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PubMed code 12729668

Compile data set for download or QSAR
Found 106 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 gamma


(Homo sapiens (Human))		BDBM50127923
PNG
(5-{4-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-3-pr...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1CCC)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C30H33NO5S/c1-3-9-21-19-23(28-29(32)31-30(33)37-28)13-15-26(21)34-17-8-18-35-27-16-14-25(20-22(27)10-4-2)36-24-11-6-5-7-12-24/h5-7,11-16,19-20,32H,3-4,8-10,17-18H2,1-2H3,(H,31,33)
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n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127935
PNG
(5-(4-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(cc2)-c2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C33H31NO5S/c1-2-7-26-22-29(39-28-16-10-24(11-17-28)23-8-4-3-5-9-23)18-19-30(26)38-21-6-20-37-27-14-12-25(13-15-27)31-32(35)34-33(36)40-31/h3-5,8-19,22,35H,2,6-7,20-21H2,1H3,(H,34,36)
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127932
PNG
(5-(4-{3-[4-(4-Isobutyl-phenoxy)-2-propyl-phenoxy]-...)
Show SMILES CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C31H35NO5S/c1-4-6-24-20-27(37-26-11-7-22(8-12-26)19-21(2)3)15-16-28(24)36-18-5-17-35-25-13-9-23(10-14-25)29-30(33)32-31(34)38-29/h7-16,20-21,33H,4-6,17-19H2,1-3H3,(H,32,34)
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n/an/a 130n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127928
PNG
(5-{4-[3-(2-Isobutyl-4-phenoxy-phenoxy)-propoxy]-ph...)
Show SMILES CC(C)Cc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-19(2)17-21-18-24(34-23-7-4-3-5-8-23)13-14-25(21)33-16-6-15-32-22-11-9-20(10-12-22)26-27(30)29-28(31)35-26/h3-5,7-14,18-19,30H,6,15-17H2,1-2H3,(H,29,31)
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n/an/a 160n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
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/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound against human PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127930
PNG
(5-(4-{3-[4-(4-Cyclopentyl-phenoxy)-2-propyl-phenox...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C2CCCC2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C32H35NO5S/c1-2-6-25-21-28(38-27-15-9-23(10-16-27)22-7-3-4-8-22)17-18-29(25)37-20-5-19-36-26-13-11-24(12-14-26)30-31(34)33-32(35)39-30/h9-18,21-22,34H,2-8,19-20H2,1H3,(H,33,35)
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n/an/a 180n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
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 PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127924
PNG
(5-(4-{3-[4-(4-Methanesulfonyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(cc2)S(C)(=O)=O)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO7S2/c1-3-5-20-18-23(36-22-10-13-24(14-11-22)38(2,32)33)12-15-25(20)35-17-4-16-34-21-8-6-19(7-9-21)26-27(30)29-28(31)37-26/h6-15,18,30H,3-5,16-17H2,1-2H3,(H,29,31)
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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 PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127928
PNG
(5-{4-[3-(2-Isobutyl-4-phenoxy-phenoxy)-propoxy]-ph...)
Show SMILES CC(C)Cc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-19(2)17-21-18-24(34-23-7-4-3-5-8-23)13-14-25(21)33-16-6-15-32-22-11-9-20(10-12-22)26-27(30)29-28(31)35-26/h3-5,7-14,18-19,30H,6,15-17H2,1-2H3,(H,29,31)
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n/an/a 340n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127926
PNG
(5-{3-Chloro-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1Cl)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-7-18-16-21(34-20-8-4-3-5-9-20)11-13-23(18)32-14-6-15-33-24-12-10-19(17-22(24)28)25-26(30)29-27(31)35-25/h3-5,8-13,16-17,30H,2,6-7,14-15H2,1H3,(H,29,31)
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n/an/a 430n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR alpha-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127921
PNG
(5-(4-{3-[4-(4-Methoxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-5-20-18-24(35-23-12-10-21(32-2)11-13-23)14-15-25(20)34-17-4-16-33-22-8-6-19(7-9-22)26-27(30)29-28(31)36-26/h6-15,18,30H,3-5,16-17H2,1-2H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR delta-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127928
PNG
(5-{4-[3-(2-Isobutyl-4-phenoxy-phenoxy)-propoxy]-ph...)
