-20(18-23)26-27(30)29-28(31)36-26/h4,7-14,17-18,30H,3,5-6,15-16H2,1-2H3,(H,29,31)
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n/an/an/an/a 69n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor alpha

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131511
PNG
(5-(3-{3-[4-(3,4-Dichloro-phenoxy)-2-propyl-phenoxy...)
Show SMILES CCCc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H25Cl2NO5S/c1-2-5-17-14-20(35-21-8-10-22(28)23(29)16-21)9-11-24(17)34-13-4-12-33-19-7-3-6-18(15-19)25-26(31)30-27(32)36-25/h3,6-11,14-16,31H,2,4-5,12-13H2,1H3,(H,30,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human peroxisome proliferator activated receptor gamma measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131511
PNG
(5-(3-{3-[4-(3,4-Dichloro-phenoxy)-2-propyl-phenoxy...)
Show SMILES CCCc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H25Cl2NO5S/c1-2-5-17-14-20(35-21-8-10-22(28)23(29)16-21)9-11-24(17)34-13-4-12-33-19-7-3-6-18(15-19)25-26(31)30-27(32)36-25/h3,6-11,14-16,31H,2,4-5,12-13H2,1H3,(H,30,32)
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n/an/an/an/a 82n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha measured in PPAR-GAL4 chimeric COS-1 cell

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131505
PNG
(5-(3-{3-[4-(4-Fluoro-3-methyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(F)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H28FNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131509
PNG
(5-(3-{3-[4-(4-Isopropyl-phenoxy)-2-propyl-phenoxy]...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C(C)C)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C30H33NO5S/c1-4-7-22-18-26(36-24-12-10-21(11-13-24)20(2)3)14-15-27(22)35-17-6-16-34-25-9-5-8-23(19-25)28-29(32)31-30(33)37-28/h5,8-15,18-20,32H,4,6-7,16-17H2,1-3H3,(H,31,33)
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n/an/an/an/a 167n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human peroxisome proliferator activated receptor gamma measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127931
PNG
(5-{4-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO5S/c1-2-7-20-18-23(33-22-8-4-3-5-9-22)14-15-24(20)32-17-6-16-31-21-12-10-19(11-13-21)25-26(29)28-27(30)34-25/h3-5,8-15,18,29H,2,6-7,16-17H2,1H3,(H,28,30)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transcriptional activation in COS cells expressing human peroxisome proliferator activated receptor alpha PPAR-GAL4 chimera

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha measured in PPAR-GAL4 chimeric COS-1 cell

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131507
PNG
(5-(3-{3-[4-(4-Cyclopentyl-phenoxy)-2-propyl-phenox...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C2CCCC2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C32H35NO5S/c1-2-7-24-20-28(38-26-14-12-23(13-15-26)22-8-3-4-9-22)16-17-29(24)37-19-6-18-36-27-11-5-10-25(21-27)30-31(34)33-32(35)39-30/h5,10-17,20-22,34H,2-4,6-9,18-19H2,1H3,(H,33,35)
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n/an/an/an/a 123n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human Peroxisome proliferator activated receptor delta

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131506
PNG
(5-(3-{3-[4-(4-Fluoro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)29-27(31)35-25/h3,6-13,16-17,30H,2,4-5,14-15H2,1H3,(H,29,31)
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n/an/an/an/a 85n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human peroxisome proliferator activated receptor gamma measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131513
PNG
(5-(3-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(cc2)-c2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C33H31NO5S/c1-2-8-25-21-29(39-27-15-13-24(14-16-27)23-9-4-3-5-10-23)17-18-30(25)38-20-7-19-37-28-12-6-11-26(22-28)31-32(35)34-33(36)40-31/h3-6,9-18,21-22,35H,2,7-8,19-20H2,1H3,(H,34,36)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human peroxisome proliferator activated receptor gamma measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50131513
PNG
(5-(3-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(cc2)-c2ccccc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C33H31NO5S/c1-2-8-25-21-29(39-27-15-13-24(14-16-27)23-9-4-3-5-10-23)17-18-30(25)38-20-7-19-37-28-12-6-11-26(22-28)31-32(35)34-33(36)40-31/h3-6,9-18,21-22,35H,2,7-8,19-20H2,1H3,(H,34,36)
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n/an/an/an/a 353n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human PPAR alpha receptor

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50131512
PNG
(5-(3-{3-[4-(4-Chloro-3-methyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H28ClNO5S/c1-3-6-19-16-23(35-22-9-11-24(29)18(2)15-22)10-12-25(19)34-14-5-13-33-21-8-4-7-20(17-21)26-27(31)30-28(32)36-26/h4,7-12,15-17,31H,3,5-6,13-14H2,1-2H3,(H,30,32)
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n/an/an/an/a 156n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor alpha measured in PPAR-GAL4 chimeric COS-1 cell

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131509
PNG
(5-(3-{3-[4-(4-Isopropyl-phenoxy)-2-propyl-phenoxy]...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C(C)C)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C30H33NO5S/c1-4-7-22-18-26(36-24-12-10-21(11-13-24)20(2)3)14-15-27(22)35-17-6-16-34-25-9-5-8-23(19-25)28-29(32)31-30(33)37-28/h5,8-15,18-20,32H,4,6-7,16-17H2,1-3H3,(H,31,33)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127931
PNG
(5-{4-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-phen...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO5S/c1-2-7-20-18-23(33-22-8-4-3-5-9-22)14-15-24(20)32-17-6-16-31-21-12-10-19(11-13-21)25-26(29)28-27(30)34-25/h3-5,8-15,18,29H,2,6-7,16-17H2,1H3,(H,28,30)
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n/an/an/an/a 300n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transcriptional activation in COS cells expressing human peroxisome proliferator activated receptor alpha PPAR-GAL4 chimera

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131508
PNG
(5-(3-{3-[4-(4-Methoxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-6-19-17-24(35-22-11-9-21(32-2)10-12-22)13-14-25(19)34-16-5-15-33-23-8-4-7-20(18-23)26-27(30)29-28(31)36-26/h4,7-14,17-18,30H,3,5-6,15-16H2,1-2H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human peroxisome proliferator activated receptor gamma measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131506
PNG
(5-(3-{3-[4-(4-Fluoro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-5-18-16-23(34-21-10-8-20(28)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)29-27(31)35-25/h3,6-13,16-17,30H,2,4-5,14-15H2,1H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50131514
PNG
(5-(3-{3-[4-(4-Hydroxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1cccc(c1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H27NO6S/c1-2-5-18-16-23(34-21-10-8-20(29)9-11-21)12-13-24(18)33-15-4-14-32-22-7-3-6-19(17-22)25-26(30)28-27(31)35-25/h3,6-13,16-17,29-30H,2,4-5,14-15H2,1H3,(H,28,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transactivation of human Peroxisome proliferator activated receptor delta measured in PPAR-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 2795-8 (2003)


BindingDB Entry DOI: 10.7270/Q25D8R7K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%