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PubMed code 15163205

Compile data set for download or QSAR
Found 94 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148110
PNG
((R)-7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-m...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)/t26-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148090
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148097
PNG
(7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-ethyl...)
Show SMILES CCC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H27ClO6/c1-2-27(26(29)30)14-13-19-9-10-21(18-25(19)34-27)31-15-6-16-32-24-12-11-22(17-23(24)28)33-20-7-4-3-5-8-20/h3-5,7-12,17-18H,2,6,13-16H2,1H3,(H,29,30)
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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 for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148092
PNG
(7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-methy...)
Show SMILES CC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)
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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 for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(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 200n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human PPAR gamma receptor using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148110
PNG
((R)-7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-m...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)/t26-/m1/s1
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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 for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148090
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148094
PNG
(2-Ethyl-7-[3-(4-phenoxy-2-propyl-phenoxy)-propoxy]...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C30H34O6/c1-3-9-23-20-26(35-24-10-6-5-7-11-24)14-15-27(23)34-19-8-18-33-25-13-12-22-16-17-30(4-2,29(31)32)36-28(22)21-25/h5-7,10-15,20-21H,3-4,8-9,16-19H2,1-2H3,(H,31,32)
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n/an/a 360n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148109
PNG
(7-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-2-propy...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(CCC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C31H36O6/c1-3-9-24-21-27(36-25-10-6-5-7-11-25)14-15-28(24)35-20-8-19-34-26-13-12-23-16-18-31(17-4-2,30(32)33)37-29(23)22-26/h5-7,10-15,21-22H,3-4,8-9,16-20H2,1-2H3,(H,32,33)
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n/an/a 370n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148096
PNG
(2-Ethyl-7-[3-(2-fluoro-4-phenoxy-phenoxy)-propoxy]...)
Show SMILES CCC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3F)cc2O1)C(O)=O
Show InChI InChI=1S/C27H27FO6/c1-2-27(26(29)30)14-13-19-9-10-21(18-25(19)34-27)31-15-6-16-32-24-12-11-22(17-23(24)28)33-20-7-4-3-5-8-20/h3-5,7-12,17-18H,2,6,13-16H2,1H3,(H,29,30)
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n/an/a 370n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148107
PNG
(2-Ethyl-7-{3-[4-(4-methanesulfonyl-phenoxy)-2-prop...)
Show SMILES CCCc1cc(Oc2ccc(cc2)S(C)(=O)=O)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C31H36O8S/c1-4-7-23-20-26(38-24-10-13-27(14-11-24)40(3,34)35)12-15-28(23)37-19-6-18-36-25-9-8-22-16-17-31(5-2,30(32)33)39-29(22)21-25/h8-15,20-21H,4-7,16-19H2,1-3H3,(H,32,33)
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n/an/a 370n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human PPAR gamma receptor using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148094
PNG
(2-Ethyl-7-[3-(4-phenoxy-2-propyl-phenoxy)-propoxy]...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C30H34O6/c1-3-9-23-20-26(35-24-10-6-5-7-11-24)14-15-27(23)34-19-8-18-33-25-13-12-22-16-17-30(4-2,29(31)32)36-28(22)21-25/h5-7,10-15,20-21H,3-4,8-9,16-19H2,1-2H3,(H,31,32)
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n/an/a 440n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148105
PNG
(2-Ethyl-7-{3-[4-(4-methoxy-phenoxy)-2-propyl-pheno...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C31H36O7/c1-4-7-23-20-27(37-25-12-10-24(34-3)11-13-25)14-15-28(23)36-19-6-18-35-26-9-8-22-16-17-31(5-2,30(32)33)38-29(22)21-26/h8-15,20-21H,4-7,16-19H2,1-3H3,(H,32,33)
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n/an/a 630n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148097
PNG
(7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-ethyl...)
Show SMILES CCC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H27ClO6/c1-2-27(26(29)30)14-13-19-9-10-21(18-25(19)34-27)31-15-6-16-32-24-12-11-22(17-23(24)28)33-20-7-4-3-5-8-20/h3-5,7-12,17-18H,2,6,13-16H2,1H3,(H,29,30)
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n/an/a 690n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human PPAR gamma receptor using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148089
PNG
(2-Methyl-7-[3-(4-phenoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(C)(Oc2c1)C(O)=O