Show SMILES CC(C)Cc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-19(2)17-21-18-24(34-23-7-4-3-5-8-23)13-14-25(21)33-16-6-15-32-22-11-9-20(10-12-22)26-27(30)29-28(31)35-26/h3-5,7-14,18-19,30H,6,15-17H2,1-2H3,(H,29,31)
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n/an/a 480n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127933
PNG
(5-(4-(3-(4-(4-fluorophenoxy)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-4-19-17-23(34-22-11-7-20(28)8-12-22)13-14-24(19)33-16-3-15-32-21-9-5-18(6-10-21)25-26(30)29-27(31)35-25/h5-14,17,30H,2-4,15-16H2,1H3,(H,29,31)
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n/an/a 820n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127926
PNG
(5-{3-Chloro-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1Cl)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-7-18-16-21(34-20-8-4-3-5-9-20)11-13-23(18)32-14-6-15-33-24-12-10-19(17-22(24)28)25-26(30)29-27(31)35-25/h3-5,8-13,16-17,30H,2,6-7,14-15H2,1H3,(H,29,31)
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n/an/a 880n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127934
PNG
(5-{3-Methoxy-4-[3-(4-phenoxy-2-propyl-phenoxy)-pro...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1OC)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-8-19-17-22(35-21-9-5-4-6-10-21)12-14-23(19)33-15-7-16-34-24-13-11-20(18-25(24)32-2)26-27(30)29-28(31)36-26/h4-6,9-14,17-18,30H,3,7-8,15-16H2,1-2H3,(H,29,31)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127923
PNG
(5-{4-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-3-pr...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1CCC)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C30H33NO5S/c1-3-9-21-19-23(28-29(32)31-30(33)37-28)13-15-26(21)34-17-8-18-35-27-16-14-25(20-22(27)10-4-2)36-24-11-6-5-7-12-24/h5-7,11-16,19-20,32H,3-4,8-10,17-18H2,1-2H3,(H,31,33)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127929
PNG
(5-(4-{3-[2-Propyl-4-(4-trifluoromethyl-phenoxy)-ph...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C(F)(F)F)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H26F3NO5S/c1-2-4-19-17-23(37-22-11-7-20(8-12-22)28(29,30)31)13-14-24(19)36-16-3-15-35-21-9-5-18(6-10-21)25-26(33)32-27(34)38-25/h5-14,17,33H,2-4,15-16H2,1H3,(H,32,34)
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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 PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127919
PNG
(CHEMBL53688 | N-[4-(4-{3-[4-(2,4-Dioxo-thiazolidin...)
Show SMILES CCCc1cc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H30N2O7S2/c1-3-5-20-18-24(37-23-12-8-21(9-13-23)30-39(2,33)34)14-15-25(20)36-17-4-16-35-22-10-6-19(7-11-22)26-27(31)29-28(32)38-26/h6-15,18,30-31H,3-5,16-17H2,1-2H3,(H,29,32)
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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 PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127917
PNG
(5-{3-Fluoro-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1F)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-7-18-16-21(34-20-8-4-3-5-9-20)11-13-23(18)32-14-6-15-33-24-12-10-19(17-22(24)28)25-26(30)29-27(31)35-25/h3-5,8-13,16-17,30H,2,6-7,14-15H2,1H3,(H,29,31)
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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 PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127920
PNG
(5-(4-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-4-19-17-23(34-22-11-7-20(28)8-12-22)13-14-24(19)33-16-3-15-32-21-9-5-18(6-10-21)25-26(30)29-27(31)35-25/h5-14,17,30H,2-4,15-16H2,1H3,(H,29,31)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127927
PNG
(5-{4-[3-(2-Propyl-4-p-tolyloxy-phenoxy)-propoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(C)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-3-5-21-18-24(34-23-10-6-19(2)7-11-23)14-15-25(21)33-17-4-16-32-22-12-8-20(9-13-22)26-27(30)29-28(31)35-26/h6-15,18,30H,3-5,16-17H2,1-2H3,(H,29,31)
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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 PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127922
PNG
(5-{4-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-pheny...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-2-8-21-19-24(34-23-9-4-3-5-10-23)15-16-25(21)33-18-7-6-17-32-22-13-11-20(12-14-22)26-27(30)29-28(31)35-26/h3-5,9-16,19,30H,2,6-8,17-18H2,1H3,(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 PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127918
PNG
(CHEMBL50984 | N-[4-(4-{3-[4-(2,4-Dioxo-thiazolidin...)
Show SMILES CCCc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C34H34N2O7S2/c1-3-5-25-22-29(43-28-14-10-26(11-15-28)36-45(39,40)30-17-6-23(2)7-18-30)16-19-31(25)42-21-4-20-41-27-12-8-24(9-13-27)32-33(37)35-34(38)44-32/h6-19,22,36-37H,3-5,20-21H2,1-2H3,(H,35,38)
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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 PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127925
PNG
(5-{3-Methyl-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1C)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-3-8-20-18-23(34-22-9-5-4-6-10-22)12-14-25(20)33-16-7-15-32-24-13-11-21(17-19(24)2)26-27(30)29-28(31)35-26/h4-6,9-14,17-18,30H,3,7-8,15-16H2,1-2H3,(H,29,31)
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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 PPAR alpha (peroxisome proliferator-activated alpha receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127925
PNG
(5-{3-Methyl-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1C)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-3-8-20-18-23(34-22-9-5-4-6-10-22)12-14-25(20)33-16-7-15-32-24-13-11-21(17-19(24)2)26-27(30)29-28(31)35-26/h4-6,9-14,17-18,30H,3,7-8,15-16H2,1-2H3,(H,29,31)
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n/an/a 6.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127934
PNG
(5-{3-Methoxy-4-[3-(4-phenoxy-2-propyl-phenoxy)-pro...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1OC)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-8-19-17-22(35-21-9-5-4-6-10-21)12-14-23(19)33-15-7-16-34-24-13-11-20(18-25(24)32-2)26-27(30)29-28(31)36-26/h4-6,9-14,17-18,30H,3,7-8,15-16H2,1-2H3,(H,29,31)
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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 PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
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 agonist activity tested for transactivation in human PPAR gamma-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127922
PNG
(5-{4-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-pheny...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-2-8-21-19-24(34-23-9-4-3-5-10-23)15-16-25(21)33-18-7-6-17-32-22-13-11-20(12-14-22)26-27(30)29-28(31)35-26/h3-5,9-16,19,30H,2,6-8,17-18H2,1H3,(H,29,31)
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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 PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127936
PNG
(5-{4-[3-(4-Phenoxy-phenoxy)-propoxy]-phenyl}-thiaz...)
Show SMILES Oc1[nH]c(=O)sc1-c1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H21NO5S/c26-23-22(31-24(27)25-23)17-7-9-18(10-8-17)28-15-4-16-29-19-11-13-21(14-12-19)30-20-5-2-1-3-6-20/h1-3,5-14,26H,4,15-16H2,(H,25,27)
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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 PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127929
PNG
(5-(4-{3-[2-Propyl-4-(4-trifluoromethyl-phenoxy)-ph...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C(F)(F)F)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H26F3NO5S/c1-2-4-19-17-23(37-22-11-7-20(8-12-22)28(29,30)31)13-14-24(19)36-16-3-15-35-21-9-5-18(6-10-21)25-26(33)32-27(34)38-25/h5-14,17,33H,2-4,15-16H2,1H3,(H,32,34)
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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 PPAR alpha (peroxisome proliferator-activated alpha receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127920
PNG
(5-(4-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-4-19-17-23(34-22-11-7-20(28)8-12-22)13-14-24(19)33-16-3-15-32-21-9-5-18(6-10-21)25-26(30)29-27(31)35-25/h5-14,17,30H,2-4,15-16H2,1H3,(H,29,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR alpha-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127936
PNG
(5-{4-[3-(4-Phenoxy-phenoxy)-propoxy]-phenyl}-thiaz...)
Show SMILES Oc1[nH]c(=O)sc1-c1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H21NO5S/c26-23-22(31-24(27)25-23)17-7-9-18(10-8-17)28-15-4-16-29-19-11-13-21(14-12-19)30-20-5-2-1-3-6-20/h1-3,5-14,26H,4,15-16H2,(H,25,27)
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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 PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127933
PNG
(5-(4-(3-(4-(4-fluorophenoxy)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-4-19-17-23(34-22-11-7-20(28)8-12-22)13-14-24(19)33-16-3-15-32-21-9-5-18(6-10-21)25-26(30)29-27(31)35-25/h5-14,17,30H,2-4,15-16H2,1H3,(H,29,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
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/a 5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR alpha-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127934
PNG
(5-{3-Methoxy-4-[3-(4-phenoxy-2-propyl-phenoxy)-pro...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1OC)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-8-19-17-22(35-21-9-5-4-6-10-21)12-14-23(19)33-15-7-16-34-24-13-11-20(18-25(24)32-2)26-27(30)29-28(31)36-26/h4-6,9-14,17-18,30H,3,7-8,15-16H2,1-2H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR alpha-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127926
PNG
(5-{3-Chloro-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1Cl)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-7-18-16-21(34-20-8-4-3-5-9-20)11-13-23(18)32-14-6-15-33-24-12-10-19(17-22(24)28)25-26(30)29-27(31)35-25/h3-5,8-13,16-17,30H,2,6-7,14-15H2,1H3,(H,29,31)
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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 PPAR alpha (peroxisome proliferator-activated alpha receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127920
PNG
(5-(4-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-4-19-17-23(34-22-11-7-20(28)8-12-22)13-14-24(19)33-16-3-15-32-21-9-5-18(6-10-21)25-26(30)29-27(31)35-25/h5-14,17,30H,2-4,15-16H2,1H3,(H,29,31)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127924
PNG
(5-(4-{3-[4-(4-Methanesulfonyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(cc2)S(C)(=O)=O)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO7S2/c1-3-5-20-18-23(36-22-10-13-24(14-11-22)38(2,32)33)12-15-25(20)35-17-4-16-34-21-8-6-19(7-9-21)26-27(30)29-28(31)37-26/h6-15,18,30H,3-5,16-17H2,1-2H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127936
PNG
(5-{4-[3-(4-Phenoxy-phenoxy)-propoxy]-phenyl}-thiaz...)
Show SMILES Oc1[nH]c(=O)sc1-c1ccc(OCCCOc2ccc(Oc3ccccc3)cc2)cc1
Show InChI InChI=1S/C24H21NO5S/c26-23-22(31-24(27)25-23)17-7-9-18(10-8-17)28-15-4-16-29-19-11-13-21(14-12-19)30-20-5-2-1-3-6-20/h1-3,5-14,26H,4,15-16H2,(H,25,27)
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Merck Research Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127935
PNG
(5-(4-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(cc2)-c2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C33H31NO5S/c1-2-7-26-22-29(39-28-16-10-24(11-17-28)23-8-4-3-5-9-23)18-19-30(26)38-21-6-20-37-27-14-12-25(13-15-27)31-32(35)34-33(36)40-31/h3-5,8-19,22,35H,2,6-7,20-21H2,1H3,(H,34,36)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127932
PNG
(5-(4-{3-[4-(4-Isobutyl-phenoxy)-2-propyl-phenoxy]-...)