Show InChI InChI=1S/C29H32O6/c1-3-8-22-19-25(34-23-9-5-4-6-10-23)13-14-26(22)33-18-7-17-32-24-12-11-21-15-16-29(2,28(30)31)35-27(21)20-24/h4-6,9-14,19-20H,3,7-8,15-18H2,1-2H3,(H,30,31)
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n/an/a 750n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148106
PNG
(2-Ethyl-7-{3-[4-(4-fluoro-phenoxy)-2-propyl-phenox...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C30H33FO6/c1-3-6-22-19-26(36-24-11-8-23(31)9-12-24)13-14-27(22)35-18-5-17-34-25-10-7-21-15-16-30(4-2,29(32)33)37-28(21)20-25/h7-14,19-20H,3-6,15-18H2,1-2H3,(H,32,33)
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n/an/a 970n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148108
PNG
(7-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-chroman...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(Oc2c1)C(O)=O
Show InChI InChI=1S/C28H30O6/c1-2-7-21-18-24(33-22-8-4-3-5-9-22)13-15-25(21)32-17-6-16-31-23-12-10-20-11-14-26(28(29)30)34-27(20)19-23/h3-5,8-10,12-13,15,18-19,26H,2,6-7,11,14,16-17H2,1H3,(H,29,30)
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n/an/a 980n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148100
PNG
(2-tert-Butyl-7-[3-(4-phenoxy-2-propyl-phenoxy)-pro...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(CC(C)C)(Oc2c1)C(O)=O
Show InChI InChI=1S/C32H38O6/c1-4-9-25-20-28(37-26-10-6-5-7-11-26)14-15-29(25)36-19-8-18-35-27-13-12-24-16-17-32(31(33)34,22-23(2)3)38-30(24)21-27/h5-7,10-15,20-21,23H,4,8-9,16-19,22H2,1-3H3,(H,33,34)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148106
PNG
(2-Ethyl-7-{3-[4-(4-fluoro-phenoxy)-2-propyl-phenox...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C30H33FO6/c1-3-6-22-19-26(36-24-11-8-23(31)9-12-24)13-14-27(22)35-18-5-17-34-25-10-7-21-15-16-30(4-2,29(32)33)37-28(21)20-25/h7-14,19-20H,3-6,15-18H2,1-2H3,(H,32,33)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148102
PNG
(7-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-propo...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C30H33ClO6/c1-3-6-22-19-26(36-24-11-8-23(31)9-12-24)13-14-27(22)35-18-5-17-34-25-10-7-21-15-16-30(4-2,29(32)33)37-28(21)20-25/h7-14,19-20H,3-6,15-18H2,1-2H3,(H,32,33)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148098
PNG
((S)-7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-m...)
Show SMILES C[C@]1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)/t26-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human PPAR gamma receptor using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148092
PNG
(7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-methy...)
Show SMILES CC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148108
PNG
(7-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-chroman...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(Oc2c1)C(O)=O
Show InChI InChI=1S/C28H30O6/c1-2-7-21-18-24(33-22-8-4-3-5-9-22)13-15-25(21)32-17-6-16-31-23-12-10-20-11-14-26(28(29)30)34-27(20)19-23/h3-5,8-10,12-13,15,18-19,26H,2,6-7,11,14,16-17H2,1H3,(H,29,30)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148101
PNG
(2-Methyl-6-[3-(4-phenoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2OC(C)(CCc2c1)C(O)=O
Show InChI InChI=1S/C29H32O6/c1-3-8-21-20-25(34-23-9-5-4-6-10-23)12-13-26(21)33-18-7-17-32-24-11-14-27-22(19-24)15-16-29(2,35-27)28(30)31/h4-6,9-14,19-20H,3,7-8,15-18H2,1-2H3,(H,30,31)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148104
PNG
(2-Ethyl-7-[3-(4-phenoxy-phenoxy)-propoxy]-chroman-...)
Show SMILES CCC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3)cc2O1)C(O)=O
Show InChI InChI=1S/C27H28O6/c1-2-27(26(28)29)16-15-20-9-10-24(19-25(20)33-27)31-18-6-17-30-21-11-13-23(14-12-21)32-22-7-4-3-5-8-22/h3-5,7-14,19H,2,6,15-18H2,1H3,(H,28,29)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148099
PNG
(7-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-chroman-...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2CCC(Oc2c1)C(O)=O
Show InChI InChI=1S/C29H32O6/c1-2-8-22-19-25(34-23-9-4-3-5-10-23)14-16-26(22)33-18-7-6-17-32-24-13-11-21-12-15-27(29(30)31)35-28(21)20-24/h3-5,9-11,13-14,16,19-20,27H,2,6-8,12,15,17-18H2,1H3,(H,30,31)
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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 for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148089
PNG
(2-Methyl-7-[3-(4-phenoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(C)(Oc2c1)C(O)=O
Show InChI InChI=1S/C29H32O6/c1-3-8-22-19-25(34-23-9-5-4-6-10-23)13-14-26(22)33-18-7-17-32-24-12-11-21-15-16-29(2,28(30)31)35-27(21)20-24/h4-6,9-14,19-20H,3,7-8,15-18H2,1-2H3,(H,30,31)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148095
PNG
(2-Methyl-6-[4-(4-phenoxy-2-propyl-phenoxy)-butoxy]...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2OC(C)(CCc2c1)C(O)=O
Show InChI InChI=1S/C30H34O6/c1-3-9-22-21-26(35-24-10-5-4-6-11-24)13-14-27(22)34-19-8-7-18-33-25-12-15-28-23(20-25)16-17-30(2,36-28)29(31)32/h4-6,10-15,20-21H,3,7-9,16-19H2,1-2H3,(H,31,32)