Show SMILES CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C31H35NO5S/c1-4-6-24-20-27(37-26-11-7-22(8-12-26)19-21(2)3)15-16-28(24)36-18-5-17-35-25-13-9-23(10-14-25)29-30(33)32-31(34)38-29/h7-16,20-21,33H,4-6,17-19H2,1-3H3,(H,32,34)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127919
PNG
(CHEMBL53688 | N-[4-(4-{3-[4-(2,4-Dioxo-thiazolidin...)
Show SMILES CCCc1cc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H30N2O7S2/c1-3-5-20-18-24(37-23-12-8-21(9-13-23)30-39(2,33)34)14-15-25(20)36-17-4-16-35-22-10-6-19(7-11-22)26-27(31)29-28(32)38-26/h6-15,18,30-31H,3-5,16-17H2,1-2H3,(H,29,32)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127924
PNG
(5-(4-{3-[4-(4-Methanesulfonyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(cc2)S(C)(=O)=O)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO7S2/c1-3-5-20-18-23(36-22-10-13-24(14-11-22)38(2,32)33)12-15-25(20)35-17-4-16-34-21-8-6-19(7-9-21)26-27(30)29-28(31)37-26/h6-15,18,30H,3-5,16-17H2,1-2H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR alpha-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127927
PNG
(5-{4-[3-(2-Propyl-4-p-tolyloxy-phenoxy)-propoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(C)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-3-5-21-18-24(34-23-10-6-19(2)7-11-23)14-15-25(21)33-17-4-16-32-22-12-8-20(9-13-22)26-27(30)29-28(31)35-26/h6-15,18,30H,3-5,16-17H2,1-2H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127921
PNG
(5-(4-{3-[4-(4-Methoxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-5-20-18-24(35-23-12-10-21(32-2)11-13-23)14-15-25(20)34-17-4-16-33-22-8-6-19(7-9-22)26-27(30)29-28(31)36-26/h6-15,18,30H,3-5,16-17H2,1-2H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127930
PNG
(5-(4-{3-[4-(4-Cyclopentyl-phenoxy)-2-propyl-phenox...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C2CCCC2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C32H35NO5S/c1-2-6-25-21-28(38-27-15-9-23(10-16-27)22-7-3-4-8-22)17-18-29(25)37-20-5-19-36-26-13-11-24(12-14-26)30-31(34)33-32(35)39-30/h9-18,21-22,34H,2-8,19-20H2,1H3,(H,33,35)
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Merck Research Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127930
PNG
(5-(4-{3-[4-(4-Cyclopentyl-phenoxy)-2-propyl-phenox...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C2CCCC2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C32H35NO5S/c1-2-6-25-21-28(38-27-15-9-23(10-16-27)22-7-3-4-8-22)17-18-29(25)37-20-5-19-36-26-13-11-24(12-14-26)30-31(34)33-32(35)39-30/h9-18,21-22,34H,2-8,19-20H2,1H3,(H,33,35)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127932
PNG
(5-(4-{3-[4-(4-Isobutyl-phenoxy)-2-propyl-phenoxy]-...)
Show SMILES CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C31H35NO5S/c1-4-6-24-20-27(37-26-11-7-22(8-12-26)19-21(2)3)15-16-28(24)36-18-5-17-35-25-13-9-23(10-14-25)29-30(33)32-31(34)38-29/h7-16,20-21,33H,4-6,17-19H2,1-3H3,(H,32,34)
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Merck Research Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127921
PNG
(5-(4-{3-[4-(4-Methoxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-5-20-18-24(35-23-12-10-21(32-2)11-13-23)14-15-25(20)34-17-4-16-33-22-8-6-19(7-9-22)26-27(30)29-28(31)36-26/h6-15,18,30H,3-5,16-17H2,1-2H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127922
PNG
(5-{4-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-pheny...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-2-8-21-19-24(34-23-9-4-3-5-10-23)15-16-25(21)33-18-7-6-17-32-22-13-11-20(12-14-22)26-27(30)29-28(31)35-26/h3-5,9-16,19,30H,2,6-8,17-18H2,1H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR delta-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127918
PNG
(CHEMBL50984 | N-[4-(4-{3-[4-(2,4-Dioxo-thiazolidin...)
Show SMILES CCCc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C34H34N2O7S2/c1-3-5-25-22-29(43-28-14-10-26(11-15-28)36-45(39,40)30-17-6-23(2)7-18-30)16-19-31(25)42-21-4-20-41-27-12-8-24(9-13-27)32-33(37)35-34(38)44-32/h6-19,22,36-37H,3-5,20-21H2,1-2H3,(H,35,38)
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Merck Research Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127929
PNG
(5-(4-{3-[2-Propyl-4-(4-trifluoromethyl-phenoxy)-ph...)
Show SMILES CCCc1cc(Oc2ccc(cc2)C(F)(F)F)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H26F3NO5S/c1-2-4-19-17-23(37-22-11-7-20(8-12-22)28(29,30)31)13-14-24(19)36-16-3-15-35-21-9-5-18(6-10-21)25-26(33)32-27(34)38-25/h5-14,17,33H,2-4,15-16H2,1H3,(H,32,34)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
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 agonist activity tested for transactivation in human PPAR gamma-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127925
PNG
(5-{3-Methyl-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1C)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-3-8-20-18-23(34-22-9-5-4-6-10-22)12-14-25(20)33-16-7-15-32-24-13-11-21(17-19(24)2)26-27(30)29-28(31)35-26/h4-6,9-14,17-18,30H,3,7-8,15-16H2,1-2H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127918
PNG
(CHEMBL50984 | N-[4-(4-{3-[4-(2,4-Dioxo-thiazolidin...)
Show SMILES CCCc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C34H34N2O7S2/c1-3-5-25-22-29(43-28-14-10-26(11-15-28)36-45(39,40)30-17-6-23(2)7-18-30)16-19-31(25)42-21-4-20-41-27-12-8-24(9-13-27)32-33(37)35-34(38)44-32/h6-19,22,36-37H,3-5,20-21H2,1-2H3,(H,35,38)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


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

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127935
PNG
(5-(4-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(cc2)-c2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C33H31NO5S/c1-2-7-26-22-29(39-28-16-10-24(11-17-28)23-8-4-3-5-9-23)18-19-30(26)38-21-6-20-37-27-14-12-25(13-15-27)31-32(35)34-33(36)40-31/h3-5,8-19,22,35H,2,6-7,20-21H2,1H3,(H,34,36)
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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 PPAR alpha (peroxisome proliferator-activated alpha receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127919
PNG
(CHEMBL53688 | N-[4-(4-{3-[4-(2,4-Dioxo-thiazolidin...)
Show SMILES CCCc1cc(Oc2ccc(NS(C)(=O)=O)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H30N2O7S2/c1-3-5-20-18-24(37-23-12-8-21(9-13-23)30-39(2,33)34)14-15-25(20)36-17-4-16-35-22-10-6-19(7-11-22)26-27(31)29-28(32)38-26/h6-15,18,30-31H,3-5,16-17H2,1-2H3,(H,29,32)
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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 PPAR alpha (peroxisome proliferator-activated alpha receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127923
PNG
(5-{4-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-3-pr...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1CCC)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C30H33NO5S/c1-3-9-21-19-23(28-29(32)31-30(33)37-28)13-15-26(21)34-17-8-18-35-27-16-14-25(20-22(27)10-4-2)36-24-11-6-5-7-12-24/h5-7,11-16,19-20,32H,3-4,8-10,17-18H2,1-2H3,(H,31,33)
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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 PPAR alpha (peroxisome proliferator-activated alpha receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127927
PNG
(5-{4-[3-(2-Propyl-4-p-tolyloxy-phenoxy)-propoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(C)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-3-5-21-18-24(34-23-10-6-19(2)7-11-23)14-15-25(21)33-17-4-16-32-22-12-8-20(9-13-22)26-27(30)29-28(31)35-26/h6-15,18,30H,3-5,16-17H2,1-2H3,(H,29,31)
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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 PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
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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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 PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127922
PNG
(5-{4-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-pheny...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-2-8-21-19-24(34-23-9-4-3-5-10-23)15-16-25(21)33-18-7-6-17-32-22-13-11-20(12-14-22)26-27(30)29-28(31)35-26/h3-5,9-16,19,30H,2,6-8,17-18H2,1H3,(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 binding affinity against human PPAR alpha (peroxisome proliferator-activated alpha receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127921
PNG
(5-(4-{3-[4-(4-Methoxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-5-20-18-24(35-23-12-10-21(32-2)11-13-23)14-15-25(20)34-17-4-16-33-22-8-6-19(7-9-22)26-27(30)29-28(31)36-26/h6-15,18,30H,3-5,16-17H2,1-2H3,(H,29,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127924
PNG
(5-(4-{3-[4-(4-Methanesulfonyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(cc2)S(C)(=O)=O)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO7S2/c1-3-5-20-18-23(36-22-10-13-24(14-11-22)38(2,32)33)12-15-25(20)35-17-4-16-34-21-8-6-19(7-9-21)26-27(30)29-28(31)37-26/h6-15,18,30H,3-5,16-17H2,1-2H3,(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 agonist activity tested for transactivation in human PPAR delta-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
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 agonist activity tested for transactivation in human PPAR gamma-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127923
PNG
(5-{4-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-3-pr...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1CCC)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C30H33NO5S/c1-3-9-21-19-23(28-29(32)31-30(33)37-28)13-15-26(21)34-17-8-18-35-27-16-14-25(20-22(27)10-4-2)36-24-11-6-5-7-12-24/h5-7,11-16,19-20,32H,3-4,8-10,17-18H2,1-2H3,(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 binding affinity against human PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127925
PNG
(5-{3-Methyl-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1C)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-3-8-20-18-23(34-22-9-5-4-6-10-22)12-14-25(20)33-16-7-15-32-24-13-11-21(17-19(24)2)26-27(30)29-28(31)35-26/h4-6,9-14,17-18,30H,3,7-8,15-16H2,1-2H3,(H,29,31)
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n/an/an/an/a 100n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR gamma-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127932
PNG
(5-(4-{3-[4-(4-Isobutyl-phenoxy)-2-propyl-phenoxy]-...)