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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 for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148109
PNG
(7-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-2-propy...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(CCC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C31H36O6/c1-3-9-24-21-27(36-25-10-6-5-7-11-25)14-15-28(24)35-20-8-19-34-26-13-12-23-16-18-31(17-4-2,30(32)33)37-29(23)22-26/h5-7,10-15,21-22H,3-4,8-9,16-20H2,1-2H3,(H,32,33)
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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 binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148095
PNG
(2-Methyl-6-[4-(4-phenoxy-2-propyl-phenoxy)-butoxy]...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2OC(C)(CCc2c1)C(O)=O
Show InChI InChI=1S/C30H34O6/c1-3-9-22-21-26(35-24-10-5-4-6-11-24)13-14-27(22)34-19-8-7-18-33-25-12-15-28-23(20-25)16-17-30(2,36-28)29(31)32/h4-6,10-15,20-21H,3,7-9,16-19H2,1-2H3,(H,31,32)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148103
PNG
(6-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-chroman...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2OC(CCc2c1)C(O)=O
Show InChI InChI=1S/C28H30O6/c1-2-7-20-19-24(33-22-8-4-3-5-9-22)12-14-25(20)32-17-6-16-31-23-11-15-26-21(18-23)10-13-27(34-26)28(29)30/h3-5,8-9,11-12,14-15,18-19,27H,2,6-7,10,13,16-17H2,1H3,(H,29,30)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148091
PNG
(6-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-chroman-...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2OC(CCc2c1)C(O)=O
Show InChI InChI=1S/C29H32O6/c1-2-8-21-20-25(34-23-9-4-3-5-10-23)13-15-26(21)33-18-7-6-17-32-24-12-16-27-22(19-24)11-14-28(35-27)29(30)31/h3-5,9-10,12-13,15-16,19-20,28H,2,6-8,11,14,17-18H2,1H3,(H,30,31)
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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 for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148100
PNG
(2-tert-Butyl-7-[3-(4-phenoxy-2-propyl-phenoxy)-pro...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(CC(C)C)(Oc2c1)C(O)=O
Show InChI InChI=1S/C32H38O6/c1-4-9-25-20-28(37-26-10-6-5-7-11-26)14-15-29(25)36-19-8-18-35-27-13-12-24-16-17-32(31(33)34,22-23(2)3)38-30(24)21-27/h5-7,10-15,20-21,23H,4,8-9,16-19,22H2,1-3H3,(H,33,34)
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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 for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148101
PNG
(2-Methyl-6-[3-(4-phenoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2OC(C)(CCc2c1)C(O)=O
Show InChI InChI=1S/C29H32O6/c1-3-8-21-20-25(34-23-9-5-4-6-10-23)12-13-26(21)33-18-7-17-32-24-11-14-27-22(19-24)15-16-29(2,35-27)28(30)31/h4-6,9-14,19-20H,3,7-8,15-18H2,1-2H3,(H,30,31)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148102
PNG
(7-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-propo...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C30H33ClO6/c1-3-6-22-19-26(36-24-11-8-23(31)9-12-24)13-14-27(22)35-18-5-17-34-25-10-7-21-15-16-30(4-2,29(32)33)37-28(21)20-25/h7-14,19-20H,3-6,15-18H2,1-2H3,(H,32,33)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148111
PNG
((S)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m0/s1
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n/an/a 4.40E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148096
PNG
(2-Ethyl-7-[3-(2-fluoro-4-phenoxy-phenoxy)-propoxy]...)
Show SMILES CCC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3F)cc2O1)C(O)=O
Show InChI InChI=1S/C27H27FO6/c1-2-27(26(29)30)14-13-19-9-10-21(18-25(19)34-27)31-15-6-16-32-24-12-11-22(17-23(24)28)33-20-7-4-3-5-8-20/h3-5,7-12,17-18H,2,6,13-16H2,1H3,(H,29,30)
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n/an/a 4.70E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148093
PNG
(2-Methyl-7-[4-(4-phenoxy-2-propyl-phenoxy)-butoxy]...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2CCC(C)(Oc2c1)C(O)=O
Show InChI InChI=1S/C30H34O6/c1-3-9-23-20-26(35-24-10-5-4-6-11-24)14-15-27(23)34-19-8-7-18-33-25-13-12-22-16-17-30(2,29(31)32)36-28(22)21-25/h4-6,10-15,20-21H,3,7-9,16-19H2,1-2H3,(H,31,32)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148091
PNG
(6-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-chroman-...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2OC(CCc2c1)C(O)=O
Show InChI InChI=1S/C29H32O6/c1-2-8-21-20-25(34-23-9-4-3-5-10-23)13-15-26(21)33-18-7-6-17-32-24-12-16-27-22(19-24)11-14-28(35-27)29(30)31/h3-5,9-10,12-13,15-16,19-20,28H,2,6-8,11,14,17-18H2,1H3,(H,30,31)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148105
PNG
(2-Ethyl-7-{3-[4-(4-methoxy-phenoxy)-2-propyl-pheno...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C31H36O7/c1-4-7-23-20-27(37-25-12-10-24(34-3)11-13-25)14-15-28(23)36-19-6-18-35-26-9-8-22-16-17-31(5-2,30(32)33)38-29(22)21-26/h8-15,20-21H,4-7,16-19H2,1-3H3,(H,32,33)
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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 for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor delta (PPAR delta)