Show SMILES CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C31H35NO5S/c1-4-6-24-20-27(37-26-11-7-22(8-12-26)19-21(2)3)15-16-28(24)36-18-5-17-35-25-13-9-23(10-14-25)29-30(33)32-31(34)38-29/h7-16,20-21,33H,4-6,17-19H2,1-3H3,(H,32,34)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR delta-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127918
PNG
(CHEMBL50984 | N-[4-(4-{3-[4-(2,4-Dioxo-thiazolidin...)
Show SMILES CCCc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C34H34N2O7S2/c1-3-5-25-22-29(43-28-14-10-26(11-15-28)36-45(39,40)30-17-6-23(2)7-18-30)16-19-31(25)42-21-4-20-41-27-12-8-24(9-13-27)32-33(37)35-34(38)44-32/h6-19,22,36-37H,3-5,20-21H2,1-2H3,(H,35,38)
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n/an/an/an/a 500n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR gamma-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127935
PNG
(5-(4-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(cc2)-c2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C33H31NO5S/c1-2-7-26-22-29(39-28-16-10-24(11-17-28)23-8-4-3-5-9-23)18-19-30(26)38-21-6-20-37-27-14-12-25(13-15-27)31-32(35)34-33(36)40-31/h3-5,8-19,22,35H,2,6-7,20-21H2,1H3,(H,34,36)
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n/an/an/an/a 20n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR gamma-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127924
PNG
(5-(4-{3-[4-(4-Methanesulfonyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(cc2)S(C)(=O)=O)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO7S2/c1-3-5-20-18-23(36-22-10-13-24(14-11-22)38(2,32)33)12-15-25(20)35-17-4-16-34-21-8-6-19(7-9-21)26-27(30)29-28(31)37-26/h6-15,18,30H,3-5,16-17H2,1-2H3,(H,29,31)
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n/an/an/an/a 120n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR delta-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127933
PNG
(5-(4-(3-(4-(4-fluorophenoxy)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-4-19-17-23(34-22-11-7-20(28)8-12-22)13-14-24(19)33-16-3-15-32-21-9-5-18(6-10-21)25-26(30)29-27(31)35-25/h5-14,17,30H,2-4,15-16H2,1H3,(H,29,31)
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n/an/an/an/a 60n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR gamma-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127918
PNG
(CHEMBL50984 | N-[4-(4-{3-[4-(2,4-Dioxo-thiazolidin...)
Show SMILES CCCc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C34H34N2O7S2/c1-3-5-25-22-29(43-28-14-10-26(11-15-28)36-45(39,40)30-17-6-23(2)7-18-30)16-19-31(25)42-21-4-20-41-27-12-8-24(9-13-27)32-33(37)35-34(38)44-32/h6-19,22,36-37H,3-5,20-21H2,1-2H3,(H,35,38)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity against human PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


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

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR delta-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127934
PNG
(5-{3-Methoxy-4-[3-(4-phenoxy-2-propyl-phenoxy)-pro...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1OC)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-8-19-17-22(35-21-9-5-4-6-10-21)12-14-23(19)33-15-7-16-34-24-13-11-20(18-25(24)32-2)26-27(30)29-28(31)36-26/h4-6,9-14,17-18,30H,3,7-8,15-16H2,1-2H3,(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 agonist activity tested for transactivation in human PPAR alpha-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127918
PNG
(CHEMBL50984 | N-[4-(4-{3-[4-(2,4-Dioxo-thiazolidin...)
Show SMILES CCCc1cc(Oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C34H34N2O7S2/c1-3-5-25-22-29(43-28-14-10-26(11-15-28)36-45(39,40)30-17-6-23(2)7-18-30)16-19-31(25)42-21-4-20-41-27-12-8-24(9-13-27)32-33(37)35-34(38)44-32/h6-19,22,36-37H,3-5,20-21H2,1-2H3,(H,35,38)
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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 agonist activity tested for transactivation in human PPAR delta-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127922
PNG
(5-{4-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-pheny...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-2-8-21-19-24(34-23-9-4-3-5-10-23)15-16-25(21)33-18-7-6-17-32-22-13-11-20(12-14-22)26-27(30)29-28(31)35-26/h3-5,9-16,19,30H,2,6-8,17-18H2,1H3,(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 agonist activity tested for transactivation in human PPAR alpha-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
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 agonist activity tested for transactivation in human PPAR delta-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127923
PNG
(5-{4-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-3-pr...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1CCC)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C30H33NO5S/c1-3-9-21-19-23(28-29(32)31-30(33)37-28)13-15-26(21)34-17-8-18-35-27-16-14-25(20-22(27)10-4-2)36-24-11-6-5-7-12-24/h5-7,11-16,19-20,32H,3-4,8-10,17-18H2,1-2H3,(H,31,33)
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n/an/an/an/a 200n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR gamma-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127922
PNG
(5-{4-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-pheny...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-2-8-21-19-24(34-23-9-4-3-5-10-23)15-16-25(21)33-18-7-6-17-32-22-13-11-20(12-14-22)26-27(30)29-28(31)35-26/h3-5,9-16,19,30H,2,6-8,17-18H2,1H3,(H,29,31)
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n/an/an/an/a 300n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR alpha-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127935
PNG
(5-(4-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(cc2)-c2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C33H31NO5S/c1-2-7-26-22-29(39-28-16-10-24(11-17-28)23-8-4-3-5-9-23)18-19-30(26)38-21-6-20-37-27-14-12-25(13-15-27)31-32(35)34-33(36)40-31/h3-5,8-19,22,35H,2,6-7,20-21H2,1H3,(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 agonist activity tested for transactivation in human PPAR alpha-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127921