(Homo sapiens (Human))
BDBM50148098
PNG
((S)-7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-m...)
Show SMILES C[C@]1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)/t26-/m0/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human Peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148104
PNG
(2-Ethyl-7-[3-(4-phenoxy-phenoxy)-propoxy]-chroman-...)
Show SMILES CCC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3)cc2O1)C(O)=O
Show InChI InChI=1S/C27H28O6/c1-2-27(26(28)29)16-15-20-9-10-24(19-25(20)33-27)31-18-6-17-30-21-11-13-23(14-12-21)32-22-7-4-3-5-8-22/h3-5,7-14,19H,2,6,15-18H2,1H3,(H,28,29)
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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 for human peroxisome proliferator activated receptor gamma using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148107
PNG
(2-Ethyl-7-{3-[4-(4-methanesulfonyl-phenoxy)-2-prop...)
Show SMILES CCCc1cc(Oc2ccc(cc2)S(C)(=O)=O)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C31H36O8S/c1-4-7-23-20-26(38-24-10-13-27(14-11-24)40(3,34)35)12-15-28(23)37-19-6-18-36-25-9-8-22-16-17-31(5-2,30(32)33)39-29(22)21-25/h8-15,20-21H,4-7,16-19H2,1-3H3,(H,32,33)
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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 for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148098
PNG
((S)-7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-m...)
Show SMILES C[C@]1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)/t26-/m0/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148103
PNG
(6-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-chroman...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2OC(CCc2c1)C(O)=O
Show InChI InChI=1S/C28H30O6/c1-2-7-20-19-24(33-22-8-4-3-5-9-22)12-14-25(20)32-17-6-16-31-23-11-15-26-21(18-23)10-13-27(34-26)28(29)30/h3-5,8-9,11-12,14-15,18-19,27H,2,6-7,10,13,16-17H2,1H3,(H,29,30)
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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 for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR 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/a 1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148093
PNG
(2-Methyl-7-[4-(4-phenoxy-2-propyl-phenoxy)-butoxy]...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2CCC(C)(Oc2c1)C(O)=O
Show InChI InChI=1S/C30H34O6/c1-3-9-23-20-26(35-24-10-5-4-6-11-24)14-15-27(23)34-19-8-7-18-33-25-13-12-22-16-17-30(2,29(31)32)36-28(22)21-25/h4-6,10-15,20-21H,3,7-9,16-19H2,1-2H3,(H,31,32)
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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 for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148111
PNG
((S)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m0/s1
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n/an/a>1.50E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro binding affinity for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148099
PNG
(7-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-chroman-...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2CCC(Oc2c1)C(O)=O
Show InChI InChI=1S/C29H32O6/c1-2-8-22-19-25(34-23-9-4-3-5-10-23)14-16-26(22)33-18-7-6-17-32-24-13-11-21-12-15-27(29(30)31)35-28(21)20-24/h3-5,9-11,13-14,16,19-20,27H,2,6-8,12,15,17-18H2,1H3,(H,30,31)
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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 for human peroxisome proliferator activated receptor alpha using scintillation proximity assay (SPA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148093
PNG
(2-Methyl-7-[4-(4-phenoxy-2-propyl-phenoxy)-butoxy]...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2CCC(C)(Oc2c1)C(O)=O
Show InChI InChI=1S/C30H34O6/c1-3-9-23-20-26(35-24-10-5-4-6-11-24)14-15-27(23)34-19-8-7-18-33-25-13-12-22-16-17-30(2,29(31)32)36-28(22)21-25/h4-6,10-15,20-21H,3,7-9,16-19H2,1-2H3,(H,31,32)
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n/an/an/an/a 5.20E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation ass...