PNG
(5-(4-{3-[4-(4-Methoxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-5-20-18-24(35-23-12-10-21(32-2)11-13-23)14-15-25(20)34-17-4-16-33-22-8-6-19(7-9-22)26-27(30)29-28(31)36-26/h6-15,18,30H,3-5,16-17H2,1-2H3,(H,29,31)
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n/an/an/an/a 30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR gamma-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
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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n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


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

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
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 agonist activity tested for transactivation in human PPAR delta-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127935
PNG
(5-(4-{3-[4-(Biphenyl-4-yloxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(cc2)-c2ccccc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C33H31NO5S/c1-2-7-26-22-29(39-28-16-10-24(11-17-28)23-8-4-3-5-9-23)18-19-30(26)38-21-6-20-37-27-14-12-25(13-15-27)31-32(35)34-33(36)40-31/h3-5,8-19,22,35H,2,6-7,20-21H2,1H3,(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 agonist activity tested for transactivation in human PPAR delta-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127926
PNG
(5-{3-Chloro-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1Cl)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-7-18-16-21(34-20-8-4-3-5-9-20)11-13-23(18)32-14-6-15-33-24-12-10-19(17-22(24)28)25-26(30)29-27(31)35-25/h3-5,8-13,16-17,30H,2,6-7,14-15H2,1H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR gamma-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127925
PNG
(5-{3-Methyl-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1C)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-3-8-20-18-23(34-22-9-5-4-6-10-22)12-14-25(20)33-16-7-15-32-24-13-11-21(17-19(24)2)26-27(30)29-28(31)35-26/h4-6,9-14,17-18,30H,3,7-8,15-16H2,1-2H3,(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 binding affinity against human PPAR delta (peroxisome proliferator-activated delta receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127926
PNG
(5-{3-Chloro-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1Cl)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-7-18-16-21(34-20-8-4-3-5-9-20)11-13-23(18)32-14-6-15-33-24-12-10-19(17-22(24)28)25-26(30)29-27(31)35-25/h3-5,8-13,16-17,30H,2,6-7,14-15H2,1H3,(H,29,31)
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n/an/an/an/a 700n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR gamma-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127923
PNG
(5-{4-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-3-pr...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1CCC)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C30H33NO5S/c1-3-9-21-19-23(28-29(32)31-30(33)37-28)13-15-26(21)34-17-8-18-35-27-16-14-25(20-22(27)10-4-2)36-24-11-6-5-7-12-24/h5-7,11-16,19-20,32H,3-4,8-10,17-18H2,1-2H3,(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 agonist activity tested for transactivation in human PPAR delta-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
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 agonist activity tested for transactivation in human PPAR alpha-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127921
PNG
(5-(4-{3-[4-(4-Methoxy-phenoxy)-2-propyl-phenoxy]-p...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-5-20-18-24(35-23-12-10-21(32-2)11-13-23)14-15-25(20)34-17-4-16-33-22-8-6-19(7-9-22)26-27(30)29-28(31)36-26/h6-15,18,30H,3-5,16-17H2,1-2H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR delta-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127926
PNG
(5-{3-Chloro-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1Cl)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-7-18-16-21(34-20-8-4-3-5-9-20)11-13-23(18)32-14-6-15-33-24-12-10-19(17-22(24)28)25-26(30)29-27(31)35-25/h3-5,8-13,16-17,30H,2,6-7,14-15H2,1H3,(H,29,31)
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR delta-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127932
PNG
(5-(4-{3-[4-(4-Isobutyl-phenoxy)-2-propyl-phenoxy]-...)
Show SMILES CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C31H35NO5S/c1-4-6-24-20-27(37-26-11-7-22(8-12-26)19-21(2)3)15-16-28(24)36-18-5-17-35-25-13-9-23(10-14-25)29-30(33)32-31(34)38-29/h7-16,20-21,33H,4-6,17-19H2,1-3H3,(H,32,34)
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n/an/an/an/a 30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR gamma-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127917
PNG
(5-{3-Fluoro-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1F)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-7-18-16-21(34-20-8-4-3-5-9-20)11-13-23(18)32-14-6-15-33-24-12-10-19(17-22(24)28)25-26(30)29-27(31)35-25/h3-5,8-13,16-17,30H,2,6-7,14-15H2,1H3,(H,29,31)
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n/an/an/an/a 300n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR gamma-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
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 agonist activity tested for transactivation in human PPAR alpha-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127920
PNG
(5-(4-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-4-19-17-23(34-22-11-7-20(28)8-12-22)13-14-24(19)33-16-3-15-32-21-9-5-18(6-10-21)25-26(30)29-27(31)35-25/h5-14,17,30H,2-4,15-16H2,1H3,(H,29,31)
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n/an/an/an/a 80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR alpha-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127924
PNG
(5-(4-{3-[4-(4-Methanesulfonyl-phenoxy)-2-propyl-ph...)