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148089
PNG
(2-Methyl-7-[3-(4-phenoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(C)(Oc2c1)C(O)=O
Show InChI InChI=1S/C29H32O6/c1-3-8-22-19-25(34-23-9-5-4-6-10-23)13-14-26(22)33-18-7-17-32-24-12-11-21-15-16-29(2,28(30)31)35-27(21)20-24/h4-6,9-14,19-20H,3,7-8,15-18H2,1-2H3,(H,30,31)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Canis familiaris)
BDBM50148090
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1
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n/an/an/an/a 110n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transcriptional activation by PPAR alpha


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148097
PNG
(7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-ethyl...)
Show SMILES CCC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H27ClO6/c1-2-27(26(29)30)14-13-19-9-10-21(18-25(19)34-27)31-15-6-16-32-24-12-11-22(17-23(24)28)33-20-7-4-3-5-8-20/h3-5,7-12,17-18H,2,6,13-16H2,1H3,(H,29,30)
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n/an/an/an/a 160n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148108
PNG
(7-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-chroman...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(Oc2c1)C(O)=O
Show InChI InChI=1S/C28H30O6/c1-2-7-21-18-24(33-22-8-4-3-5-9-22)13-15-25(21)32-17-6-16-31-23-12-10-20-11-14-26(28(29)30)34-27(20)19-23/h3-5,8-10,12-13,15,18-19,26H,2,6-7,11,14,16-17H2,1H3,(H,29,30)
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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 potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation ass...


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148096
PNG
(2-Ethyl-7-[3-(2-fluoro-4-phenoxy-phenoxy)-propoxy]...)
Show SMILES CCC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3F)cc2O1)C(O)=O
Show InChI InChI=1S/C27H27FO6/c1-2-27(26(29)30)14-13-19-9-10-21(18-25(19)34-27)31-15-6-16-32-24-12-11-22(17-23(24)28)33-20-7-4-3-5-8-20/h3-5,7-12,17-18H,2,6,13-16H2,1H3,(H,29,30)
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n/an/an/an/a 50n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation ass...


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148097
PNG
(7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-ethyl...)
Show SMILES CCC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H27ClO6/c1-2-27(26(29)30)14-13-19-9-10-21(18-25(19)34-27)31-15-6-16-32-24-12-11-22(17-23(24)28)33-20-7-4-3-5-8-20/h3-5,7-12,17-18H,2,6,13-16H2,1H3,(H,29,30)
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n/an/an/an/a 30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation ass...


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transcriptional activation by human PPAR gamma Gal4 chimera


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148111
PNG
((S)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m0/s1
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n/an/an/an/a 6.10E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation ass...


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha


(Mus musculus)
BDBM50148090
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1
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n/an/an/an/a>3.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transcriptional activation by human PPAR alpha Gal4 chimera


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148102
PNG
(7-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-propo...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C30H33ClO6/c1-3-6-22-19-26(36-24-11-8-23(31)9-12-24)13-14-27(22)35-18-5-17-34-25-10-7-21-15-16-30(4-2,29(32)33)37-28(21)20-25/h7-14,19-20H,3-6,15-18H2,1-2H3,(H,32,33)
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n/an/an/an/a 670n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(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 potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148108
PNG
(7-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-chroman...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(Oc2c1)C(O)=O
Show InChI InChI=1S/C28H30O6/c1-2-7-21-18-24(33-22-8-4-3-5-9-22)13-15-25(21)32-17-6-16-31-23-12-10-20-11-14-26(28(29)30)34-27(20)19-23/h3-5,8-10,12-13,15,18-19,26H,2,6-7,11,14,16-17H2,1H3,(H,29,30)
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n/an/an/an/a 7.30E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148089
PNG
(2-Methyl-7-[3-(4-phenoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(C)(Oc2c1)C(O)=O
Show InChI InChI=1S/C29H32O6/c1-3-8-22-19-25(34-23-9-5-4-6-10-23)13-14-26(22)33-18-7-17-32-24-12-11-21-15-16-29(2,28(30)31)35-27(21)20-24/h4-6,9-14,19-20H,3,7-8,15-18H2,1-2H3,(H,30,31)
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n/an/an/an/a 100n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation ass...


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148090
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1
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n/an/an/an/a 200n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transcriptional activation by PPAR gamma


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148106
PNG
(2-Ethyl-7-{3-[4-(4-fluoro-phenoxy)-2-propyl-phenox...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C30H33FO6/c1-3-6-22-19-26(36-24-11-8-23(31)9-12-24)13-14-27(22)35-18-5-17-34-25-10-7-21-15-16-30(4-2,29(32)33)37-28(21)20-25/h7-14,19-20H,3-6,15-18H2,1-2H3,(H,32,33)
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n/an/an/an/a 750n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148104
PNG
(2-Ethyl-7-[3-(4-phenoxy-phenoxy)-propoxy]-chroman-...)
Show SMILES CCC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3)cc2O1)C(O)=O
Show InChI InChI=1S/C27H28O6/c1-2-27(26(28)29)16-15-20-9-10-24(19-25(20)33-27)31-18-6-17-30-21-11-13-23(14-12-21)32-22-7-4-3-5-8-22/h3-5,7-14,19H,2,6,15-18H2,1H3,(H,28,29)
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n/an/an/an/a 220n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation ass...


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148105
PNG
(2-Ethyl-7-{3-[4-(4-methoxy-phenoxy)-2-propyl-pheno...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C31H36O7/c1-4-7-23-20-27(37-25-12-10-24(34-3)11-13-25)14-15-28(23)36-19-6-18-35-26-9-8-22-16-17-31(5-2,30(32)33)38-29(22)21-26/h8-15,20-21H,4-7,16-19H2,1-3H3,(H,32,33)
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n/an/an/an/a 890n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transcriptional activation by PPAR alpha


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148110
PNG
((R)-7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-m...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)/t26-/m1/s1
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n/an/an/an/a 80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transcriptional activation by human PPAR gamma Gal4 chimera


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148110
PNG
((R)-7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-m...)
Show SMILES C[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)/t26-/m1/s1
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation ass...


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148099
PNG
(7-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-chroman-...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2CCC(Oc2c1)C(O)=O
Show InChI InChI=1S/C29H32O6/c1-2-8-22-19-25(34-23-9-4-3-5-10-23)14-16-26(22)33-18-7-6-17-32-24-13-11-21-12-15-27(29(30)31)35-28(21)20-24/h3-5,9-11,13-14,16,19-20,27H,2,6-8,12,15,17-18H2,1H3,(H,30,31)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148107
PNG
(2-Ethyl-7-{3-[4-(4-methanesulfonyl-phenoxy)-2-prop...)
Show SMILES CCCc1cc(Oc2ccc(cc2)S(C)(=O)=O)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C31H36O8S/c1-4-7-23-20-26(38-24-10-13-27(14-11-24)40(3,34)35)12-15-28(23)37-19-6-18-36-25-9-8-22-16-17-31(5-2,30(32)33)39-29(22)21-25/h8-15,20-21H,4-7,16-19H2,1-3H3,(H,32,33)
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n/an/an/an/a 2.80E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148098
PNG
((S)-7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-m...)
Show SMILES C[C@]1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)/t26-/m0/s1
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n/an/an/an/a 7.60E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148104
PNG
(2-Ethyl-7-[3-(4-phenoxy-phenoxy)-propoxy]-chroman-...)
Show SMILES CCC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3)cc2O1)C(O)=O
Show InChI InChI=1S/C27H28O6/c1-2-27(26(28)29)16-15-20-9-10-24(19-25(20)33-27)31-18-6-17-30-21-11-13-23(14-12-21)32-22-7-4-3-5-8-22/h3-5,7-14,19H,2,6,15-18H2,1H3,(H,28,29)
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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 transcriptional activation by human PPAR gamma Gal4 chimera


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148093
PNG
(2-Methyl-7-[4-(4-phenoxy-2-propyl-phenoxy)-butoxy]...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2CCC(C)(Oc2c1)C(O)=O
Show InChI InChI=1S/C30H34O6/c1-3-9-23-20-26(35-24-10-5-4-6-11-24)14-15-27(23)34-19-8-7-18-33-25-13-12-22-16-17-30(2,29(31)32)36-28(22)21-25/h4-6,10-15,20-21H,3,7-9,16-19H2,1-2H3,(H,31,32)
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n/an/an/an/a 3.60E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148105
PNG
(2-Ethyl-7-{3-[4-(4-methoxy-phenoxy)-2-propyl-pheno...)
Show SMILES CCCc1cc(Oc2ccc(OC)cc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C31H36O7/c1-4-7-23-20-27(37-25-12-10-24(34-3)11-13-25)14-15-28(23)36-19-6-18-35-26-9-8-22-16-17-31(5-2,30(32)33)38-29(22)21-26/h8-15,20-21H,4-7,16-19H2,1-3H3,(H,32,33)
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n/an/an/an/a 4.60E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation ass...