Show SMILES CCCc1cc(Oc2ccc(cc2)S(C)(=O)=O)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO7S2/c1-3-5-20-18-23(36-22-10-13-24(14-11-22)38(2,32)33)12-15-25(20)35-17-4-16-34-21-8-6-19(7-9-21)26-27(30)29-28(31)37-26/h6-15,18,30H,3-5,16-17H2,1-2H3,(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 binding affinity against human PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127917
PNG
(5-{3-Fluoro-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1F)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-7-18-16-21(34-20-8-4-3-5-9-20)11-13-23(18)32-14-6-15-33-24-12-10-19(17-22(24)28)25-26(30)29-27(31)35-25/h3-5,8-13,16-17,30H,2,6-7,14-15H2,1H3,(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 binding affinity against human PPAR gamma (peroxisome proliferator-activated gamma receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127917
PNG
(5-{3-Fluoro-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1F)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-7-18-16-21(34-20-8-4-3-5-9-20)11-13-23(18)32-14-6-15-33-24-12-10-19(17-22(24)28)25-26(30)29-27(31)35-25/h3-5,8-13,16-17,30H,2,6-7,14-15H2,1H3,(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 agonist activity tested for transactivation in human PPAR alpha-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127925
PNG
(5-{3-Methyl-4-[3-(4-phenoxy-2-propyl-phenoxy)-prop...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1C)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO5S/c1-3-8-20-18-23(34-22-9-5-4-6-10-22)12-14-25(20)33-16-7-15-32-24-13-11-21(17-19(24)2)26-27(30)29-28(31)35-26/h4-6,9-14,17-18,30H,3,7-8,15-16H2,1-2H3,(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 agonist activity tested for transactivation in human PPAR delta-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127932
PNG
(5-(4-{3-[4-(4-Isobutyl-phenoxy)-2-propyl-phenoxy]-...)
Show SMILES CCCc1cc(Oc2ccc(CC(C)C)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C31H35NO5S/c1-4-6-24-20-27(37-26-11-7-22(8-12-26)19-21(2)3)15-16-28(24)36-18-5-17-35-25-13-9-23(10-14-25)29-30(33)32-31(34)38-29/h7-16,20-21,33H,4-6,17-19H2,1-3H3,(H,32,34)
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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 agonist activity tested for transactivation in human PPAR alpha-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127920
PNG
(5-(4-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-4-19-17-23(34-22-11-7-20(28)8-12-22)13-14-24(19)33-16-3-15-32-21-9-5-18(6-10-21)25-26(30)29-27(31)35-25/h5-14,17,30H,2-4,15-16H2,1H3,(H,29,31)
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n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR delta-GAL4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM50127934
PNG
(5-{3-Methoxy-4-[3-(4-phenoxy-2-propyl-phenoxy)-pro...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1OC)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-8-19-17-22(35-21-9-5-4-6-10-21)12-14-23(19)33-15-7-16-34-24-13-11-20(18-25(24)32-2)26-27(30)29-28(31)36-26/h4-6,9-14,17-18,30H,3,7-8,15-16H2,1-2H3,(H,29,31)
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n/an/an/an/a 400n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR alpha-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))		BDBM50127934
PNG
(5-{3-Methoxy-4-[3-(4-phenoxy-2-propyl-phenoxy)-pro...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc(cc1OC)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C28H29NO6S/c1-3-8-19-17-22(35-21-9-5-4-6-10-21)12-14-23(19)33-15-7-16-34-24-13-11-20(18-25(24)32-2)26-27(30)29-28(31)36-26/h4-6,9-14,17-18,30H,3,7-8,15-16H2,1-2H3,(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 binding affinity against human PPAR alpha (peroxisome proliferator-activated alpha receptor)

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127933
PNG
(5-(4-(3-(4-(4-fluorophenoxy)-2-propylphenoxy)propo...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26FNO5S/c1-2-4-19-17-23(34-22-11-7-20(28)8-12-22)13-14-24(19)33-16-3-15-32-21-9-5-18(6-10-21)25-26(30)29-27(31)35-25/h5-14,17,30H,2-4,15-16H2,1H3,(H,29,31)
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n/an/an/an/a>5.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transcriptional activation in COS cells expressing human PPAR gamma-Gal4 chimera

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Homo sapiens (Human))		BDBM50127920
PNG
(5-(4-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-pr...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1ccc(cc1)-c1sc(=O)[nH]c1O
Show InChI InChI=1S/C27H26ClNO5S/c1-2-4-19-17-23(34-22-11-7-20(28)8-12-22)13-14-24(19)33-16-3-15-32-21-9-5-18(6-10-21)25-26(30)29-27(31)35-25/h5-14,17,30H,2-4,15-16H2,1H3,(H,29,31)
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n/an/an/an/a 3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro agonist activity tested for transactivation in human PPAR gamma-Gal4 chimeric COS-1 cells

Bioorg Med Chem Lett 13: 1801-4 (2003)


BindingDB Entry DOI: 10.7270/Q2H994K2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%