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148103
PNG
(6-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-chroman...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2OC(CCc2c1)C(O)=O
Show InChI InChI=1S/C28H30O6/c1-2-7-20-19-24(33-22-8-4-3-5-9-22)12-14-25(20)32-17-6-16-31-23-11-15-26-21(18-23)10-13-27(34-26)28(29)30/h3-5,8-9,11-12,14-15,18-19,27H,2,6-7,10,13,16-17H2,1H3,(H,29,30)
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n/an/an/an/a 2.80E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation ass...


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148092
PNG
(7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-methy...)
Show SMILES CC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)
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n/an/an/an/a 80n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation ass...


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148095
PNG
(2-Methyl-6-[4-(4-phenoxy-2-propyl-phenoxy)-butoxy]...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2OC(C)(CCc2c1)C(O)=O
Show InChI InChI=1S/C30H34O6/c1-3-9-22-21-26(35-24-10-5-4-6-11-24)13-14-27(22)34-19-8-7-18-33-25-12-15-28-23(20-25)16-17-30(2,36-28)29(31)32/h4-6,10-15,20-21H,3,7-9,16-19H2,1-2H3,(H,31,32)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148101
PNG
(2-Methyl-6-[3-(4-phenoxy-2-propyl-phenoxy)-propoxy...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2OC(C)(CCc2c1)C(O)=O
Show InChI InChI=1S/C29H32O6/c1-3-8-21-20-25(34-23-9-5-4-6-10-23)12-13-26(21)33-18-7-17-32-24-11-14-27-22(19-24)15-16-29(2,35-27)28(30)31/h4-6,9-14,19-20H,3,7-8,15-18H2,1-2H3,(H,30,31)
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n/an/an/an/a 6.80E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148111
PNG
((S)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m0/s1
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n/an/an/an/a 5.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transcriptional activation by human PPAR gamma Gal4 chimera


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148098
PNG
((S)-7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-m...)
Show SMILES C[C@]1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)/t26-/m0/s1
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n/an/an/an/a 4.20E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation ass...


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148099
PNG
(7-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-chroman-...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2CCC(Oc2c1)C(O)=O
Show InChI InChI=1S/C29H32O6/c1-2-8-22-19-25(34-23-9-4-3-5-10-23)14-16-26(22)33-18-7-6-17-32-24-13-11-21-12-15-27(29(30)31)35-28(21)20-24/h3-5,9-11,13-14,16,19-20,27H,2,6-8,12,15,17-18H2,1H3,(H,30,31)
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n/an/an/an/a 6.30E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation ass...


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148109
PNG
(7-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-2-propy...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(CCC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C31H36O6/c1-3-9-24-21-27(36-25-10-6-5-7-11-25)14-15-28(24)35-20-8-19-34-26-13-12-23-16-18-31(17-4-2,30(32)33)37-29(23)22-26/h5-7,10-15,21-22H,3-4,8-9,16-20H2,1-2H3,(H,32,33)
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n/an/an/an/a 830n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148102
PNG
(7-{3-[4-(4-Chloro-phenoxy)-2-propyl-phenoxy]-propo...)
Show SMILES CCCc1cc(Oc2ccc(Cl)cc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C30H33ClO6/c1-3-6-22-19-26(36-24-11-8-23(31)9-12-24)13-14-27(22)35-18-5-17-34-25-10-7-21-15-16-30(4-2,29(32)33)37-28(21)20-25/h7-14,19-20H,3-6,15-18H2,1-2H3,(H,32,33)
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n/an/an/an/a 210n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation ass...


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148091
PNG
(6-[4-(4-Phenoxy-2-propyl-phenoxy)-butoxy]-chroman-...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1ccc2OC(CCc2c1)C(O)=O
Show InChI InChI=1S/C29H32O6/c1-2-8-21-20-25(34-23-9-4-3-5-10-23)13-15-26(21)33-18-7-6-17-32-24-12-16-27-22(19-24)11-14-28(35-27)29(30)31/h3-5,9-10,12-13,15-16,19-20,28H,2,6-8,11,14,17-18H2,1H3,(H,30,31)
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n/an/an/an/a 2.50E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148094
PNG
(2-Ethyl-7-[3-(4-phenoxy-2-propyl-phenoxy)-propoxy]...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C30H34O6/c1-3-9-23-20-26(35-24-10-6-5-7-11-24)14-15-27(23)34-19-8-18-33-25-13-12-22-16-17-30(4-2,29(31)32)36-28(22)21-25/h5-7,10-15,20-21H,3-4,8-9,16-19H2,1-2H3,(H,31,32)
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n/an/an/an/a 30n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation ass...


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148092
PNG
(7-[3-(2-Chloro-4-phenoxy-phenoxy)-propoxy]-2-methy...)
Show SMILES CC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C26H25ClO6/c1-26(25(28)29)13-12-18-8-9-20(17-24(18)33-26)30-14-5-15-31-23-11-10-21(16-22(23)27)32-19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,12-15H2,1H3,(H,28,29)
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n/an/an/an/a 360n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transcriptional activation by human PPAR gamma Gal4 chimera


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148109
PNG
(7-[3-(4-Phenoxy-2-propyl-phenoxy)-propoxy]-2-propy...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(CCC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C31H36O6/c1-3-9-24-21-27(36-25-10-6-5-7-11-25)14-15-28(24)35-20-8-19-34-26-13-12-23-16-18-31(17-4-2,30(32)33)37-29(23)22-26/h5-7,10-15,21-22H,3-4,8-9,16-20H2,1-2H3,(H,32,33)
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n/an/an/an/a 120n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation ass...


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148094
PNG
(2-Ethyl-7-[3-(4-phenoxy-2-propyl-phenoxy)-propoxy]...)
Show SMILES CCCc1cc(Oc2ccccc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C30H34O6/c1-3-9-23-20-26(35-24-10-6-5-7-11-24)14-15-27(23)34-19-8-18-33-25-13-12-22-16-17-30(4-2,29(31)32)36-28(22)21-25/h5-7,10-15,20-21H,3-4,8-9,16-19H2,1-2H3,(H,31,32)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human PPAR gamma receptor using chimeric Gal4-hPPAR transactivation assay (TA)


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma


(Mus musculus)
BDBM50148090
PNG
((R)-7-{3-[2-Chloro-4-(4-fluoro-phenoxy)-phenoxy]-p...)
Show SMILES CC[C@@]1(CCc2ccc(OCCCOc3ccc(Oc4ccc(F)cc4)cc3Cl)cc2O1)C(O)=O
Show InChI InChI=1S/C27H26ClFO6/c1-2-27(26(30)31)13-12-18-4-7-21(17-25(18)35-27)32-14-3-15-33-24-11-10-22(16-23(24)28)34-20-8-5-19(29)6-9-20/h4-11,16-17H,2-3,12-15H2,1H3,(H,30,31)/t27-/m1/s1
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n/an/an/an/a 150n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transcriptional activation by PPAR gamma


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor


(Homo sapiens (human))
BDBM50148096
PNG
(2-Ethyl-7-[3-(2-fluoro-4-phenoxy-phenoxy)-propoxy]...)
Show SMILES CCC1(CCc2ccc(OCCCOc3ccc(Oc4ccccc4)cc3F)cc2O1)C(O)=O
Show InChI InChI=1S/C27H27FO6/c1-2-27(26(29)30)14-13-19-9-10-21(18-25(19)34-27)31-15-6-16-32-24-12-11-22(17-23(24)28)33-20-7-4-3-5-8-20/h3-5,7-12,17-18H,2,6,13-16H2,1H3,(H,29,30)
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n/an/an/an/a 1.00E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro transcriptional activation by human PPAR gamma Gal4 chimera


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (PPAR alpha)


(Homo sapiens (Human))
BDBM50148106
PNG
(2-Ethyl-7-{3-[4-(4-fluoro-phenoxy)-2-propyl-phenox...)
Show SMILES CCCc1cc(Oc2ccc(F)cc2)ccc1OCCCOc1ccc2CCC(CC)(Oc2c1)C(O)=O
Show InChI InChI=1S/C30H33FO6/c1-3-6-22-19-26(36-24-11-8-23(31)9-12-24)13-14-27(22)35-18-5-17-34-25-10-7-21-15-16-30(4-2,29(32)33)37-28(21)20-25/h7-14,19-20H,3-6,15-18H2,1-2H3,(H,32,33)
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n/an/an/an/a 10n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency of PPAR gene activation against human Peroxisome proliferator activated receptor alpha using chimeric Gal4-hPPAR transactivation ass...


J Med Chem 47: 3255-63 (2004)


Article DOI: 10.1021/jm030621d
BindingDB Entry DOI: 10.7270/Q2JW8DB1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%